FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Maslov, S
Sneppen, K
AF Maslov, Sergei
Sneppen, Kim
TI Diversity Waves in Collapse-Driven Population Dynamics
SO PLOS COMPUTATIONAL BIOLOGY
LA English
DT Article
ID SPECIES ABUNDANCE DISTRIBUTIONS; SELF-ORGANIZED CRITICALITY; BACTERIAL
PERSISTENCE; PHAGE; MODEL; COMMUNITIES; GROWTH; BACTERIOPHAGES;
EXTINCTION; EVOLUTION
AB Populations of species in ecosystems are often constrained by availability of resources within their environment. In effect this means that a growth of one population, needs to be balanced by comparable reduction in populations of others. In neutral models of biodiversity all populations are assumed to change incrementally due to stochastic births and deaths of individuals. Here we propose and model another redistribution mechanism driven by abrupt and severe reduction in size of the population of a single species freeing up resources for the remaining ones. This mechanism may be relevant e.g. for communities of bacteria, with strain-specific collapses caused e.g. by invading bacteriophages, or for other ecosystems where infectious diseases play an important role. The emergent dynamics of our system is characterized by cyclic "diversity waves'' triggered by collapses of globally dominating populations. The population diversity peaks at the beginning of each wave and exponentially decreases afterwards. Species abundances have bimodal time-aggregated distribution with the lower peak formed by populations of recently collapsed or newly introduced species while the upper peak - species that has not yet collapsed in the current wave. In most waves both upper and lower peaks are composed of several smaller peaks. This self-organized hierarchical peak structure has a long-term memory transmitted across several waves. It gives rise to a scale-free tail of the time-aggregated population distribution with a universal exponent of 1.7. We show that diversity wave dynamics is robust with respect to variations in the rules of our model such as diffusion between multiple environments, species-specific growth and extinction rates, and bet-hedging strategies.
C1 [Maslov, Sergei] Univ Illinois, Dept Bioengn, Champaign, IL 60607 USA.
[Maslov, Sergei] Univ Illinois, Carl R Woese Inst Genom Biol, Champaign, IL USA.
[Maslov, Sergei] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA.
[Sneppen, Kim] Univ Copenhagen, Niels Bohr Inst, Ctr Models Life, DK-2100 Copenhagen, Denmark.
RP Maslov, S (reprint author), Univ Illinois, Dept Bioengn, Champaign, IL 60607 USA.
EM ssmaslov@gmail.com
OI Sneppen, Kim/0000-0001-9820-3567; Maslov, Sergei/0000-0002-3701-492X
FU Office of Biological Research of the U.S. Department of Energy [PM-031];
Danish National Research Foundation
FX Work at Brookhaven was supported by grants PM-031 from the Office of
Biological Research of the U.S. Department of Energy. Work at Copenhagen
was supported by Danish National Research Foundation. The funders played
no role in study design, data collection and analysis, decision to
publish, or preparation of the manuscript.
NR 49
TC 2
Z9 2
U1 1
U2 9
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1553-734X
EI 1553-7358
J9 PLOS COMPUT BIOL
JI PLoS Comput. Biol.
PD SEP
PY 2015
VL 11
IS 9
AR e1004440
DI 10.1371/journal.pcbi.1004440
PG 15
WC Biochemical Research Methods; Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Mathematical & Computational Biology
GA CS7LZ
UT WOS:000362266400026
PM 26367172
ER
PT J
AU al-Wahish, A
Armitage, D
al-Binni, U
Hill, B
Mills, R
Jalarvo, N
Santodonato, L
Herwig, KW
Mandrus, D
AF al-Wahish, Amal
Armitage, D.
al-Binni, U.
Hill, B.
Mills, R.
Jalarvo, N.
Santodonato, L.
Herwig, K. W.
Mandrus, D.
TI A new apparatus design for high temperature (up to 950 degrees C)
quasi-elastic neutron scattering in a controlled gaseous environment
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID SR-DOPED LAPO4; PROTON CONDUCTORS; DYNAMICS
AB A design for a sample cell system suitable for high temperature Quasi-Elastic Neutron Scattering (QENS) experiments is presented. The apparatus was developed at the Spallation Neutron Source in Oak Ridge National Lab where it is currently in use. The design provides a special sample cell environment under controlled humid or dry gas flow over a wide range of temperature up to 950 degrees C. Using such a cell, chemical, dynamical, and physical changes can be studied in situ under various operating conditions. While the cell combined with portable automated gas environment system is especially useful for in situ studies of microscopic dynamics under operational conditions that are similar to those of solid oxide fuel cells, it can additionally be used to study a wide variety of materials, such as high temperature proton conductors. The cell can also be used in many different neutron experiments when a suitable sample holder material is selected. The sample cell system has recently been used to reveal fast dynamic processes in quasi-elastic neutron scattering experiments, which standard probes (such as electrochemical impedance spectroscopy) could not detect. In this work, we outline the design of the sample cell system and present results demonstrating its abilities in high temperature QENS experiments. (C) 2015 AIP Publishing LLC.
C1 [al-Wahish, Amal; Mandrus, D.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Armitage, D.; Hill, B.; Mills, R.; Santodonato, L.; Herwig, K. W.] Oak Ridge Natl Lab, Instrument & Source Design Div, Oak Ridge, TN 37861 USA.
[al-Binni, U.] Berry Coll, Dept Phys Astron & Geol, Mt Berry, GA 30149 USA.
[Jalarvo, N.] Forschungszentrum Julich, Julich Ctr Neutron Sci, Outstn Spallat Neutron Source SNS, Oak Ridge, TN 37831 USA.
[Jalarvo, N.] Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
[Mandrus, D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Mandrus, D.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP al-Wahish, A (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
RI Mandrus, David/H-3090-2014; Jalarvo, Niina/Q-1320-2015; Santodonato,
Louis/A-9523-2015
OI Jalarvo, Niina/0000-0003-0644-6866; Santodonato,
Louis/0000-0002-4600-685X
FU U.S. Department of Energy (DOE); Basic Sciences (BES) and the Materials
Sciences and Engineering Division; Research Centre of Julich; Berry
College; Scientific User Facilities Division, Office of Basic Energy
Sciences, US Department of Energy
FX This work of A.A.W. and D.M. was supported by the U.S. Department of
Energy (DOE). The Basic Sciences (BES) and the Materials Sciences and
Engineering Division supported the work of A.A.W. Support also came from
the Research Centre of Julich (N.J.). U.A.B.'s work was supported by an
internal grant from Berry College. The research at ORNL's Spallation
Neutron Source was sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, US Department of Energy.
NR 31
TC 1
Z9 1
U1 3
U2 17
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 095102
DI 10.1063/1.4929580
PG 9
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300054
PM 26429475
ER
PT J
AU Bonetti, S
Kukreja, R
Chen, Z
Spoddig, D
Ollefs, K
Schoppner, C
Meckenstock, R
Ney, A
Pinto, J
Houanche, R
Frisch, J
Stohr, J
Durr, HA
Ohldag, H
AF Bonetti, Stefano
Kukreja, Roopali
Chen, Zhao
Spoddig, Detlef
Ollefs, Katharina
Schoeppner, Christian
Meckenstock, Ralf
Ney, Andreas
Pinto, Jude
Houanche, Richard
Frisch, Josef
Stoehr, Joachim
Duerr, Hermann A.
Ohldag, Hendrik
TI Microwave soft x-ray microscopy for nanoscale magnetization dynamics in
the 5-10 GHz frequency range
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID SPIN-WAVES; EXCITATION; RESONANCE
AB We present a scanning transmission x-ray microscopy setup combined with a novel microwave synchronization scheme for studying high frequency magnetization dynamics at synchrotron light sources. The sensitivity necessary to detect small changes in the magnetization on short time scales and nanometer spatial dimensions is achieved by combining the excitation mechanism with single photon counting electronics that is locked to the synchrotron operation frequency. Our instrument is capable of creating direct images of dynamical phenomena in the 5-10 GHz range, with high spatial resolution. When used together with circularly polarized x-rays, the above capabilities can be combined to study magnetic phenomena at microwave frequencies, such as ferromagnetic resonance (FMR) and spin waves. We demonstrate the capabilities of our technique by presenting phase resolved images of a similar to 6 GHz nanoscale spin wave generated by a spin torque oscillator, as well as the uniform ferromagnetic precession with similar to 0.1 degrees amplitude at similar to 9 GHz in a micrometer-sized cobalt strip. (C) 2015 AIP Publishing LLC.
C1 [Bonetti, Stefano; Chen, Zhao] Stanford Univ, Dept Phys, Stanford, CA 94305 USA.
[Bonetti, Stefano; Kukreja, Roopali; Chen, Zhao; Stoehr, Joachim; Duerr, Hermann A.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA.
[Kukreja, Roopali] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA.
[Spoddig, Detlef; Ollefs, Katharina; Schoeppner, Christian; Meckenstock, Ralf; Ney, Andreas] Univ Duisburg Essen, Inst Expt Phys, Duisburg, Germany.
[Ollefs, Katharina] European Synchrotron Radiat Facil, F-38043 Grenoble, France.
[Ney, Andreas] Johannes Kepler Univ Linz, Div Solid State Phys, A-4040 Linz, Austria.
[Pinto, Jude; Houanche, Richard; Frisch, Josef] SLAC Natl Accelerator Lab, Linear Coherent Light Source, Menlo Pk, CA 94025 USA.
[Ohldag, Hendrik] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA.
RP Bonetti, S (reprint author), Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden.
EM bonetti@slac.stanford.edu
RI Durr, Hermann/F-6205-2012; Bonetti, Stefano/A-9737-2009; Ohldag,
Hendrik/F-1009-2014; Ollefs, Katharina/F-5677-2016;
OI Bonetti, Stefano/0000-0001-9352-2411; Ollefs,
Katharina/0000-0002-2301-4670; Ney, Andreas/0000-0002-2388-6006
FU Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division [DE-AC02-76SF00515]; U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-76SF00515]; Knut and Alice Wallenberg Foundation
FX We are very grateful to Sergei Urazhdin at Emory University for
fabricating the samples for the spin wave measurements. This work is
supported by the Department of Energy, Office of Science, Basic Energy
Sciences, Materials Sciences and Engineering Division, under Contract
No. DE-AC02-76SF00515. Use of the Stanford Synchrotron Radiation
Lightsource, SLAC National Accelerator Laboratory, is supported by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences under Contract No. DE-AC02-76SF00515. Stefano Bonetti
gratefully acknowledges support from the Knut and Alice Wallenberg
Foundation.
NR 27
TC 3
Z9 3
U1 6
U2 14
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 093703
DI 10.1063/1.4930007
PG 9
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300023
PM 26429444
ER
PT J
AU Du, ZX
Gu, TT
Dobrosavljevic, V
Weir, ST
Falabella, S
Lee, KKM
AF Du, Zhixue
Gu, Tingting
Dobrosavljevic, Vasilije
Weir, Samuel T.
Falabella, Steve
Lee, Kanani K. M.
TI Using stepped anvils to make even insulation layers in laser-heated
diamond-anvil cell samples
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID LOWER MANTLE
AB We describe a method to make even insulation layers for high-pressure laser-heated diamond-anvil cell samples using stepped anvils. The method works for both single-sided and double-sided laser heating using solid or fluid insulation. The stepped anvils are used as matched pairs or paired with a flat culet anvil to make gasket insulation layers and not actually used at high pressures; thus, their longevity is ensured. We compare the radial temperature gradients and Soret diffusion of iron between self-insulating samples and samples produced with stepped anvils and find that less pronounced Soret diffusion occurs in samples with even insulation layers produced by stepped anvils. (C) 2015 AIP Publishing LLC.
C1 [Du, Zhixue; Gu, Tingting; Dobrosavljevic, Vasilije; Lee, Kanani K. M.] Yale Univ, Dept Geol & Geophys, New Haven, CT 06520 USA.
[Weir, Samuel T.; Falabella, Steve] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Du, ZX (reprint author), Yale Univ, Dept Geol & Geophys, POB 6666, New Haven, CT 06520 USA.
FU YINQE; NSF MRSEC [DMR 1119826]; U.S. Department of Energy, Office of
Basic Energy Sciences [DE-AC02-98CH10886]; NSF [EAR-1321956,
EAR-0955824]
FX We thank M. Rooks and F. Camino for FIB help; Z. Jiang for SEM
assistance; J. Girard, G. Amulele, W. Samela, and C. Fiederlein for
technical support. Facilities' use was supported by YINQE and NSF MRSEC
DMR 1119826. Research carried out in part at the Center for Functional
Nanomaterials, Brookhaven National Laboratory, which is supported by the
U.S. Department of Energy, Office of Basic Energy Sciences, under
Contract No. DE-AC02-98CH10886. This work was funded in part by NSF
(Grant Nos. EAR-1321956 and EAR-0955824).
NR 20
TC 1
Z9 1
U1 0
U2 10
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 095103
DI 10.1063/1.4929667
PG 6
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300055
PM 26429476
ER
PT J
AU Groll, N
Pellin, MJ
Zasadzinksi, JF
Proslier, T
AF Groll, Nickolas
Pellin, Michael J.
Zasadzinksi, John F.
Proslier, Thomas
TI Point contact tunneling spectroscopy apparatus for large scale mapping
of surface superconducting properties
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID ENERGY-GAP; CONDUCTANCE; NIOBIUM; TIPS; NB
AB We describe the design and testing of a point contact tunneling spectroscopy device that can measure material surface superconducting properties (i.e., the superconducting gap. and the critical temperature T-C) and density of states over large surface areas with size up to mm(2). The tip lateral (X, Y) motion, mounted on a (X, Y, Z) piezo-stage, was calibrated on a patterned substrate consisting of Nb lines sputtered on a gold film using both normal (Al) and superconducting (PbSn) tips at 1.5 K. The tip vertical (Z) motion control enables some adjustment of the tip-sample junction resistance that can be measured over 7 orders of magnitudes from a quasi-ohmic regime (few hundred Omega) to the tunnel regime (from tens of k Omega up to few G Omega). The low noise electronic and LabVIEW program interface are also presented. The point contact regime and the large-scale motion capabilities are of particular interest for mapping and testing the superconducting properties of macroscopic scale superconductor-based devices. (C) 2015 AIP Publishing LLC.
C1 [Groll, Nickolas; Pellin, Michael J.; Proslier, Thomas] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Zasadzinksi, John F.] IIT, Chicago, IL 60616 USA.
[Proslier, Thomas] Argonne Natl Lab, Div High Energy Phys, Lemont, IL 60439 USA.
RP Groll, N (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM prolier@anl.gov
RI Pellin, Michael/B-5897-2008
OI Pellin, Michael/0000-0002-8149-9768
FU Department of Energy, Office of Sciences, Office of High Energy Physics,
Early Career Award [FWP 50335]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, and Office of Science User
Facility [DE-AC02-06CH11357]
FX This work was funded by the Department of Energy, Office of Sciences,
Office of High Energy Physics, Early Career Award No. FWP 50335. Use of
the Center for Nanoscale Materials and resources of the Advanced Photon
Source was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, and Office of Science User
Facility, under Contract No. DE-AC02-06CH11357.
NR 46
TC 1
Z9 1
U1 0
U2 11
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 095111
DI 10.1063/1.4931066
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300063
PM 26429484
ER
PT J
AU Ichimaru, S
Takenaka, H
Namikawa, K
Gullikson, EM
Maruyama, M
Oku, S
AF Ichimaru, S.
Takenaka, H.
Namikawa, K.
Gullikson, E. M.
Maruyama, M.
Oku, S.
TI Demonstration of the high collection efficiency of a broadband Mo/Si
multilayer mirror with a graded multilayer coating on an ellipsoidal
substrate
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID EXTREME-ULTRAVIOLET LITHOGRAPHY; X-RAY TELESCOPE; LIGHT; LASER
AB A graded and broadband Mo/Si multilayer mirror for EUV spectroscopy is demonstrated. This mirror has an average reflectivity profile of 16% in the wavelength region from 15 nm to 17 nm and an effective area of 1100-1500 mm(2). This reflectivity is about 4 times larger than that of a standard Mo/Si multilayer mirror on a 1 in. diameter substrate, showing that the mirror can be used for measuring EUV fluorescence at wavelengths in the region around 15 nm to 17 nm. (C) 2015 AIP Publishing LLC.
C1 [Ichimaru, S.; Takenaka, H.; Oku, S.] NTT Adv Technol Corp, Atsugi, Kanagawa 2430124, Japan.
[Namikawa, K.] Tokyo Gakugei Univ, Koganei, Tokyo 1848501, Japan.
[Gullikson, E. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Maruyama, M.] Japan Atom Energy Agcy, Quantum Beam Sci Ctr, Kizugawa, Kyoto 6190215, Japan.
RP Ichimaru, S (reprint author), NTT Adv Technol Corp, 3-1 Morinosato Wakamiya, Atsugi, Kanagawa 2430124, Japan.
EM satoshi.ichimaru@ntt-at.co.jp
NR 19
TC 1
Z9 1
U1 2
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 093106
DI 10.1063/1.4929708
PG 7
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300007
PM 26429428
ER
PT J
AU Kemp, GE
Link, A
Ping, Y
Ayers, S
Patel, PK
AF Kemp, G. E.
Link, A.
Ping, Y.
Ayers, S.
Patel, P. K.
TI Commissioning of a frequency-resolved optical gating system at the OMEGA
EP laser facility: SpecFROG
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID SINGLE-SHOT MEASUREMENT; ULTRASHORT PULSES; PLASMA INTERACTIONS; PHASE;
INTENSITY; SIMULATION; GENERATION; TRANSPORT; IGNITION; TARGETS
AB We present the design and commissioning of a new single-shot, frequency-resolved optical gating system on the OMEGA EP laser facility - dubbed "SPECFROG" - for characterizing the instantaneous intensity and phase of similar to 10 ps pulses used to study ultra-intense laser-plasma interactions. A polarization-gating geometry is employed to ensure tha the diagnostic is broadband and has unambiguous time directionality. SPECFROG is capable of characterizing similar to 10 s of mJ pulses with durations between 0.5-25 ps with less than or similar to 285 fs geometrical temporal blurring and similar to 0.1% spectral shift resolutions over an adjustable total spectral shifting window of similar to 15% of the carrier wavelength lambda(o); configurations currently exist for both the fundamental (1 omega, lambda(o) = 1.054 mu m) and second harmonic (2 omega, lambda(o) = 0.527 mu m) of the EP pulse. Initial specular reflectivity measurements of the similar to 1 kJ, similar to 10 ps OMEGA EP laser off solid density aluminum targets suggest drastically different scalings for specular pulse properties compared to picosecond-scale pulses of comparable intensities. (C) 2015 AIP Publishing LLC.
C1 [Kemp, G. E.; Link, A.; Ping, Y.; Ayers, S.; Patel, P. K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Kemp, GE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM kemp10@llnl.gov
RI Patel, Pravesh/E-1400-2011
FU DOE [DE-AC52-07NA27344]; Lawrence Scholar Program, OFES-NNSA Joint
Program in High-Energy-Density Laboratory Plasmas
FX The authors would like to thank C. Source, D. Canning, R. B. Brannon, I.
Begishev, and N. Whiting for all their assistance and input, as well as
the MTW, OMEGA EP, and JLF crews for the lab-space and assistance with
assembly. This work was performed under DOE Contract No.
DE-AC52-07NA27344 with support from the Lawrence Scholar Program,
OFES-NNSA Joint Program in High-Energy-Density Laboratory Plasmas, and
an allocation of experimental time from the University of
Rochester/Laboratory for Laser Energetics Laboratory Basic Science
Program.
NR 40
TC 0
Z9 0
U1 0
U2 10
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 093501
DI 10.1063/1.4929868
PG 7
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300016
PM 26429437
ER
PT J
AU Lin, TY
Anderson, GA
Norheim, RV
Prost, SA
LaMarche, BL
Leach, FE
Auberry, KJ
Smith, RD
Koppenaal, DW
Robinson, EW
Pasa-Tolic, L
AF Lin, T. -Y.
Anderson, G. A.
Norheim, R. V.
Prost, S. A.
LaMarche, B. L.
Leach, F. E., III
Auberry, K. J.
Smith, R. D.
Koppenaal, D. W.
Robinson, E. W.
Pasa-Tolic, L.
TI An adaptable multiple power source for mass spectrometry and other
scientific instruments
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
AB An Adaptable Multiple Power Source (AMPS) system has been designed and constructed. The AMPS system can provide up to 16 direct current (DC) (+/- 400 V;5 mA), 4 radio frequency (RF) (two 500 V-PP sinusoidal signals each, 0.5-5 MHz) channels, 2 high voltage sources (+/- 6 kV), and one similar to 40W, 250 degrees C temperature-regulated heater. The system is controlled by a microcontroller, capable of communicating with its front panel or a computer. It can assign not only pre-saved fixed DC and RF signals but also profiled DC voltages. The AMPS system is capable of driving many mass spectrometry components and ancillary devices and can be adapted to other instrumentation/engineering projects. (C) 2015 AIP Publishing LLC.
C1 [Lin, T. -Y.; Norheim, R. V.; Prost, S. A.; Auberry, K. J.; Koppenaal, D. W.; Robinson, E. W.; Pasa-Tolic, L.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Anderson, G. A.] GAA Custom Engn LLC, Benton City, WA 99320 USA.
[LaMarche, B. L.] Hecate Software Inc, Ft Worth, TX 76110 USA.
[Leach, F. E., III] Photochem Technol, Athens, GA 30602 USA.
[Smith, R. D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA.
[Lin, T. -Y.; LaMarche, B. L.; Leach, F. E., III] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Pasa-Tolic, L (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
EM Ljiljana.PasaTolic@pnnl.gov
RI Smith, Richard/J-3664-2012
OI Smith, Richard/0000-0002-2381-2349
FU "High Resolution Mass Accuracy Capability Development Project";
"Pan-omics Project" of the Department of Energy's Office of Biological
and Environmental Research Genomic Sciences Program; DOE
[DE-AC05-76RLO01830]
FX Portions of this research were supported by the "High Resolution Mass
Accuracy Capability Development Project" and the "Pan-omics Project" of
the Department of Energy's Office of Biological and Environmental
Research Genomic Sciences Program. Work was performed in the
Environmental Molecular Science Laboratory, a U.S. Department of Energy
(DOE) national scientific user facility at Pacific Northwest National
Laboratory (PNNL) in Richland, WA. Battelle operates PNNL for the DOE
under Contract No. DE-AC05-76RLO01830.
NR 9
TC 1
Z9 1
U1 2
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 094102
DI 10.1063/1.4930967
PG 6
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300038
PM 26429459
ER
PT J
AU Palmer, A
Silevitch, DM
Feng, YJ
Wang, YS
Jaramillo, R
Banerjee, A
Ren, Y
Rosenbaum, TF
AF Palmer, A.
Silevitch, D. M.
Feng, Yejun
Wang, Yishu
Jaramillo, R.
Banerjee, A.
Ren, Y.
Rosenbaum, T. F.
TI Sub-Kelvin magnetic and electrical measurements in a diamond anvil cell
with in situ tunability
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID HIGH-PRESSURE; QUANTUM CRITICALITY; SINGLE-CRYSTALS; LOW-TEMPERATURE;
SUPERCONDUCTIVITY; RESISTIVITY; ALLOY; METAL; FERROMAGNETISM; TRANSITION
AB We discuss techniques for performing continuous measurements across a wide range of pressure-field-temperature phase space, combining the milli-Kelvin temperatures of a helium dilution refrigerator with the giga-Pascal pressures of a diamond anvil cell and the Tesla magnetic fields of a superconducting magnet. With a view towards minimizing remnant magnetic fields and background magnetic susceptibility, we characterize high-strength superalloy materials for the pressure cell assembly, which allows high fidelity measurements of low-field phenomena such as superconductivity below 100 mK at pressures above 10 GPa. In situ tunability and measurement of the pressure permit experiments over a wide range of pressure, while at the same time making possible precise steps across abrupt phase transitions such as those from insulator to metal. (C) 2015 AIP Publishing LLC.
C1 [Palmer, A.; Silevitch, D. M.; Feng, Yejun; Wang, Yishu; Rosenbaum, T. F.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Palmer, A.; Silevitch, D. M.; Feng, Yejun; Wang, Yishu; Rosenbaum, T. F.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[Feng, Yejun; Ren, Y.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Jaramillo, R.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02138 USA.
[Banerjee, A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Rosenbaum, T. F.] CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA.
RP Palmer, A (reprint author), Univ Chicago, James Franck Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA.
RI Feng, Yejun/A-5417-2009;
OI Feng, Yejun/0000-0003-3667-056X; Banerjee, Arnab/0000-0002-3088-6071
FU National Science Foundation [DMR-1206519]; NSF [DMR-1420709]; U.S.
Department of Energy Office of Basic Energy Sciences
[DE-FG02-99ER45789]; U.S. Department of Energy Basic Energy Sciences
[DE-AC02-06CH11357]; U.S. Department of Energy Office of Science User
Facility [DE-AC02-06CH11357]
FX We thank V. Struzhkin for providing the 40HNU-VI alloy sample for
testing, J. M. Honig for growing the NiS2 samples, S.
Sinogeikin at HP-CAT (Sector 16) of the Advanced Photon Source for
development of helium diaphragm membranes, and J. S. Schilling for
useful conversations. The work at the University of Chicago was
supported by the National Science Foundation (Grant No. DMR-1206519) and
used MRSEC shared facilities (NSF Grant No. DMR-1420709). D.M.S.
acknowledges support from the U.S. Department of Energy Office of Basic
Energy Sciences (Grant No. DE-FG02-99ER45789). The work at the Advanced
Photon Source of Argonne National Laboratory was supported by the U.S.
Department of Energy Basic Energy Sciences under Contract No.
DE-AC02-06CH11357. SQUID magnetometry measurements were performed in
part at the Center for Nanoscale Materials, a U.S. Department of Energy
Office of Science User Facility, under Contract No. DE-AC02-06CH11357
with the assistance of B. Fisher.
NR 62
TC 2
Z9 2
U1 7
U2 18
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 093901
DI 10.1063/1.4929861
PG 10
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300030
PM 26429451
ER
PT J
AU Shade, PA
Blank, B
Schuren, JC
Turner, TJ
Kenesei, P
Goetze, K
Suter, RM
Bernier, JV
Li, SF
Lind, J
Lienert, U
Almer, J
AF Shade, Paul A.
Blank, Basil
Schuren, Jay C.
Turner, Todd J.
Kenesei, Peter
Goetze, Kurt
Suter, Robert M.
Bernier, Joel V.
Li, Shiu Fai
Lind, Jonathan
Lienert, Ulrich
Almer, Jonathan
TI A rotational and axial motion system load frame insert for in situ high
energy x-ray studies
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID CRYSTAL PLASTICITY; DIFFRACTION MICROSCOPY; TOMOGRAPHIC MICROSCOPY;
POLYCRYSTALLINE COPPER; STRUCTURAL-MATERIALS; SINGLE-GRAIN; 3
DIMENSIONS; DEFORMATION; ORIENTATION; SIMULATIONS
AB High energy x-ray characterization methods hold great potential for gaining insight into the behavior of materials and providing comparison datasets for the validation and development of mesoscale modeling tools. A suite of techniques have been developed by the x-ray community for characterizing the 3D structure and micromechanical state of polycrystalline materials; however, combining these techniques with in situ mechanical testing under well characterized and controlled boundary conditions has been challenging due to experimental design requirements, which demand new high-precision hardware as well as access to high-energy x-ray beamlines. We describe the design and performance of a load frame insert with a rotational and axial motion system that has been developed to meet these requirements. An example dataset from a deforming titanium alloy demonstrates the new capability. (C) 2015 AIP Publishing LLC.
C1 [Shade, Paul A.; Schuren, Jay C.; Turner, Todd J.] Air Force Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA.
[Blank, Basil] PulseRay, Beaver Dams, NY 14812 USA.
[Kenesei, Peter; Goetze, Kurt; Lienert, Ulrich; Almer, Jonathan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Suter, Robert M.; Lind, Jonathan] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA.
[Bernier, Joel V.; Li, Shiu Fai; Lind, Jonathan] Lawrence Livermore Natl Lab, Engn Directorate, Livermore, CA 94550 USA.
RP Shade, PA (reprint author), Air Force Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA.
EM paul.shade.1@us.af.mil
RI Shade, Paul/H-6459-2011; Suter, Robert/P-2541-2014
OI Suter, Robert/0000-0002-0651-0437
FU Materials & Manufacturing Directorate of the U.S. Air Force Research
Laboratory; U.S. DOE [DEAC02-06CH11357]
FX The authors would like to thank Dr. Adam Pilchak (Air Force Research
Laboratory) for providing the Ti-7Al material examined in this study,
Dr. Chris Woodward (Air Force Research Laboratory) for help securing the
computational resources required for the data reduction, Ali Mashayekhi
(Advanced Photon Source) and Erika Benda (Advanced Photon Source) for
help with the experimental setup, and Dr. Dennis Dimiduk (Air Force
Research laboratory) and Professor Matthew Miller (Cornell University)
for useful discussions. The authors acknowledge support from the
Materials & Manufacturing Directorate of the U.S. Air Force Research
Laboratory. Use of the Advanced Photon Source, an Office of Science User
Facility operated for the U.S. Department of Energy (DOE) Office of
Science by Argonne National Laboratory was supported by the U.S. DOE
under Contract No. DEAC02-06CH11357.
NR 53
TC 7
Z9 7
U1 3
U2 23
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 093902
DI 10.1063/1.4927855
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300031
PM 26429452
ER
PT J
AU Tamalonis, A
Weber, JKR
Neuefeind, JC
Carruth, J
Skinner, LB
Alderman, OLG
Benmore, CJ
AF Tamalonis, A.
Weber, J. K. R.
Neuefeind, J. C.
Carruth, J.
Skinner, L. B.
Alderman, O. L. G.
Benmore, C. J.
TI Note: Detector collimators for the nanoscale ordered materials
diffractometer instrument at the Spallation Neutron Source
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
AB Five neutron collimator designs were constructed and tested at the nanoscale ordered materials diffractometer (NOMAD) instrument. Collimators were made from High Density PolyEthylene (HDPE) or 5% borated HDPE. In all cases, collimators improved the signal to background ratio and reduced detection of secondary scattering. In the Q-range 10-20 (angstrom)-(1), signal to background ratio improved by factors of approximately 1.6 and 2.0 for 50 and 100 mm deep collimators, respectively. In the Q-range 40-50 angstrom(-1), the improvement factors were 1.8 and 2.7. Secondary scattering as measured at Q similar to 9.5 angstrom(-1) was significantly decreased when the collimators were installed. (C) 2015 AIP Publishing LLC.
C1 [Tamalonis, A.; Weber, J. K. R.; Skinner, L. B.; Alderman, O. L. G.] Mat Dev Inc, Arlington Hts, IL 60004 USA.
[Weber, J. K. R.; Skinner, L. B.; Alderman, O. L. G.; Benmore, C. J.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Neuefeind, J. C.; Carruth, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
[Skinner, L. B.] SUNY Stony Brook, Stony Brook, NY 11794 USA.
RP Weber, JKR (reprint author), Mat Dev Inc, Arlington Hts, IL 60004 USA.
EM rweber@anl.gov
RI Skinner, Lawrie/I-2603-2012; Neuefeind, Joerg/D-9990-2015;
OI Skinner, Lawrie/0000-0001-7317-1642; Neuefeind,
Joerg/0000-0002-0563-1544; Carruth, John/0000-0002-0868-246X; Weber,
Richard/0000-0002-2145-1279; Benmore, Chris/0000-0001-7007-7749;
Alderman, Oliver/0000-0002-2342-811X
FU DOE [DE-SC0004684]; Scientific User Facilities Division, Office of Basic
Energy Sciences, US Department of Energy
FX This work was funded by DOE Grant No. DE-SC0004684. Research at ORNL's
Spallation Neutron Source was sponsored by the Scientific User
Facilities Division, Office of Basic Energy Sciences, US Department of
Energy.
NR 4
TC 0
Z9 0
U1 1
U2 10
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 096105
DI 10.1063/1.4930279
PG 3
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300071
PM 26429492
ER
PT J
AU Yin, Z
Peters, HB
Hahn, U
Agaker, M
Hage, A
Reininger, R
Siewert, F
Nordgren, J
Viefhaus, J
Techert, S
AF Yin, Z.
Peters, H. B.
Hahn, U.
Agaker, M.
Hage, A.
Reininger, R.
Siewert, F.
Nordgren, J.
Viefhaus, J.
Techert, S.
TI A new compact soft x-ray spectrometer for resonant inelastic x-ray
scattering studies at PETRA III
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID SYNCHROTRON-RADIATION; EMISSION-SPECTROSCOPY; RESOLUTION; SPECTROGRAPH;
EFFICIENCY; DYNAMICS; SPECTRA; LIQUIDS
AB We present a newly designed compact grating spectrometer for the energy range from 210 eV to 1250 eV, which would include the K alpha(1,2) emission lines of vital elements like C, N, and O. The spectrometer is based on a grazing incidence spherical varied line spacing grating with 2400 l/mm at its center and a radius of curvature of 58 542 mm. First, results show a resolving power of around 1000 at an energy of 550 eV and a working spectrometer for high vacuum (10(-4) mbar) environment without losing photon intensity. (C) 2015 AIP Publishing LLC.
C1 [Yin, Z.; Hahn, U.; Hage, A.; Viefhaus, J.; Techert, S.] DESY, Photon Sci, D-22607 Hamburg, Germany.
[Yin, Z.; Techert, S.] Max Planck Inst Biophys Chem, Struct Dynam Biochem Syst, D-37077 Gottingen, Germany.
[Peters, H. B.] DESY, ZM1, D-22607 Hamburg, Germany.
[Agaker, M.; Nordgren, J.] Uppsala Univ, Dept Phys, S-75121 Uppsala, Sweden.
[Hage, A.] Queens Univ Belfast, Sch Math & Phys, Belfast BT7 1NN, Antrim, North Ireland.
[Reininger, R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Siewert, F.] Helmholtz Zentrum Berlin, Inst Nanometre Opt & Technol, D-12489 Berlin, Germany.
[Techert, S.] Univ Gottingen, Inst Xray Phys, D-37077 Gottingen, Germany.
RP Yin, Z (reprint author), DESY, Photon Sci, D-22607 Hamburg, Germany.
EM zhong.yin@desy.de; simone.techert@desy.de
RI Yin, Zhong/B-9403-2017
OI Yin, Zhong/0000-0001-5594-9879
FU German Science Foundation (DFG) [SFB755, SFB 1073]; Max Planck Institute
of Biophysical Chemistry; Deutsches Elektronen-Synchrotron; European
Metrology Research Project within EURAMET program of the European Union
[EMRP-JRP SIB58]
FX The authors gratefully acknowledge the financial support from SFB755
"Nanoscale Photonic Imaging" and Project No. C02 of SFB 1073 "Atomic
Scale Control of Energy Conversion" of the German Science Foundation
(DFG), the Max Planck Institute of Biophysical Chemistry, and Deutsches
Elektronen-Synchrotron. F. Siewert's work was partly funded by the
European Metrology Research Project No. EMRP-JRP SIB58 Angles within the
EURAMET program of the European Union. S.T. is grateful to the Funds of
the Chemical Industry. We thank the staff of P04 and S. Klumpp for their
continuous support and T. Baumann and J. R. Crespo Lopez-Urrutia for
valuable discussions.
NR 36
TC 3
Z9 3
U1 6
U2 19
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD SEP
PY 2015
VL 86
IS 9
AR 093109
DI 10.1063/1.4930968
PG 5
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA CT1PX
UT WOS:000362573300010
PM 26429431
ER
PT J
AU Shaw, WJ
AF Shaw, Wendy J.
TI Solid-state NMR studies of proteins immobilized on inorganic surfaces
SO SOLID STATE NUCLEAR MAGNETIC RESONANCE
LA English
DT Article
DE Biomineralization; Immobilized proteins; Dipolar recoupling; Protein
structure; Protein dynamics; Protein orientation; Multi-dimensional
solid state NMR; Amelogenin; Statherin; Silaffin
ID ATOMIC-FORCE MICROSCOPY; PROTON-ENHANCED NMR; BASIC-AMINO-ACIDS;
HYDROXYAPATITE CRYSTALS; MOLECULAR RECOGNITION; CALCIUM-PHOSPHATE;
OCTACALCIUM PHOSPHATE; POLARIZATION TRANSFER; AMYLOID FIBRILS; STATHERIN
AB Solid state NMR is the primary tool for studying the quantitative, site-specific structure, orientation, and dynamics of biomineralization proteins under biologically relevant conditions. Two calcium phosphate proteins, statherin (43 amino acids) and leucine rich amelogenin protein (LRAP; 59 amino acids), have been studied in depth and have different dynamic properties and 2D- and 3D-structural features. These differences make it difficult to extract design principles used in nature for building materials with properties such as high strength, unusual morphologies, or uncommon phases. Consequently, design principles needed for developing synthetic materials controlled by proteins are not clear. Many biomineralization proteins are much larger than statherin and LRAP, necessitating the study of larger biomineralization proteins. More recent studies of the significantly larger full-length amelogenin (180 residues) represent a significant step forward to ultimately investigate the full diversity of biomineralization proteins. Interactions of amino acids, a silaffin derived peptide, and the model LK peptide with silica are also being studied, along with qualitative studies of the organic matrices interacting with calcium carbonate. Dipolar recoupling techniques have formed the core of the quantitative studies, yet the need for isolated spin pairs makes this approach costly and time intensive. The use of multidimensional techniques to study biomineralization proteins is becoming more common, methodology which, despite its challenges with these difficult-to-study proteins, will continue to drive future advancements in this area. (C) 2015 Elsevier Inc. All rights reserved.
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Shaw, WJ (reprint author), Pacific NW Natl Lab, POB 999,MS K2-57, Richland, WA 99352 USA.
EM wendy.shaw@pnnl.gov
FU NIH-NIDCR Grant [DE-015347]; U.S. DOE Biological and Environmental
Research program
FX This review and the authors work herein was supported by NIH-NIDCR Grant
DE-015347. The authors research reviewed in this work was performed at
the Pacific Northwest National Laboratory (PNNL), a facility operated by
Battelle for the U.S. Department of Energy, with a portion of it
performed at the W.R. Wiley Environmental Molecular Sciences Laboratory
(EMSL), a national scientific user facility sponsored by the U.S. DOE
Biological and Environmental Research program.
NR 86
TC 5
Z9 5
U1 7
U2 30
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0926-2040
EI 1527-3326
J9 SOLID STATE NUCL MAG
JI Solid State Nucl. Magn. Reson.
PD SEP
PY 2015
VL 70
BP 1
EP 14
DI 10.1016/j.ssnmr.2014.10.003
PG 14
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical; Physics,
Condensed Matter; Spectroscopy
SC Chemistry; Physics; Spectroscopy
GA CS1PT
UT WOS:000361840200001
PM 25466354
ER
PT J
AU Lee, H
Le, HV
Wu, R
Doud, E
Sanishvili, R
Kellie, JF
Compton, PD
Pachaiyappan, B
Liu, DL
Kelleher, NL
Silverman, RB
AF Lee, Hyunbeom
Le, Hoang V.
Wu, Rui
Doud, Emma
Sanishvili, Ruslan
Kellie, John F.
Compton, Philip D.
Pachaiyappan, Boobalan
Liu, Dali
Kelleher, Neil L.
Silverman, Richard B.
TI Mechanism of Inactivation of GABA Aminotransferase by (E)- and
(Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid
SO ACS CHEMICAL BIOLOGY
LA English
DT Article
ID GAMMA-AMINOBUTYRATE AMINOTRANSFERASE; DRUG-RESISTANT EPILEPSY; GLUTAMATE
DECARBOXYLASE; COCAINE ADDICTION; VIGABATRIN; BRAIN; CPP-115;
MULTICENTER; RECEPTOR; DISEASE
AB When gamma-aminobutyric acid (GABA), the major inhibitory neurotransmitter in the mammalian central nervous system, falls below a threshold level, seizures occur. One approach to raise GABA concentrations is to inhibit GABA aminotransferase (GABA-AT), a pyridoxal 5'-phosphate-dependent enzyme that degrades GABA. We have previously developed (1S,3S)-3-amino-4-difluoromethylene-1-cyclopentanoic acid (CPP-115), which is 186 times more efficient in inactivating GABA-AT than vigabatrin, the only FDA-approved inactivator of GABA-AT. We also developed (E)- and (Z)-(1S,3S)-3-amino-4-fluoromethylenyl-1-cyclopentanoic acid (1 and 2, respectively), monofluorinated analogs of CPP-115, which are comparable to vigabatrin in inactivating GABA-AT. Here, we report the mechanism of inactivation of GABA-AT by 1 and 2. Both produce a metabolite that induces disruption of the Glu270-Arg445 salt bridge to accommodate interaction between the metabolite formyl group and Arg445. This is the second time that Arg445 has interacted with a ligand and is involved in GABA-AT inactivation, thereby confirming the importance of Arg445 in future inactivator design.
C1 [Lee, Hyunbeom; Le, Hoang V.; Pachaiyappan, Boobalan; Silverman, Richard B.] Northwestern Univ, Dept Chem, Chem Life Proc Inst, Evanston, IL 60208 USA.
[Lee, Hyunbeom; Le, Hoang V.; Pachaiyappan, Boobalan; Silverman, Richard B.] Northwestern Univ, Dept Mol Biosci, Chem Life Proc Inst, Evanston, IL 60208 USA.
[Lee, Hyunbeom; Le, Hoang V.; Pachaiyappan, Boobalan; Silverman, Richard B.] Northwestern Univ, Ctr Mol Innovat & Drug Discovery, Evanston, IL 60208 USA.
[Wu, Rui; Liu, Dali] Loyola Univ, Dept Chem & Biochem, Chicago, IL 60660 USA.
[Doud, Emma; Kellie, John F.; Compton, Philip D.; Kelleher, Neil L.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Doud, Emma; Kellie, John F.; Compton, Philip D.; Kelleher, Neil L.] Northwestern Univ, Dept Mol Biosci, Evanston, IL 60208 USA.
[Doud, Emma; Kellie, John F.; Compton, Philip D.; Kelleher, Neil L.] Northwestern Univ, Prote Ctr Excellence, Evanston, IL 60208 USA.
[Sanishvili, Ruslan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA.
RP Silverman, RB (reprint author), Northwestern Univ, Dept Chem, Chem Life Proc Inst, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM Agman@chem.northwestern.edu
OI Compton, Philip/0000-0001-5212-7175
FU National Institutes of Health [GM066132, DA030604, GM067725]; Federal
funds from National Cancer Institute [ACB-12002]; National Institute of
General Medical Sciences [AGM-12006]; DOE Office of Science by Argonne
National Laboratory [DE-AC02-06CH11357]; International Institute of
Nanotechnology
FX The authors are grateful to the National Institutes of Health for
financial support (grants GM066132 and DA030604 to R.B.S.; GM067725 to
N.L.K). GM/CA@APS has been funded in whole or in part with Federal funds
from the National Cancer Institute (ACB-12002) and the National
Institute of General Medical Sciences (AGM-12006). This research used
resources of the Advanced Photon Source, a U.S. Department of Energy
(DOE) Office of Science User Facility operated for the DOE Office of
Science by Argonne National Laboratory under contract no.
DE-AC02-06CH11357. We would also like to thank Park Packing Co.
(Chicago, IL) for their generosity in providing fresh pig brains for
this study. Support for the spectrometer funding has been provided by
the International Institute of Nanotechnology.
NR 36
TC 1
Z9 1
U1 0
U2 7
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1554-8929
EI 1554-8937
J9 ACS CHEM BIOL
JI ACS Chem. Biol.
PD SEP
PY 2015
VL 10
IS 9
BP 2087
EP 2098
DI 10.1021/acschembio.5b00212
PG 12
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CS1ZI
UT WOS:000361867200016
PM 26110556
ER
PT J
AU Hla, SW
AF Hla, Saw-Wai
TI Trapping a Charged Atom
SO ACS NANO
LA English
DT Article
ID DIMETHYL-SULFOXIDE; BATTERIES; BIOLOGY
AB Engineering of supramolecular assemblies on surfaces is an emerging field of research impacting chemistry, electronics, and biology. Among supramolecular assemblies, metal-containing structures provide rich properties and enable robust nanostructured designs. In this issue of ACS Nano, Feng eta!, report that supramolecular assemblies can trap gold adatoms that maintain a charged state on a Au(111) surface. Such charged adatoms may offer additional degrees of freedom in designing novel supramolecular architectures for efficient catalysts, memory, and charge storage for medical applications.
C1 [Hla, Saw-Wai] Argonne Natl Lab, Nanosci & Technol Div, Ctr Nanoscale Mat, Lemont, IL 60439 USA.
[Hla, Saw-Wai] Ohio Univ, Nanosci & Quantum Phenomena Inst, Athens, OH 45701 USA.
[Hla, Saw-Wai] Ohio Univ, Condensed Matter & Surface Sci Program, Athens, OH 45701 USA.
RP Hla, SW (reprint author), Argonne Natl Lab, Nanosci & Technol Div, Ctr Nanoscale Mat, Lemont, IL 60439 USA.
EM hla@ohio.edu
NR 18
TC 1
Z9 1
U1 4
U2 29
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 SEP
PY 2015
VL 9
IS 9
BP 8644
EP 8646
DI 10.1021/acsnano.5b04985
PG 3
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS2XR
UT WOS:000361935800002
PM 26325629
ER
PT J
AU Bilgin, I
Liu, FZ
Vargas, A
Winchester, A
Man, MKL
Upmanyu, M
Dani, KM
Gupta, G
Talapatra, S
Mohite, AD
Kar, S
AF Bilgin, Ismail
Liu, Fangze
Vargas, Anthony
Winchester, Andrew
Man, Michael K. L.
Upmanyu, Moneesh
Dani, Keshav M.
Gupta, Gautam
Talapatra, Saikat
Mohite, Aditya D.
Kar, Swastik
TI Chemical Vapor Deposition Synthesized Atomically Thin Molybdenum
Disulfide with Optoelectronic-Grade Crystalline Quality
SO ACS NANO
LA English
DT Article
DE monolayer MoS2; Raman; photoluminescence; photocurrent spectroscopy;
exciton dissociation; chemical vapor deposition
ID MONOLAYER MOS2; LAYER MOS2; LARGE-AREA; VALLEY POLARIZATION;
GRAIN-BOUNDARIES; RAMAN-SCATTERING; HIGH-PERFORMANCE; FINE-STRUCTURE;
PHASE GROWTH; TRANSISTORS
AB The ability to synthesize high-quality samples over large areas and at low cost is one of the biggest challenges during the developmental stage of any novel material. While chemical vapor deposition (CVD) methods provide a promising low-cost route for CMOS compatible, large-scale growth of materials, it often falls short of the high-quality demands in nanoelectronics and optoelectronics. We present large-scale CVD synthesis of single- and few-layered MoS2 using direct vapor-phase sulfurization of MoS2, which enables us to obtain extremely high-quality single-crystal monolayer MoS2 samples with field-effect mobility exceeding 30 cm(2)/(V s) in monolayers. These samples can be readily synthesized on a variety of substrates, and demonstrate a high-degree of optoelectronic uniformity in Raman and photoluminescence mapping over entire crystals with areas exceeding hundreds of square micrometers. Because of their high crystalline quality, Raman spectroscopy on samples reveal a range of multiphonon processes through peaks with equal or better clarity compared to past reports on mechanically exfoliated samples. This enables us to investigate the layer thickness and substrate dependence of the extremely weak phonon processes at 285 and 487 cm(-1) in 2D-MoS2. The ultrahigh, optoelectronic-grade crystalline quality of these samples could be further established through photocurrent spectroscopy, which clearly reveal excitonic states at room temperature, a feat that has been previously demonstrated only on samples which were fabricated by micro-mechanical exfoliation and then artificially suspended across trenches. Our method reflects a big step in the development of atomically thin, 2D-MoS2 for scalable, high-quality optoelectronics.
C1 [Bilgin, Ismail; Liu, Fangze; Vargas, Anthony; Kar, Swastik] Northeastern Univ, Dept Phys, Boston, MA 02115 USA.
[Bilgin, Ismail; Gupta, Gautam; Mohite, Aditya D.] Los Alamos Natl Lab, Mat Synth & Integrated Devices, Los Alamos, NM 87545 USA.
[Winchester, Andrew; Talapatra, Saikat] So Illinois Univ, Dept Phys, Carbondale, IL 62901 USA.
[Winchester, Andrew; Man, Michael K. L.; Dani, Keshav M.; Talapatra, Saikat] Okinawa Inst Sci & Technol Grad Univ, Femtosecond Spect Unit, Onna, Okinawa 9040495, Japan.
[Upmanyu, Moneesh] Northeastern Univ, Dept Mech & Ind Engn, Boston, MA 02115 USA.
[Kar, Swastik] Northeastern Univ, George J Kostas Res Inst Homeland Secur, Burlington, MA 01803 USA.
RP Mohite, AD (reprint author), Los Alamos Natl Lab, Mat Synth & Integrated Devices, Los Alamos, NM 87545 USA.
EM amohite@lanl.gov; s.kar@neu.edu
RI Dani, Keshav/B-7490-2015; Man, Ka Lun, Michael /B-7639-2015
OI Dani, Keshav/0000-0003-3917-6305; Man, Ka Lun, Michael
/0000-0001-6043-3631
FU NSF [ECCS-1351424]; US Army [W911NF-10-2-0098, 15-215456-03-00]; LANL
LDRD program [XW8 V]; U.S. Army Research Office through a MURI
[W911NF-11-1-0362]; US National Science Foundation (NSF) [NSF-PIRE
OISE-0968405]; Japan Society for the Promotion of Science (JSPS)
[L13521]; National Science Foundation DMR CMMT Program [1106214]
FX The authors would like to gratefully acknowledge financial support
received from NSF through award ECCS-1351424 (SK, FL), and partial
support from the US Army grant, W911NF-10-2-0098, subaward
15-215456-03-00 (AV). This work was also partially supported (ADM, GG)
by the LANL LDRD program (XW8 V)). The work was conducted, in part, at
the Center for Integrated Nanotechnologies (CINT), a U.S. Department of
Energy, and Office of Basic Energy Sciences (OBES) user facility. ST
acknowledges funding support provided by the U.S. Army Research Office
through a MURI grant # W911NF-11-1-0362 and US National Science
Foundation (NSF) through grant # NSF-PIRE OISE-0968405. ST and KMD
acknowledges funding support provided by Japan Society for the Promotion
of Science (JSPS) through a fellowship (# L13521). MU would like to
acknowledge partial support from National Science Foundation DMR CMMT
Program (#1106214).
NR 58
TC 15
Z9 15
U1 17
U2 112
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 SEP
PY 2015
VL 9
IS 9
BP 8822
EP 8832
DI 10.1021/acsnano.5b02019
PG 11
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS2XR
UT WOS:000361935800020
PM 26256639
ER
PT J
AU Liu, J
Kilina, SV
Tretiak, S
Prezhdo, OV
AF Liu, Jin
Kilina, Svetlana V.
Tretiak, Sergei
Prezhdo, Oleg V.
TI Ligands Slow Down Pure-Dephasing in Semiconductor Quantum Dots
SO ACS NANO
LA English
DT Article
DE colloidal quantum dots; electron-phonon scattering; luminescence;
multiple exciton generation; pure dephasing
ID MULTIPLE EXCITON GENERATION; NONADIABATIC MOLECULAR-DYNAMICS; AB-INITIO;
ELECTRONIC EXCITATIONS; CDSE NANOCRYSTALS; SINGLET FISSION; TIME-DOMAIN;
SURFACE LIGANDS; CARRIER MULTIPLICATION; OPTICAL SPECTROSCOPY
AB It is well-known experimentally and theoretically that surface ligands provide additional pathways for energy relaxation in colloidal semiconductor quantum dots (QDs). They increase the rate of inelastic charge-phonon scattering and provide trap sites for the charges. We show that, surprisingly, ligands have the opposite effect on elastic electron-phonon scattering. Our simulations demonstrate that elastic scattering slows down in CdSe QDs passivated with ligands compared to that in bare QDs. As a result, the pure-dephasing time is increased, and the homogeneous luminescence line width is decreased in the presence of ligands. The lifetime of quantum superpositions of single and multiple excitons increases as well, providing favorable conditions for multiple excitons generation (MEG). Ligands reduce the pure-dephasing rates by decreasing phonon-induced fluctuations of the electronic energy levels. Surface atoms are most mobile in QDs, and therefore, they contribute greatly to the electronic energy fluctuations. The mobility is reduced by interaction with ligands. A simple analytical model suggests that the differences between the bare and passivated QDs persist for up to 5 nm diameters. Both low-frequency acoustic and high-frequency optical phonons participate in the dephasing processes in bare QDs, while low-frequency acoustic modes dominate in passivated QDs. The theoretical predictions regarding the pure-dephasing time, luminescence line width, and MEG can be verified experimentally by studying QDs with different surface passivation.
C1 [Liu, Jin] Univ Rochester, Dept Chem Engn, Rochester, NY 14627 USA.
[Kilina, Svetlana V.] N Dakota State Univ, Dept Chem, Fargo, ND 58108 USA.
[Tretiak, Sergei] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Prezhdo, Oleg V.] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA.
RP Prezhdo, OV (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA.
EM prezhdo@usc.edu
RI Tretiak, Sergei/B-5556-2009
OI Tretiak, Sergei/0000-0001-5547-3647
FU U.S. Department of Energy [DE-SC0014429]; U.S. Department of Energy
(DOE) Early Career Research Grant [DE-SC008446]; user facility of the
Center for Integrated Nanotechnologies (CINT) at Los Alamos National
Laboratory
FX J.L. and O.V.P. acknowledge financial support of the U.S. Department of
Energy Grant No. DE-SC0014429. S.V.K. acknowledges financial support of
the U.S. Department of Energy (DOE) Early Career Research Grant No.
DE-SC008446. The authors are grateful for support from the user facility
of the Center for Integrated Nanotechnologies (CINT) at Los Alamos
National Laboratory.
NR 75
TC 9
Z9 9
U1 6
U2 39
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 SEP
PY 2015
VL 9
IS 9
BP 9106
EP 9116
DI 10.1021/acsnano.5b03255
PG 11
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS2XR
UT WOS:000361935800049
PM 26284384
ER
PT J
AU Sun, BB
Pokhrel, S
Dunphy, DR
Zhang, HY
Ji, ZX
Wang, X
Wang, MY
Liao, YP
Chang, CH
Dong, JY
Li, RB
Madler, L
Brinker, CJ
Nel, AE
Xia, T
AF Sun, Bingbing
Pokhrel, Suman
Dunphy, Darren R.
Zhang, Haiyuan
Ji, Zhaoxia
Wang, Xiang
Wang, Meiying
Liao, Yu-Pei
Chang, Chong Hyun
Dong, Juyao
Li, Ruibin
Maedler, Lutz
Brinker, C. Jeffrey
Nel, Andre E.
Xia, Tian
TI Reduction of Acute Inflammatory Effects of Fumed Silica Nanoparticles in
the Lung by Adjusting Silanol Display through Calcination and Metal
Doping
SO ACS NANO
LA English
DT Article
DE fumed silica; silanol groups; doping; NLRP3 inflammasome; IL-1 beta;
lung inflammation
ID PREDICTIVE TOXICOLOGICAL APPROACH; MULTIWALL CARBON NANOTUBES; OXIDATIVE
STRESS; BAND-GAP; HUMAN ERYTHROCYTES; HEMOLYTIC-ACTIVITY; TOXICITY;
ACTIVATION; CELLS; OXIDE
AB The production of pyrogenic (fumed) silica is increasing worldwide at a 7% annual growth rate, including expanded use in food, pharmaceuticals, and other industrial products. Synthetic amorphous silica, including fumed silica, has been generally recognized as safe for use in food products by the Food and Drug Administration. However, emerging evidence from experimental studies now suggests that fumed silica could be hazardous due to its siloxane ring structure, high silanol density, and "string-of-pearl-like" aggregate structure, which could combine to cause membrane disruption, generation of reactive oxygen species, pro-inflammatory effects, and liver fibrosis. Based on this structure activity analysis (SAA), we investigated whether calcination and rehydration of fumed silica changes its hazard potential in the lung due to an effect on silanol density display. This analysis demonstrated that the accompanying change in surface reactivity could indeed impact cytokine production in macrophages and acute inflammation in the lung, in a manner that is dependent on siloxane ring reconstruction. Confirmation of this SAA in vivo, prompted us to consider safer design of fumed silica properties by titanium and aluminum doping (0-7%), using flame spray pyrolysis. Detailed characterization revealed that increased Ti and Al doping could reduce surface silanol density and expression of three-membered siloxane rings, leading to dose-dependent reduction in hydroxyl radical generation, membrane perturbation, potassium efflux, NLRP3 inflammasome activation, and cytotoxicity in THP-1 cells. The reduction of NLRP3 inflammasome activation was also confirmed in bone-marrow-derived macrophages. Ti doping, and to a lesser extent Al doping, also ameliorated acute pulmonary inflammation, demonstrating the possibility of a safer design approach for fumed silica, should that be required for specific use circumstances.
C1 [Sun, Bingbing; Wang, Meiying; Liao, Yu-Pei; Li, Ruibin; Nel, Andre E.; Xia, Tian] Univ Calif Los Angeles, Dept Med, Div NanoMed, Los Angeles, CA 90095 USA.
[Ji, Zhaoxia; Wang, Xiang; Chang, Chong Hyun; Nel, Andre E.; Xia, Tian] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA.
[Dong, Juyao] Univ Calif Los Angeles, Dept Chem, Los Angeles, CA 90095 USA.
[Pokhrel, Suman; Maedler, Lutz] Univ Bremen, Dept Prod Engn, Fdn Inst Mat Sci IWT, D-28359 Bremen, Germany.
[Dunphy, Darren R.; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA.
[Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet & Microbiol, Albuquerque, NM 87131 USA.
[Zhang, Haiyuan] Chinese Acad Sci, Changchun Inst Appl Chem, Biol Chem Lab, Changchun 130022, Jilin, Peoples R China.
[Brinker, C. Jeffrey] Sandia Natl Labs, Self Assembled Mat Dept, Albuquerque, NM 87185 USA.
RP Nel, AE (reprint author), Univ Calif Los Angeles, Dept Med, Div NanoMed, Los Angeles, CA 90095 USA.
EM anel@mednet.ucia.edu; txia@ucla.edu
RI Li, Ruibin/L-8285-2015; Madler, Lutz/F-2982-2013; Wang,
Xiang/J-2054-2014; Pokhrel, Suman/I-5861-2013; Li, Ruibin/H-6154-2016;
Sun, Bingbing/I-8197-2012; xia, tian/C-3158-2013;
OI Madler, Lutz/0000-0002-7073-0733; Wang, Xiang/0000-0002-6647-0684; Sun,
Bingbing/0000-0002-5444-5078; xia, tian/0000-0003-0123-1305; Zhang,
Haiyuan/0000-0003-4076-1771; Pokhrel, Suman/0000-0001-5712-2824
FU U.S. Public Health Service Grant [R01 ES016746]; National Science
Foundation; Environmental Protection Agency [DBI 0830117, 1266377]; NIH
[1S10RR23057]; CNSI at UCLA
FX This work was primarily supported by the U.S. Public Health Service
Grant, R01 ES016746, with leveraged support from the National Science
Foundation and the Environmental Protection Agency under Cooperative
Agreement Number DBI 0830117 and 1266377. The authors thank Drs. Joel
Pounds and Richard Zangar from Pacific Northwest National Laboratory for
quantification of the cytokine production induced by
calcinated/rehydrated fumed silica by an ELISA microarray assay. The
authors thank the CNSI Advanced Light Microscopy/Spectroscopy Shared
Facility at UCLA for confocal fluorescent microscopy, the use of TEM
instruments at the Electron Imaging Center for NanoMachines supported by
NIH (1S10RR23057 to Z.H.Z.), and CNSI at UCLA.
NR 61
TC 13
Z9 14
U1 17
U2 55
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 SEP
PY 2015
VL 9
IS 9
BP 9357
EP 9372
DI 10.1021/acsnano.5b03443
PG 16
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA CS2XR
UT WOS:000361935800076
PM 26200133
ER
PT J
AU Phuoc, TX
Wang, P
McIntyre, D
AF Phuoc, Tran X.
Wang, Ping
McIntyre, Dustin
TI Discovering the feasibility of using the radiation forces for recovering
rare earth elements from coal power plant by-products
SO ADVANCED POWDER TECHNOLOGY
LA English
DT Article
DE Photon pressure force; Photophoretic force; Rare earth element; Coal
ashes
ID SANTA-CATARINA; ULTRAFINE PARTICLES; HAZARDOUS ELEMENTS; IRRADIATED
SPHERES; AEROSOL-PARTICLES; REFRACTIVE-INDEX; FLY-ASH; NANOMINERALS;
SEPARATION; PRESSURE
AB The feasibility of using laser separation for rare earth recovery from coal ashes was explored. To do so, laser-induced motion and travel distances of some rare earth and rare earth oxides (Lu2O3, Yb2O3, HfO2, Dy2O3, Ta2O5, Tm, Lu, Ho, TeO2, La2O3, Ho, TiO2, Fe2O3 Y2O3, GeO2, Sc2O3) and mineral compounds (MgO,CaO, Al2O3, SiO2, KCl) that are commonly found is coal ashes were numerically investigated. The investigations were carried out for particles in quiescent air, (T = 300 K, mu = 18.46 x 10 N-6 s/m(2), rho = 1.177 kg/m(3)) exposing to a CW laser beam of 6 mm in diameter and it was focused by a 500 mm focal length lens. The results showed that the separation distances between these elements varied from few micrometers to several millimeters and it became widened as the laser power increased. The important result presented here is that all rare earth oxides were separated and concentrated in a small area located near the beam waist while all other mineral compounds traveled further and concentrated in a small area far from the beam waist. Published by Elsevier B.V. on behalf of The Society of Powder Technology Japan. All right reserved.
C1 [Phuoc, Tran X.; Wang, Ping; McIntyre, Dustin] Dept Energy, Natl Energy Technol Lab, Pittsburgh, PA 15261 USA.
RP Phuoc, TX (reprint author), Dept Energy, Natl Energy Technol Lab, POB 10940,MS 84-340, Pittsburgh, PA 15261 USA.
EM tran@netl.doe.gov
OI McIntyre, Dustin/0000-0003-4907-9576
NR 48
TC 0
Z9 0
U1 4
U2 16
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0921-8831
EI 1568-5527
J9 ADV POWDER TECHNOL
JI Adv. Powder Technol.
PD SEP
PY 2015
VL 26
IS 5
BP 1465
EP 1472
DI 10.1016/j.apt.2015.08.004
PG 8
WC Engineering, Chemical
SC Engineering
GA CS2RR
UT WOS:000361919300026
ER
PT J
AU Wu, CB
Wang, BY
Lin, WC
Gai, Z
Lin, MT
AF Wu, Chii-Bin
Wang, Bo-Yao
Lin, Wen-Chin
Gai, Zheng
Lin, Minn-Tsong
TI Nanopatterning of magnetic domains: Fe coverage of self-assembled
alumina nanostructure
SO APPLIED PHYSICS EXPRESS
LA English
DT Article
ID NIAL(001); GROWTH; MEDIA; FILMS
AB Nanosized ultrathin magnetic films were prepared by controlling the deposition of Fe onto an oxidized NiAl(001) surface with an alumina nanostructure on it. Because the ultrathin ferromagnetic Fe films on the bare NiAl(001) surface are separated by paramagnetic Fe nanoparticles on the alumina stripes, as determined by scanning electron microscopy with spin analysis, they form rectangular domains with sizes ranging from tens of nanometer to larger than a micrometer. Magnetic domain patterning can thus be achieved by controlling the Fe coverage and nanostructured template. (C) 2015 The Japan Society of Applied Physics
C1 [Wu, Chii-Bin] Chung Yuan Christian Univ, Dept Phys, Chungli 32023, Taiwan.
[Wang, Bo-Yao] Natl Changhua Univ Educ, Dept Phys, Changhua 500, Taiwan.
[Lin, Wen-Chin] Natl Taiwan Normal Univ, Dept Phys, Taipei 11677, Taiwan.
[Gai, Zheng] Oak Ridge Natl Lab, Div Mat Sci, Ctr Nanophase, Oak Ridge, TN 37831 USA.
[Lin, Minn-Tsong] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan.
[Lin, Minn-Tsong] Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan.
RP Wu, CB (reprint author), Chung Yuan Christian Univ, Dept Phys, Chungli 32023, Taiwan.
EM chiibinwu@cycu.edu.tw; mtlin@phys.ntu.edu.tw
RI Gai, Zheng/B-5327-2012
OI Gai, Zheng/0000-0002-6099-4559
FU National Science Council of Taiwan [NSC 96-2120-M-002-011, NSC
95-2112-M-002-051-MY3, NSC 96-2112-M-003-015-MY3, NSC
102-2112-M-033-004-MY3]
FX This work was supported by the National Science Council of Taiwan under
Grant Nos. NSC 96-2120-M-002-011, NSC 95-2112-M-002-051-MY3, NSC
96-2112-M-003-015-MY3, and NSC 102-2112-M-033-004-MY3. A portion of this
research was conducted at the Center for Nanophase Materials Sciences,
which is a DOE Office of Science User Facility.
NR 24
TC 0
Z9 0
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1882-0778
EI 1882-0786
J9 APPL PHYS EXPRESS
JI Appl. Phys. Express
PD SEP
PY 2015
VL 8
IS 9
AR 093002
DI 10.7567/APEX.8.093002
PG 4
WC Physics, Applied
SC Physics
GA CS6JM
UT WOS:000362184700017
ER
PT J
AU Yoo, J
Prikhodko, V
Parks, JE
Perfetto, A
Geckler, S
Partridge, WP
AF Yoo, Jihyung
Prikhodko, Vitaly
Parks, James E.
Perfetto, Anthony
Geckler, Sam
Partridge, William P.
TI Fast Spatially Resolved Exhaust Gas Recirculation (EGR) Distribution
Measurements in an Internal Combustion Engine Using Absorption
Spectroscopy
SO APPLIED SPECTROSCOPY
LA English
DT Article
DE Exhaust gas recirculation; EGR; Carbon dioxide; CO2; Combustion;
Uniformity; Light-emitting diode; LED
ID DIODE-LASER ABSORPTION; DIESEL-ENGINE; TEMPERATURE
AB Exhaust gas recirculation (EGR) in internal combustion engines is an effective method of reducing NOx emissions while improving efficiency. However, insufficient mixing between fresh air and exhaust gas can lead to cycle-to-cycle and cylinder-to-cylinder non-uniform charge gas mixtures of a multi-cylinder engine, which can in turn reduce engine performance and efficiency. A sensor packaged into a compact probe was designed, built and applied to measure spatiotemporal EGR distributions in the intake manifold of an operating engine. The probe promotes the development of more efficient and higher-performance engines by resolving highspeed in situ CO2 concentration at various locations in the intake manifold. The study employed mid-infrared light sources tuned to an absorption band of CO2 near 4.3 mu m, an industry standard species for determining EGR fraction. The calibrated probe was used to map spatial EGR distributions in an intake manifold with high accuracy and monitor cycle-resolved cylinder-specific EGR fluctuations at a rate of up to 1 kHz.
C1 [Yoo, Jihyung; Prikhodko, Vitaly; Parks, James E.; Partridge, William P.] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Fuels Engines & Emiss Res Ctr, Knoxville, TN 37932 USA.
[Perfetto, Anthony; Geckler, Sam] Cummins Inc, Cummins Tech Ctr, Columbus, IN 47201 USA.
RP Partridge, WP (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, Fuels Engines & Emiss Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA.
EM partridgewp@ornl.gov
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Vehicle Technologies Office; Cummins Inc., Columbus, Indiana;
U.S. Department of Energy [DE-AC05-00OR22725]
FX This research was sponsored by the U.S. Department of Energy, Office of
Energy Efficiency and Renewable Energy, Vehicle Technologies Office,
with Gurpreet Singh, Ken Howden, and Leo Breton as the Program Managers,
via a Cooperative Research and Development Agreement (CRADA) with
Cummins Inc., Columbus, Indiana. The authors are also grateful to Eddie
Raby and Michael Saale of Vacuum Technology Incorporated, Oak Ridge,
Tennessee, for their efforts regarding timely manufacturing of the EGR
probe necessary for meeting the project timeline and goals. Notice: This
manuscript has been authored by UT-Battelle, LLC under Contract No.
DE-AC05-00OR22725 with the U.S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The Department of Energy will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 29
TC 3
Z9 3
U1 1
U2 5
PU SOC APPLIED SPECTROSCOPY
PI FREDERICK
PA 5320 SPECTRUM DRIVE SUITE C, FREDERICK, MD 21703 USA
SN 0003-7028
EI 1943-3530
J9 APPL SPECTROSC
JI Appl. Spectrosc.
PD SEP
PY 2015
VL 69
IS 9
BP 1047
EP 1058
DI 10.1366/14-07796
PG 12
WC Instruments & Instrumentation; Spectroscopy
SC Instruments & Instrumentation; Spectroscopy
GA CS2VE
UT WOS:000361929300007
PM 26253286
ER
PT J
AU Dong, RB
AF Dong, Ruobing
TI THE EFFECTS OF SELF-SHADOWING BY A PUFFED-UP INNER RIM IN SCATTERED
LIGHT IMAGES OF PROTOPLANETARY DISKS
SO ASTROPHYSICAL JOURNAL
LA English
DT Article
DE circumstellar matter; planets and satellites: formation; protoplanetary
disks; radiative transfer; stars: pre-main sequence; stars: variables: T
Tauri, Herbig Ae/Be
ID HERBIG AE/BE STARS; 2-DIMENSIONAL RADIATIVE-TRANSFER; SPECTRAL
ENERGY-DISTRIBUTION; T TAURI STARS; TRANSITIONAL DISKS; PROTOSTELLAR
ENVELOPES; PRETRANSITIONAL DISKS; INFRARED VARIABILITY; CIRCUMSTELLAR
DISKS; ASYMMETRIC FEATURES
AB We explore whether protoplanetary disks with self-shadowing from puffed-up inner rims exhibit observable features in scattered light images. We use both self-consistent hydrostatic equilibrium calculations and parameterized models to produce the vertically puffed-up inner rims. We find that, in general, the transition between the shadowed and flared regions occurs in a smooth manner over a broad radius range, and no sudden jump exists at the outer edge of the shadow in either the disk temperature or density structures. As a result, a puffed-up rim cannot create sharp ring/arc/spiral-arm-like features in the outer disk as have been detected in recent direct near-infrared imaging of disks. On the other hand, if the puffed-up rim has a sharp edge in the vertical direction, the shadowing effect can produce a distinct three-stage broken power law in the radial intensity profile of the scattered light, with two steep surface brightness radial profiles in the inner and outer disk joined by a shallow transition region around the shadow edge. These types of scattered light profiles may have already been observed, such as in the recent Subaru direct imaging of the TW Hydrae system.
C1 [Dong, Ruobing] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Dong, Ruobing] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA.
RP Dong, RB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM rdong2013@berkeley.edu
FU NASA through Hubble Fellowship - Space Telescope Science Institute
[HST-HF-51320.01-A]; NASA [NAS 5-26555]; Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX I thank Misato Fukagawa, Jun Hashimoto, and Barbara Whitney for useful
discussions and help on the paper. and the referee Cornelis Dullemond
for a helpful referee report. This work is supported by NASA through
Hubble Fellowship grant HST-HF-51320.01-A awarded by the Space Telescope
Science Institute, which is operated by the Association of Universities
for Research in Astronomy, Inc., for NASA, under contract NAS 5-26555.
This research made use of the SAVIO cluster at UC Berkeley, and the
Lawrencium cluster at the Lawrence Berkeley National Laboratory
(Supported by the Director, Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231).
NR 68
TC 7
Z9 7
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-637X
EI 1538-4357
J9 ASTROPHYS J
JI Astrophys. J.
PD SEP 1
PY 2015
VL 810
IS 1
AR 6
DI 10.1088/0004-637X/810/1/6
PG 9
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA CS1CT
UT WOS:000361800900006
ER
PT J
AU Kwan, J
Heitmann, K
Habib, S
Padmanabhan, N
Lawrence, E
Finkel, H
Frontiere, N
Pope, A
AF Kwan, Juliana
Heitmann, Katrin
Habib, Salman
Padmanabhan, Nikhil
Lawrence, Earl
Finkel, Hal
Frontiere, Nicholas
Pope, Adrian
TI COSMIC EMULATION: FAST PREDICTIONS FOR THE GALAXY POWER SPECTRUM
SO ASTROPHYSICAL JOURNAL
LA English
DT Article
DE cosmology: theory; large-scale structure of universe
ID LUMINOUS RED GALAXIES; HALO OCCUPATION DISTRIBUTION; DIGITAL SKY SURVEY;
LARGE-SCALE STRUCTURE; BARYON ACOUSTIC-OSCILLATIONS; DARK-MATTER HALOES;
COSMOLOGICAL PARAMETERS; PRECISION EMULATION; MASS FUNCTION;
HIGH-REDSHIFT
AB The halo occupation distribution (HOD) approach has proven to be an effective method for modeling galaxy clustering and bias. In this approach, galaxies of a given type are probabilistically assigned to individual halos in N-body simulations. In this paper, we present a fast emulator for predicting the fully nonlinear galaxy-galaxy auto and galaxy-dark matter cross power spectrum and correlation function over a range of freely specifiable HOD modeling parameters. The emulator is constructed using results from 100 HOD models run on a large Lambda CDM N-body simulation, with Gaussian Process interpolation applied to a PCA-based representation of the galaxy power spectrum. The total error is currently similar to 1% in the auto correlations and similar to 2% in the cross correlations from z = 1 to z = 0, over the considered parameter range. We use the emulator to investigate the accuracy of various analytic prescriptions for the galaxy power spectrum, parametric dependencies in the HOD model, and the behavior of galaxy bias as a function of HOD parameters. Additionally, we obtain fully nonlinear predictions for tangential shear correlations induced by galaxy-galaxy lensing from our galaxy-dark matter cross power spectrum emulator. All emulation products are publicly available at http://www.hep.anl.gov/cosmology/CosmicEmu/emu.html.
C1 [Kwan, Juliana; Heitmann, Katrin; Habib, Salman; Frontiere, Nicholas; Pope, Adrian] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA.
[Kwan, Juliana] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA.
[Heitmann, Katrin; Habib, Salman] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA.
[Heitmann, Katrin; Habib, Salman] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA.
[Padmanabhan, Nikhil] Yale Univ, Dept Phys, New Haven, CT 06520 USA.
[Lawrence, Earl] Los Alamos Natl Lab, Stat Sci, Los Alamos, NM 87545 USA.
[Finkel, Hal; Pope, Adrian] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA.
[Frontiere, Nicholas] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
RP Kwan, J (reprint author), Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA.
FU NASA; Scientific Discovery through Advanced Computing (SciDAC) program -
U.S. Department of Energy, Office of Science; DOE/SC
[DE-AC02-06CH11357]; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]; U.S. Department of Energy Office of Science
laboratory [DE-AC02-06CH11357]
FX J.K. thanks Dave Higdon and Amol Upadhye for useful discussions. Partial
support for J.K. and K.H. was provided by NASA. N.F. and S.H.
acknowledge partial support from the Scientific Discovery through
Advanced Computing (SciDAC) program funded by the U.S. Department of
Energy, Office of Science, jointly by Advanced Scientific Computing
Research and High Energy Physics.; This research used resources of the
Argonne Leadership Computing Facility (ALCF) under a Mira Early Science
Project program. The ALCF is supported by the DOE/SC under contract
DE-AC02-06CH11357. Some of the work was conducted at the National Energy
Research Scientific Computing Center, which is supported by the Office
of Science of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231.; The submitted manuscript has been created by
UChicago Argonne, LLC, Operator of Argonne National Laboratory
("Argonne"). Argonne, a U.S. Department of Energy Office of Science
laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S.
Government retains for itself, and others acting on its behalf, a
paid-up nonexclusive, irrevocable worldwide license in said article to
reproduce, prepare derivative works, distribute copies to the public,
and perform publicly and display publicly, by or on behalf of the
Government.
NR 77
TC 5
Z9 5
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-637X
EI 1538-4357
J9 ASTROPHYS J
JI Astrophys. J.
PD SEP 1
PY 2015
VL 810
IS 1
AR 35
DI 10.1088/0004-637X/810/1/35
PG 14
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA CS1CT
UT WOS:000361800900035
ER
PT J
AU Riemer-Sorensen, S
Wik, D
Madejski, G
Molendi, S
Gastaldello, F
Harrison, FA
Craig, WW
Hailey, CJ
Boggs, SE
Christensen, FE
Stern, D
Zhang, WW
Hornstrup, A
AF Riemer-Sorensen, S.
Wik, D.
Madejski, G.
Molendi, S.
Gastaldello, F.
Harrison, F. A.
Craig, W. W.
Hailey, C. J.
Boggs, S. E.
Christensen, F. E.
Stern, D.
Zhang, W. W.
Hornstrup, A.
TI DARK MATTER LINE EMISSION CONSTRAINTS FROM NuSTAR OBSERVATIONS OF THE
BULLET CLUSTER
SO ASTROPHYSICAL JOURNAL
LA English
DT Article
DE dark matter; line: identification; X-rays: galaxies: clusters
ID MASSIVE GALAXY CLUSTERS; XMM-NEWTON OBSERVATIONS; X-RAY-SPECTRA; STERILE
NEUTRINOS; URSA-MINOR; MILKY-WAY; LOW-COUNT; WILLMAN 1; SEARCH;
COSMOLOGY
AB Some dark matter candidates, e.g., sterile neutrinos, provide observable signatures in the form of mono-energetic line emission. We present the first search for dark matter line emission in the 3-80 keV range in a pointed observation of the Bullet Cluster with NuSTAR. We do not detect any significant line emission and instead we derive upper limits (95% CL) on the flux, and interpret these constraints in the context of sterile neutrinos and more generic dark matter candidates. NuSTAR does not have the sensitivity to constrain the recently claimed line detection at 3.5 keV, but improves on the constraints for energies of 10-25 keV.
C1 [Riemer-Sorensen, S.] Univ Oslo, Inst Theoret Astrophys, NO-0315 Oslo, Norway.
[Wik, D.; Zhang, W. W.] NASA Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA.
[Madejski, G.] SLAC Natl Accelerator Lab, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA.
[Molendi, S.; Gastaldello, F.] IASF Milano, INAF, I-20133 Milan, Italy.
[Harrison, F. A.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA.
[Craig, W. W.; Boggs, S. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA.
[Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA.
[Christensen, F. E.; Hornstrup, A.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark.
[Stern, D.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
RP Riemer-Sorensen, S (reprint author), Univ Oslo, Inst Theoret Astrophys, PO 1029, NO-0315 Oslo, Norway.
EM signe.riemer-sorensen@astro.uio.no
RI Gastaldello, Fabio/N-4226-2015; Boggs, Steven/E-4170-2015;
OI Gastaldello, Fabio/0000-0002-9112-0184; Boggs,
Steven/0000-0001-9567-4224; Riemer-Sorensen, Signe/0000-0002-5308-7651;
Molendi, Silvano/0000-0002-2483-278X
FU NASA
FX This research made use of data from the NuSTAR mission, a project led by
the California Institute of Technology, managed by the Jet Propulsion
Laboratory, and funded by NASA, and it also made use of the NuSTAR Data
Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data
Center (ASDC, Italy) and the California Institute of Technology (USA).
NR 54
TC 8
Z9 8
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-637X
EI 1538-4357
J9 ASTROPHYS J
JI Astrophys. J.
PD SEP 1
PY 2015
VL 810
IS 1
DI 10.1088/0004-637X/810/1/48
PG 7
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA CS1CT
UT WOS:000361800900048
ER
PT J
AU Story, KT
Hanson, D
Ade, PAR
Aird, KA
Austermann, JE
Beall, JA
Bender, AN
Benson, BA
Bleem, LE
Carlstrom, JE
Chang, CL
Chiang, HC
Cho, HM
Citron, R
Crawford, TM
Crites, AT
de Haan, T
Dobbs, MA
Everett, W
Gallicchio, J
Gao, J
George, EM
Gilbert, A
Halverson, NW
Harrington, N
Henning, JW
Hilton, GC
Holder, GP
Holzapfel, WL
Hoover, S
Hou, Z
Hrubes, JD
Huang, N
Hubmayr, J
Irwin, KD
Keisler, R
Knox, L
Lee, AT
Leitch, EM
Li, D
Liang, C
Luong-Van, D
McMahon, JJ
Mehl, J
Meyer, SS
Mocanu, L
Montroy, TE
Natoli, T
Nibarger, JP
Novosad, V
Padin, S
Pryke, C
Reichardt, CL
Ruhl, JE
Saliwanchik, BR
Sayre, JT
Schaffer, KK
Smecher, G
Stark, AA
Tucker, C
Vanderlinde, K
Vieira, JD
Wang, G
Whitehorn, N
Yefremenk, V
Zahn, O
AF Story, K. T.
Hanson, D.
Ade, P. A. R.
Aird, K. A.
Austermann, J. E.
Beall, J. A.
Bender, A. N.
Benson, B. A.
Bleem, L. E.
Carlstrom, J. E.
Chang, C. L.
Chiang, H. C.
Cho, H-M
Citron, R.
Crawford, T. M.
Crites, A. T.
de Haan, T.
Dobbs, M. A.
Everett, W.
Gallicchio, J.
Gao, J.
George, E. M.
Gilbert, A.
Halverson, N. W.
Harrington, N.
Henning, J. W.
Hilton, G. C.
Holder, G. P.
Holzapfel, W. L.
Hoover, S.
Hou, Z.
Hrubes, J. D.
Huang, N.
Hubmayr, J.
Irwin, K. D.
Keisler, R.
Knox, L.
Lee, A. T.
Leitch, E. M.
Li, D.
Liang, C.
Luong-Van, D.
McMahon, J. J.
Mehl, J.
Meyer, S. S.
Mocanu, L.
Montroy, T. E.
Natoli, T.
Nibarger, J. P.
Novosad, V.
Padin, S.
Pryke, C.
Reichardt, C. L.
Ruhl, J. E.
Saliwanchik, B. R.
Sayre, J. T.
Schaffer, K. K.
Smecher, G.
Stark, A. A.
Tucker, C.
Vanderlinde, K.
Vieira, J. D.
Wang, G.
Whitehorn, N.
Yefremenk, V.
Zahn, O.
TI A MEASUREMENT OF THE COSMIC MICROWAVE BACKGROUND GRAVITATIONAL LENSING
POTENTIAL FROM 100 SQUARE DEGREES OF SPTPOL DATA
SO ASTROPHYSICAL JOURNAL
LA English
DT Article
DE cosmic background radiation; cosmology: observations; large-scale
structure of universe
ID SOUTH-POLE TELESCOPE; POWER SPECTRUM; DAMPING TAIL; DARK-MATTER; SZ
SURVEY; CMB; POLARIZATION; FLUCTUATIONS; RADIATION
AB We present a measurement of the cosmic microwave background (CMB) gravitational lensing potential using data from the first two seasons of observations with SPTpol, the polarization-sensitive receiver currently installed on the South Pole Telescope. The observations used in this work cover 100 deg(2) of sky with arcminute resolution at 150 GHz. Using a quadratic estimator, we make maps of the CMB lensing potential from combinations of CMB temperature and polarization maps. We combine these lensing potential maps to form a minimum-variance (MV) map. The lensing potential is measured with a signal-to-noise ratio of greater than one for angular multipoles between 100 < L < 250. This is the highest signal-to-noise mass map made from the CMB to date and will be powerful in cross-correlation with other tracers of large-scale structure. We calculate the power spectrum of the lensing potential for each estimator, and we report the value of the MV power spectrum between 100 2 Sequestration R&D Program. The
funding is managed by National Energy Technology Laboratory.; Portions
of this work were performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344 and by Los Alamos National Laboratory under Contract
DE-AC52-06NA25396.
NR 160
TC 15
Z9 15
U1 5
U2 33
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD SEP
PY 2015
VL 40
SI SI
BP 292
EP 311
DI 10.1016/j.ijggc.2015.06.014
PG 20
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CR8BW
UT WOS:000361577100012
ER
PT J
AU Macdonald, R
Sarkar, D
Amer, BR
Clubb, RT
AF Macdonald, Ramsay
Sarkar, Dibyendu
Amer, Brendan R.
Clubb, Robert T.
TI Solution structure of the PhoP DNA-binding domain from Mycobacterium
tuberculosis
SO JOURNAL OF BIOMOLECULAR NMR
LA English
DT Article
ID RESPONSE REGULATOR PHOP; NMR STRUCTURE DETERMINATION; CHEMICAL-SHIFTS;
VIRULENCE
C1 [Macdonald, Ramsay; Amer, Brendan R.; Clubb, Robert T.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
[Macdonald, Ramsay; Amer, Brendan R.] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA.
[Clubb, Robert T.] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90095 USA.
[Sarkar, Dibyendu] CSIR, Inst Microbial Technol, Chandigarh 160036, India.
RP Clubb, RT (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 602 Boyer Hall, Los Angeles, CA 90095 USA.
EM rclubb@mbi.ucla.edu
FU National Institutes of Health [AI52217]; Cellular and Molecular Biology
Training Grant (Ruth L. Kirschstein National Research Service Award)
[GM007185]; Council of Scientific and Industrial Research (CSIR),
Government of India; University of California-Los Angeles, Molecular
Biology Institute; US. Department of Energy Office of Science, Office of
Biological and Environmental Research program [DE-FC02-02ER63421]
FX We would like to thank Albert H. Chan and Megan Sjodt for guidance
throughout the structure determination process. We would like to thank
Dr. Robert Peterson for assistance with NMR experiments. This work was
supported by the National Institutes of Health grant AI52217 to RTC. R.
M. was supported by a Cellular and Molecular Biology Training Grant
(Ruth L. Kirschstein National Research Service Award GM007185). D. S.
was supported by Raman Research Fellowship from the Council of
Scientific and Industrial Research (CSIR), Government of India. B. R. A.
was supported by a Whitcome Predoctoral Training Grant, University of
California-Los Angeles, Molecular Biology Institute. This material is
based upon work supported by the US. Department of Energy Office of
Science, Office of Biological and Environmental Research program under
Award Number DE-FC02-02ER63421.
NR 29
TC 1
Z9 1
U1 0
U2 5
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0925-2738
EI 1573-5001
J9 J BIOMOL NMR
JI J. Biomol. NMR
PD SEP
PY 2015
VL 63
IS 1
BP 111
EP 117
DI 10.1007/s10858-015-9965-0
PG 7
WC Biochemistry & Molecular Biology; Spectroscopy
SC Biochemistry & Molecular Biology; Spectroscopy
GA CR8OD
UT WOS:000361612700011
PM 26209027
ER
PT J
AU Ahn, S
Dong, C
Zhu, WD
Kim, BJ
Hwang, YH
Ren, F
Pearton, SJ
Yang, G
Kim, J
Patrick, E
Tracy, B
Smith, DJ
Kravchenko, II
AF Ahn, Shihyun
Dong, Chen
Zhu, Weidi
Kim, Byung-Jae
Hwang, Ya-Hsi
Ren, Fan
Pearton, Stephen J.
Yang, Gwangseok
Kim, Jihyun
Patrick, Erin
Tracy, Brian
Smith, David J.
Kravchenko, Ivan I.
TI Effect of proton irradiation energy on AlGaN/GaN metal-oxide
semiconductor high electron mobility transistors
SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B
LA English
DT Article
ID FIELD-EFFECT TRANSISTORS; RF PERFORMANCE; HEMTS; DIODES; MGO; DC
AB The effects of proton irradiation energy on dc characteristics of AlGaN/GaN metal-oxide semiconductor high electron mobility transistors (MOSHEMTs) using Al2O3 as the gate dielectric were studied. Al2O3/AlGaN/GaN MOSHEMTs were irradiated with a fixed proton dose of 5 x 10(15) cm(-2) at different energies of 5, 10, or 15 MeV. More degradation of the device dc characteristics was observed for lower irradiation energy due to the larger amount of nonionizing energy loss in the active region of the MOSHEMTs under these conditions. The reductions in saturation current were 95.3%, 68.3%, and 59.8% and reductions in maximum transconductance were 88%, 54.4%, and 40.7% after 5, 10, and 15MeV proton irradiation, respectively. Both forward and reverse gate leakage current were reduced more than one order of magnitude after irradiation. The carrier removal rates for the irradiation energies employed in this study were in the range of 127-289 cm(-1). These are similar to the values reported for conventional metal-gate high-electron mobility transistors under the same conditions and show that the gate dielectric does not affect the response to proton irradiation for these energies. (C) 2015 American Vacuum Society.
C1 [Ahn, Shihyun; Dong, Chen; Zhu, Weidi; Kim, Byung-Jae; Hwang, Ya-Hsi; Ren, Fan] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
[Pearton, Stephen J.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
[Yang, Gwangseok; Kim, Jihyun] Korea Univ, Dept Chem & Biol Engn, Seoul 136713, South Korea.
[Patrick, Erin] Univ Florida, Dept Elect & Comp Engn, Gainesville, FL 32611 USA.
[Tracy, Brian; Smith, David J.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA.
[Kravchenko, Ivan I.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA.
RP Ahn, S (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA.
EM fren@che.ufl.edu
RI Kravchenko, Ivan/K-3022-2015; Patrick, Erin/F-2948-2017
OI Kravchenko, Ivan/0000-0003-4999-5822;
FU U.S. DOD HDTRA [1-11-1-0020]; NSF [ECCS-1445720]
FX The work performed at UF was supported by an U.S. DOD HDTRA Grant No.
1-11-1-0020 monitored by James Reed and a NSF Grant No. ECCS-1445720
monitored by Mahmoud Fallahi. A portion of this research was conducted
at the Center for Nanophase Materials Sciences, which is a DOE Office of
Science User Facility.
NR 21
TC 2
Z9 2
U1 2
U2 12
PU A V S AMER INST PHYSICS
PI MELVILLE
PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA
SN 1071-1023
J9 J VAC SCI TECHNOL B
JI J. Vac. Sci. Technol. B
PD SEP
PY 2015
VL 33
IS 5
AR 051208
DI 10.1116/1.4928730
PG 6
WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology;
Physics, Applied
SC Engineering; Science & Technology - Other Topics; Physics
GA CS1NN
UT WOS:000361833200012
ER
PT J
AU Hershcovitch, A
Blaskiewicz, M
Brennan, JM
Fischer, W
Liaw, CJ
Meng, WZ
Todd, R
Custer, A
Dingus, A
Erickson, M
Jamshidi, N
Poole, HJ
AF Hershcovitch, Ady
Blaskiewicz, Michael
Brennan, Joesph Michael
Fischer, Wolfram
Liaw, Chong-Jer
Meng, Wuzhang
Todd, Robert
Custer, Art
Dingus, Aaron
Erickson, Mark
Jamshidi, Nader
Poole, Henry Joe
TI Novel techniques and devices for in-situ film coatings of long, small
diameter tubes or elliptical and other surface contours
SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B
LA English
DT Article
ID THIN-FILMS; ION-SOURCE; DEPOSITION; VACUUM; NITRIDE
AB Devices and techniques that can, via physical vapor deposition, coat various surface contours or very long small aperture pipes, are described. Recently, a magnetron mole was developed in order to in-situ coat accelerator tube sections of the Brookhaven National Lab relativistic heavy ion collider that have 7.1 cm diameter with access points that are 500 m apart, for copper coat the accelerator vacuum tube in order to alleviate the problems of unacceptable ohmic heating and of electron clouds. A magnetron with a 50 cm long cathode was designed fabricated and successfully operated to copper coat a whole assembly containing a full-size, stainless steel, cold bore, of the accelerator magnet tubing connected to two types bellows, to which two additional pipes made of accelerator tubing were connected. The magnetron is mounted on a carriage with spring loaded wheels that successfully crossed bellows and adjusted for variations in vacuum tube diameter, while keeping the magnetron centered. Electrical power and cooling water were fed through a cable bundle. The umbilical cabling system, which is enclosed in a flexible braided metal sleeve, is driven by a motorized spool. To increase cathode lifetime, movable magnet package was developed, and thickest possible cathode was made, with a rather challenging target to substrate distance of less than 1.5 cm. Optimized process to ensure excellent adhesion was developed. Coating thickness of 10 mu m Cu passed all industrial tests and even exceeded maximum capability of a 12 kg pull test fixture. Room temperature radio frequency (RF) resistivity measurement indicated that 10 mu m Cu coated stainless steel accelerator tube has conductivity close to copper tubing. Work is in progress to repeat the RF resistivity measurement at cryogenic temperatures. Over 20 years ago, a device using multiaxis robotic manipulators controlling separate robotic assemblies resulted in nine-axes of motion combined with conformal shape of the cathodes that can adapt to various curved surface contours was developed and successfully used for depositing optical coating on aircraft canopies. The techniques can be utilized for in situ coating of elliptical and other surface contour RF cavities and long beam pipes with thick superconducting films. Plans are to incorporate ion assisted deposition in those techniques for attaining dense, adherent and defect free coatings. (C) 2015 American Vacuum Society.
C1 [Hershcovitch, Ady; Blaskiewicz, Michael; Brennan, Joesph Michael; Fischer, Wolfram; Liaw, Chong-Jer; Meng, Wuzhang; Todd, Robert] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Custer, Art; Dingus, Aaron; Erickson, Mark; Jamshidi, Nader; Poole, Henry Joe] PVI, Oxnard, CA 93031 USA.
RP Hershcovitch, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM hershcovitch@bnl.gov
FU U.S. Department of Energy [DE-AC02-98CH1-886]
FX Work supported under Contract No. DE-AC02-98CH1-886 with the U.S.
Department of Energy. One of us (A.H.) gratefully acknowledges Mauro
Taborelli for his advice and members of Mauro's group at CERN for
performing SEY measurements. Notice: This manuscript has been authored
by Brookhaven Science Associates, LLC, under Contract No.
DE-AC02-98CH1-886 with the U.S. Department of Energy.
NR 40
TC 0
Z9 0
U1 3
U2 11
PU A V S AMER INST PHYSICS
PI MELVILLE
PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA
SN 1071-1023
J9 J VAC SCI TECHNOL B
JI J. Vac. Sci. Technol. B
PD SEP
PY 2015
VL 33
IS 5
AR 052601
DI 10.1116/1.4927373
PG 12
WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology;
Physics, Applied
SC Engineering; Science & Technology - Other Topics; Physics
GA CS1NN
UT WOS:000361833200050
ER
PT J
AU Fowler, APG
Zierenberg, RA
Schiffman, P
Marks, N
Frioleifsson, GO
AF Fowler, Andrew P. G.
Zierenberg, Robert A.
Schiffman, Peter
Marks, Naomi
Frioleifsson, Guomundur Omar
TI Evolution of fluid-rock interaction in the Reykjanes geothermal system,
Iceland: Evidence from Iceland Deep Drilling Project core RN-17B
SO JOURNAL OF VOLCANOLOGY AND GEOTHERMAL RESEARCH
LA English
DT Article
DE Iceland; Geothermal; Reykjanes; Hydrothermal alteration; Epidote; RN-17B
Drill Core
ID SEA-FLOOR METAMORPHISM; UPPER OCEANIC-CRUST; MID-ATLANTIC RIDGE;
HYDROTHERMAL FLUIDS; MIDOCEAN RIDGES; STABLE-ISOTOPE; MASS-TRANSFER;
HOLE 504B; EPIDOTE; CONSTRAINTS
AB We describe the lithology and present spatially resolved geochemical analyses of samples from the hydrothermally altered Iceland Deep Drilling Project (IDDP) drill core RN-17B. The 9.3 m long RN-17B core was collected from the seawater-dominated Reykjanes geothermal system, located on the Reykjanes Peninsula, Iceland. The nature of fluids and the location of the Reykjanes geothermal system make it a useful analog for seafloor hydrothermal processes, although there are important differences. The recovery of drill core from the Reykjanes geothermal system, as opposed to drill cuttings, has provided the opportunity to investigate evolving geothermal conditions by utilizing in-situ geochemical techniques in the context of observed paragenetic and spatial relationships of alteration minerals. The RN-17B core was returned from a vertical depth of similar to 2560 m and an in-situ temperature of similar to 345 degrees C. The primary lithologies are basaltic in composition and include hyaloclastite breccia, fine-grained volcanic sandstone, lithic breccia, and crystalline basalt. Primary igneous phases have been entirely pseudomorphed by calcic plagioclase + magnesium hornblende + chlorite + titanite + albitized plagioclase + vein epidote and sulfides. Despite the extensive hydrothermal metasomatism, original textures including hyaloclastite glass shards, lithic clasts, chilled margins, and shell-fragment molds are superbly preserved. Multi-collector LA-ICP-MS strontium isotope ratio (Sr-87/Sr-86) measurements of vein epidote from the core are consistent with seawater as the dominant recharge fluid. Epidote-hosted fluid inclusion homogenization temperature and freezing point depression measurements suggest that the RN-17B core records cooling through the two-phase boundary for seawater over time to current in-situ measured temperatures. Electron microprobe analyses of hydrothermal hornblende and hydrothermal plagioclase confirm that while alteration is of amphibolite-grade, it is in disequilibrium and the extent of alteration is dependent upon protolith type and water/rock ratio. Alteration in the RN-17B core bares many similarities to that of Type II basalts observed in Mid-Atlantic Ridge samples. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Fowler, Andrew P. G.; Zierenberg, Robert A.; Schiffman, Peter] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
[Marks, Naomi] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Frioleifsson, Guomundur Omar] HS Orka, Hf Reykjanesbaer, Iceland.
RP Fowler, APG (reprint author), Univ Calif Davis, Dept Geol, Davis, CA 95616 USA.
EM apfowler@ucdavis.edu
RI Zierenberg, Robert/F-9329-2012;
OI Zierenberg, Robert/0000-0001-9384-7355; Fowler,
Andrew/0000-0001-8908-3495; Marks, Naomi/0000-0002-4737-9877
FU NSF's Continental Dynamics Program; National Science Foundation [EAR
0507518]
FX RN-17B was recovered at considerable expense, thanks in large part to
funding from NSF's Continental Dynamics Program. The research described
herein was supported by the National Science Foundation grant EAR
0507518. Samples for this study were provided by IDDP. I would like to
thank Qin-Zhu Yin and Josh Wimpeny for coordinating access to the
LA-MC-ICP-MS facility at UC Davis. I would also like to thank HS Orka
for their hospitality and for providing access to drill core samples at
the Reykjanes geothermal field.
NR 81
TC 5
Z9 5
U1 2
U2 20
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0377-0273
EI 1872-6097
J9 J VOLCANOL GEOTH RES
JI J. Volcanol. Geotherm. Res.
PD SEP 1
PY 2015
VL 302
BP 47
EP 63
DI 10.1016/j.jvolgeores.2015.06.009
PG 17
WC Geosciences, Multidisciplinary
SC Geology
GA CR8CP
UT WOS:000361579000005
ER
PT J
AU Caselli, N
Intonti, F
La China, F
Riboli, F
Gerardino, A
Bao, W
Bargioni, AW
Li, LH
Linfield, EH
Pagliano, F
Fiore, A
Gurioli, M
AF Caselli, Niccolo
Intonti, Francesca
La China, Federico
Riboli, Francesco
Gerardino, Annamaria
Bao, Wei
Bargioni, Alexander Weber
Li, Lianhe
Linfield, Edmund H.
Pagliano, Francesco
Fiore, Andrea
Gurioli, Massimo
TI Ultra-subwavelength phase-sensitive Fano-imaging of localized photonic
modes
SO LIGHT-SCIENCE & APPLICATIONS
LA English
DT Article
DE nanocavity; nanophotonics; near-field; phase retrieval;
resonant-scattering
ID SINGLE QUANTUM-DOT; CAVITY; NANOCAVITIES; RESONANCES; SCATTERING;
SYSTEMS; LIGHT
AB Photonic and plasmonic devices rely on nanoscale control of the local density of optical states (LDOS) in dielectric and metallic environments. The tremendous progress in designing and tailoring the electric LDOS of nano-resonators requires an investigation tool that is able to access the detailed features of the optical localized resonant modes with deep-subwavelength spatial resolution. This scenario has motivated the development of different nanoscale imaging techniques. Here, we prove that a technique involving the combination of scanning near-field optical microscopy with resonant scattering spectroscopy enables imaging the electric LDOS in nano-resonators with outstanding spatial resolution (lambda/19) by means of a pure optical method based on light scattering. Using this technique, we investigate the properties of photonic crystal nanocavities, demonstrating that the resonant modes appear as characteristic Fano line shapes, which arise from interference. Therefore, by monitoring the spatial variation of the Fano line shape, we locally measure the phase modulation of the resonant modes without the need of external heterodyne detection. This novel, deep-subwavelength imaging method allows us to access both the intensity and the phase modulation of localized electric fields. Finally, this technique could be implemented on any type of platform, being particularly appealing for those based on non-optically active material, such as silicon, glass, polymers, or metals.
C1 [Caselli, Niccolo; Intonti, Francesca; La China, Federico; Gurioli, Massimo] European Lab Nonlinear Spect, I-50019 Sesto Fiorentino, FI, Italy.
[Caselli, Niccolo; Intonti, Francesca; La China, Federico; Gurioli, Massimo] Univ Florence, Dept Phys, I-50019 Sesto Fiorentino, FI, Italy.
[Riboli, Francesco] Univ Trento, Dept Phys, I-38123 Povo, TN, Italy.
[Gerardino, Annamaria] CNR, Inst Photon & Nanotechnol, I-00156 Rome, Italy.
[Bao, Wei; Bargioni, Alexander Weber] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Li, Lianhe; Linfield, Edmund H.] Univ Leeds, Sch Elect & Elect Engn, Leeds LS2 9JT, W Yorkshire, England.
[Pagliano, Francesco; Fiore, Andrea] Eindhoven Univ Technol, COBRA Res Inst, NL-5600 MB Eindhoven, Netherlands.
RP Caselli, N (reprint author), European Lab Nonlinear Spect, Via Nello Carrara 1, I-50019 Sesto Fiorentino, FI, Italy.
EM caselli@lens.unifi.it
RI Gerardino, Annamaria/C-8403-2012; Foundry, Molecular/G-9968-2014;
OI Gerardino, Annamaria/0000-0003-1869-1092; Intonti,
Francesca/0000-0002-8507-3342
FU FET project [FP7 618025 CARTOON]; Netherlands Organization for
Scientific Research (NWO)
FX This work was supported by the FET project FP7 618025 CARTOON and is
part of the research program of the Foundation for Fundamental Research
on Matter (FOM), which is financially supported by the Netherlands
Organization for Scientific Research (NWO).
NR 38
TC 8
Z9 8
U1 6
U2 37
PU CHINESE ACAD SCIENCES, CHANGCHUN INST OPTICS FINE MECHANICS AND PHYSICS
PI CHANGCHUN
PA 3888, DONGNANHU ROAD, CHANGCHUN, 130033, PEOPLES R CHINA
SN 2047-7538
J9 LIGHT-SCI APPL
JI Light-Sci. Appl.
PD SEP
PY 2015
VL 4
AR e326
DI 10.1038/lsa.2015.99
PG 8
WC Optics
SC Optics
GA CS1EQ
UT WOS:000361805800002
ER
PT J
AU Lin, PP
Mi, L
Moriok, AH
Yoshino, MM
Konishi, S
Xu, SC
Papanek, BA
Riley, LA
Guss, AM
Liao, JC
AF Lin, Paul P.
Mi, Luo
Moriok, Amy H.
Yoshino, Mould M.
Konishi, Sawako
Xu, Sharon C.
Papanek, Beth A.
Riley, Lauren A.
Guss, Adam M.
Liao, James C.
TI Consolidated bioprocessing of cellulose to isobutanol using Clostridium
thermocellum
SO METABOLIC ENGINEERING
LA English
DT Article
DE Biofuel; Consolidated bioprocessing; Clostridium thermocellum; Butanol
ID ESCHERICHIA-COLI; HIGHER ALCOHOLS; FERMENTATION; PLASMID; GROWTH;
CARBON; EXPRESSION; BIOFUELS; SYSTEM; GENOME
AB Consolidated bioprocessing (CBP) has the potential to reduce bioluel or biochemical production costs by processing cellulose hydrolysis and fermentation simultaneously without the addition of pre manufactured cellulases. In particular, Clostridium thertnocellum is a promising thermophilic CBP host because of its high cellulose decomposition rate. Here we report the engineering of C. thermocellum to produce isobutanol. Metabolic engineering for isobutanol production in C thermocellurn is hampered by enzyme toxicity during cloning, time consuming pathway engineering procedures, and slow turnaround in production tests. In this work, we first cloned essential isobutanol pathway genes under different promoters to create various plasmid constructs in Escherichiu coli. Then, these constructs were transformed and tested in C. thermocellurn. Among these engineered strains, the best isobutanol producer was selected and the production conditions were optimized. We confirmed the expression of the overexpressed genes by their mRNA quantities. We also determined that both the native ketoisovalerate oxidoreductase (KOR) and the heterologous ketoisovalerate decarboxylase (MVO) expressed were responsible for isobutanol production. We further found that the plasmid was integrated into the chromosome by single crossover. The resulting strain was stable without antibiotic selection pressure. This strain produced 5.4 g/L of isobutanol horn cellulose in minimal medium at 50 C within 75 h, Coffesponding to 41% of theoretical yield. (C) 2015 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.
C1 [Lin, Paul P.; Mi, Luo; Moriok, Amy H.; Yoshino, Mould M.; Konishi, Sawako; Xu, Sharon C.; Liao, James C.] Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA.
[Liao, James C.] Univ Calif Los Angeles, DOE, Inst Genom & Prote, Los Angeles, CA 90024 USA.
[Papanek, Beth A.; Riley, Lauren A.; Guss, Adam M.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Papanek, Beth A.; Guss, Adam M.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA.
[Riley, Lauren A.; Guss, Adam M.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
RP Liao, JC (reprint author), Univ Calif Los Angeles, Dept Chem & Biomol Engn, 5531 Boelter Hall,420 Westwood Plaza, Los Angeles, CA 90095 USA.
EM liaoj@seas.ucla.edu
RI Guss, Adam/A-6204-2011
OI Guss, Adam/0000-0001-5823-5329
FU DOE BioEnergy Science Center (BESC); National Science Foundation
[0963183]; American Recovery and Reinvestment Act of (ARRA)
FX This research was supported by the DOE BioEnergy Science Center (BESC).
This material is based upon research performed in a renovated
collaborator by the National Science Foundation under Grant no. 0963183,
which is an award funded under the American Recovery and Reinvestment
Act of 2009 (ARRA). We thank Katherine Chou and Pinching Maness for
providing the C. thermocellum DSM1313 Delta hpt strain. We thank Dan
Olson and Evert Holwerda for the scientific discussion. We thank
Jennifer L. Takasumi, Annabel Lee, Joseph G. Leong and Mickeala Tu for
their technical assistance.
NR 28
TC 17
Z9 17
U1 7
U2 38
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1096-7176
EI 1096-7184
J9 METAB ENG
JI Metab. Eng.
PD SEP
PY 2015
VL 31
BP 44
EP 52
DI 10.1016/j.ymben.2015.07.001
PG 9
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA CS0EQ
UT WOS:000361731100005
PM 26170002
ER
PT J
AU Sun, YG
AF Sun, Yugang
TI Interfaced heterogeneous nanodimers
SO NATIONAL SCIENCE REVIEW
LA English
DT Review
DE nanoparticles; nanodimers; hybrid nanostructure; heterogeneous
nucleation; growth
ID COLLOIDAL SEMICONDUCTOR NANORODS; OXIDE HETERODIMER NANOCRYSTALS; OXYGEN
REDUCTION REACTION; ONE-STEP SYNTHESIS; HYBRID NANOPARTICLES; SELECTIVE
GROWTH; SEEDED GROWTH; SILVER NANOPARTICLES; METAL TIPS; MINIEMULSION
POLYMERIZATION
AB Dimerization of different nanocomponents in single nanoparticles becomes interesting due to not only inheritance of properties of both components but also generation of new properties associated with strong coupling of the two components. As a class of emerging nanomaterials, interfaced heterogeneous nanodimers (IHNDs) are attracting more attentions in the field of materials research, in particular, nanoscience and nanotechnology. This review provides a timely and comprehensive overview on the general principles for the synthesis of IHNDs and typical examples of IHNDs made of various compositional combinations. The current challenges related to the synthesis and characterization of IHNDs are summarized at the end of the review and future research directions are also discussed.
C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Sun, YG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ygsun@anl.gov
RI Sun, Yugang /A-3683-2010
OI Sun, Yugang /0000-0001-6351-6977
FU Center for Nanoscale Materials, a US Department of Energy Office of
Science User Facility [DE-AC02-06CH11357]
FX This work was performed at the Center for Nanoscale Materials, a US
Department of Energy Office of Science User Facility under Contract No.
DE-AC02-06CH11357.
NR 102
TC 10
Z9 10
U1 8
U2 42
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 2095-5138
EI 2053-714X
J9 NATL SCI REV
JI Natl. Sci. Rev.
PD SEP
PY 2015
VL 2
IS 3
BP 329
EP 348
DI 10.1093/nsr/nwv037
PG 20
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA CS0QR
UT WOS:000361767800017
ER
PT J
AU Kucerka, N
Heberle, FA
Pan, JJ
Katsaras, J
AF Kucerka, Norbert
Heberle, Frederick A.
Pan, Jianjun
Katsaras, John
TI Structural Significance of Lipid Diversity as Studied by Small Angle
Neutron and X-ray Scattering
SO MEMBRANES
LA English
DT Review
DE lipidome; bilayer; structure; X-ray scattering; neutron scattering;
lipid area
ID BILAYER STRUCTURE DETERMINATION; MOLECULAR-DYNAMICS SIMULATIONS;
ATOMIC-FORCE MICROSCOPY; ACYL CHAIN-LENGTH; GEL PHASE; UNSATURATED
PHOSPHATIDYLCHOLINES; BIOMOLECULAR SIMULATIONS; MEMBRANE-PROTEINS;
LECITHIN BILAYERS; OUTER-MEMBRANE
AB We review recent developments in the rapidly growing field of membrane biophysics, with a focus on the structural properties of single lipid bilayers determined by different scattering techniques, namely neutron and X-ray scattering. The need for accurate lipid structural properties is emphasized by the sometimes conflicting results found in the literature, even in the case of the most studied lipid bilayers. Increasingly, accurate and detailed structural models require more experimental data, such as those from contrast varied neutron scattering and X-ray scattering experiments that are jointly refined with molecular dynamics simulations. This experimental and computational approach produces robust bilayer structural parameters that enable insights, for example, into the interplay between collective membrane properties and its components (e.g., hydrocarbon chain length and unsaturation, and lipid headgroup composition). From model studies such as these, one is better able to appreciate how a real biological membrane can be tuned by balancing the contributions from the lipid's different moieties (e.g., acyl chains, headgroups, backbones, etc.).
C1 [Kucerka, Norbert] Joint Inst Nucl Res, Frank Lab Neutron Phys, Dubna 141980, Moscow Region, Russia.
[Kucerka, Norbert] Comenius Univ, Fac Pharm, Dept Phys Chem Drugs, Bratislava 83232, Slovakia.
[Heberle, Frederick A.; Katsaras, John] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
[Heberle, Frederick A.; Katsaras, John] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA.
[Pan, Jianjun] Univ S Florida, Dept Phys, Tampa, FL 33620 USA.
[Katsaras, John] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
RP Kucerka, N (reprint author), Joint Inst Nucl Res, Frank Lab Neutron Phys, Dubna 141980, Moscow Region, Russia.
EM kucerka@nf.jinr.ru; heberlefa@ornl.gov; panj@usf.edu; katsarasj@ornl.gov
OI Katsaras, John/0000-0002-8937-4177
NR 90
TC 5
Z9 5
U1 3
U2 22
PU MDPI AG
PI BASEL
PA POSTFACH, CH-4005 BASEL, SWITZERLAND
SN 2077-0375
J9 MEMBRANES
JI Membranes
PD SEP
PY 2015
VL 5
IS 3
BP 454
EP 472
DI 10.3390/membranes5030454
PG 19
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CS0OY
UT WOS:000361762600009
PM 26402708
ER
PT J
AU Kipp, D
Mok, J
Strzalka, J
Darling, SB
Ganesan, V
Verduzco, R
AF Kipp, Dylan
Mok, Jorge
Strzalka, Joseph
Darling, Seth B.
Ganesan, Venkat
Verduzco, Rafael
TI Rational Design of Thermally Stable, Bicontinuous Donor/Acceptor
Morphologies with Conjugated Block Copolymer Additives
SO ACS MACRO LETTERS
LA English
DT Article
ID HETEROJUNCTION SOLAR-CELLS; ORGANIC PHOTOVOLTAICS; POLYMERIC
MICROEMULSIONS; DIBLOCK COPOLYMER; PHASE-SEPARATION; COMPATIBILIZERS;
BLENDS; PERFORMANCE; EFFICIENCY
AB The bicontinuous microemulsion (B mu E) phase is an equilibrium morphology characterized by cocontinuous domains, high interfacial areas, and nanoscale domain dimensions. These characteristics make the B mu E potentially suitable for use in organic photovoltaic applications. Here, we use a combination of simulations and experiments to investigate the equilibrium morphologies formed by a ternary blend of conjugated polymer, all-conjugated diblock copolymer, and fullerene derivative PCBM. Using coarse-grained simulations, we identify the blend compositions that are most likely to result in donor/acceptor morphologies resembling the B mu E. Experimentally, we probe these compositions through transmission electron microscopy and grazing-incidence X-ray scattering measurements. We demonstrate that all-conjugated block copolymer additives can be used to produce thermally stable, cocontinuous donor/acceptor morphologies at higher additive contents and longer annealing times than previously reported. These results demonstrate that conjugated BCP compatibilizers can be used as a means to achieve equilibrium, cocontinuous morphologies in donor/acceptor blends.
C1 [Kipp, Dylan; Ganesan, Venkat] Univ Texas Austin, Dept Chem Engn, Austin, TX 78712 USA.
[Mok, Jorge; Verduzco, Rafael] Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA.
[Verduzco, Rafael] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
[Strzalka, Joseph] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Darling, Seth B.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
RP Verduzco, R (reprint author), Rice Univ, Dept Chem & Biomol Engn, Houston, TX 77005 USA.
EM rafaelv@rice.edu
FU Robert A. Welch Foundation [F1599]; National Science Foundation
[CBET-1264583, NSF-1264703]; U.S. Army Research Office
[W911NF-13-1-0396]; U.S. Department of Energy, Office of Science, Office
of Basic Energy Sciences in the Institute for Molecular Engineering;
Center for Nanoscale Materials; Advanced Photon Source at Argonne
National Laboratory [DE-AC02-06CH11357]
FX We acknowledge Prof. Chris Ellison for useful discussions. This work was
supported in part by grants from the Robert A. Welch Foundation (Grant
F1599), the National Science Foundation (CBET-1264583 and NSF-1264703),
and the U.S. Army Research Office (W911NF-13-1-0396). The authors
acknowledge the Texas Advanced Computing Center (TACC) at The University
of Texas at Austin for providing computing resources that have
contributed to the research results reported within this paper. This
work was supported in part by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences in the Institute for Molecular
Engineering, the Center for Nanoscale Materials, and the Advanced Photon
Source at Argonne National Laboratory under Contract No.
DE-AC02-06CH11357.
NR 27
TC 14
Z9 14
U1 10
U2 53
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2161-1653
J9 ACS MACRO LETT
JI ACS Macro Lett.
PD SEP
PY 2015
VL 4
IS 9
BP 867
EP 871
DI 10.1021/acsmacrolett.5b00413
PG 5
WC Polymer Science
SC Polymer Science
GA CR5ZX
UT WOS:000361424000002
ER
PT J
AU Hentschel, M
Ferry, VE
Alivisatos, AP
AF Hentschel, Mario
Ferry, Vivian E.
Alivisatos, A. Paul
TI Optical Rotation Reversal in the Optical Response of Chiral Plasmonic
Nanosystems: The Role of Plasmon Hybridization
SO ACS PHOTONICS
LA English
DT Article
DE surface plasmons; circular dichrosim; chirality; plasmon hybridization
ID CIRCULAR-DICHROISM; NANOPARTICLE ASSEMBLIES; PHOTONIC METAMATERIAL;
SILVER NANOPARTICLES; NANOSTRUCTURES; GOLD; SPECTRA; FIELDS; ARRAYS;
MODEL
AB Chirality is an important molecular property for structural analysis. Similarly, it has been shown that plasmonic chiral systems exhibit strong circular dichroism (CD) responses that can be used to determine the relative positions of their constituent plasmonic elements. Here we show that the sign of the circular dichroism spectrum in a plasmonic system can be controllably changed through small geometric perturbations that change the energetic ordering of the hybridized modes. This mechanism is distinct from geometrical changes that explicitly change the handedness of the system. In a simple system composed of two stacked L-shaped resonators we observe a reversal of the optical rotation spectral signature for small relative shifts, and we show through electromagnetic modeling and experiments on lithographically patterned samples that this is due to a rearrangement of the relative energies between modes. The plasmonic system allows for geometric perturbation along controlled directions and therefore offers more control than corresponding molecular examples. Interestingly, this strong sensitivity in the optical response encodes more spatial information into the optical spectrum, emphasizing the importance of chiral plasmonic assemblies for structural investigations on the nanoscale.
C1 [Hentschel, Mario; Alivisatos, A. Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Ferry, Vivian E.] Univ Minnesota Twin Cities, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM alivis@berkeley.edu
RI Hentschel, Mario/N-2093-2015; Alivisatos , Paul /N-8863-2015
OI Alivisatos , Paul /0000-0001-6895-9048
FU Alexander von Humboldt Foundation through a Feodor Lynen Research
Fellowship; National Science Foundation [DMR-1344290]
FX M.H. gratefully acknowledges financial support by the Alexander von
Humboldt Foundation through a Feodor Lynen Research Fellowship. This
material is based upon work supported by the National Science Foundation
under Grant DMR-1344290. The authors acknowledge the Marvell
Nanofabrication Laboratory for the use of their facilities and the group
of Xiang Zhang for the use of their FTIR spectrometer.
NR 45
TC 5
Z9 5
U1 20
U2 74
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD SEP
PY 2015
VL 2
IS 9
BP 1253
EP 1259
DI 10.1021/acsphotonics.5b00354
PG 7
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA CR7CH
UT WOS:000361505000005
ER
PT J
AU Lei, DY
Appavoo, K
Ligmajer, F
Sonnefraud, Y
Haglund, RF
Maier, SA
AF Lei, Dang Yuan
Appavoo, Kannatassen
Ligmajer, Filip
Sonnefraud, Yannick
Haglund, Richard F., Jr.
Maier, Stefan A.
TI Optically-Triggered Nanoscale Memory Effect in a Hybrid Plasmonic-Phase
Changing Nanostructure
SO ACS PHOTONICS
LA English
DT Article
DE surface plasmons; metal nanoparticles; vanadium dioxides; plasmonic
memory effect; phase transformation
ID VANADIUM DIOXIDE; RESONANCE SPECTROSCOPY; INSULATOR-TRANSITION; VO2;
METAMATERIALS; INTERFEROMETERS; SEMICONDUCTOR; NANOPARTICLES;
ENHANCEMENT; MODULATION
AB Nanoscale devices, such as all-optical modulators and electro-optical transducers, can be implemented in heterostructures that integrate plasmonic nanostructures with functional active materials. Here we demonstrate all-optical control of a nanoscale memory effect in such a heterostructure by coupling the localized surface plasmon resonance (LSPR) of gold nanodisk arrays to a phase-changing material (PCM), vanadium dioxide (VO2). By latching the VO2 in a distinct correlated metallic state during the insulator-to-metal transition (IMT), while concurrently exciting the hybrid nanostructure with one or more ultraviolet optical pulses, the entire phase space of this correlated state can be accessed optically to modulate the plasmon response. We find that the LSPR modulation depends strongly but linearly on the initial latched state, suggesting that the memory effect encoded in the plasmon resonance wavelength is linked to the strongly correlated electron states of the VO2. The continuous, linear variation of the electronic and optical properties of these model heterostructures opens the way to multiple design strategies for hybrid devices with novel optoelectronic functionalities, which can be controlled by an applied electric or optical field, strain, injected charge, or temperature.
C1 [Lei, Dang Yuan; Ligmajer, Filip] Hong Kong Polytech Univ, Dept Appl Phys, Hong Kong, Hong Kong, Peoples R China.
[Appavoo, Kannatassen; Haglund, Richard F., Jr.] Vanderbilt Univ, Interdisciplinary Mat Sci Program, Nashville, TN 37235 USA.
[Appavoo, Kannatassen] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Ligmajer, Filip] Brno Univ Technol, Cent European Inst Technol, Brno 61669, Czech Republic.
[Sonnefraud, Yannick] CNRS, Inst Neel, UPR2940, F-38042 Grenoble 9, France.
[Haglund, Richard F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Maier, Stefan A.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England.
RP Lei, DY (reprint author), Hong Kong Polytech Univ, Dept Appl Phys, Hong Kong, Hong Kong, Peoples R China.
EM dylei@polyu.edu.hk
RI Lei, Dangyuan/B-9812-2011; Ligmajer, Filip/J-3881-2014
OI Lei, Dangyuan/0000-0002-8963-0193; Ligmajer, Filip/0000-0003-0346-4110
FU Hong Kong Polytechnic University (1-ZVCG); United Kingdom Engineering
and Physical Sciences Research Council; Leverhulme Trust Foundation;
National Science Foundation [ECE-0801980, ARI-R2 DMR-0963361]; European
Regional Development Fund (CEITEC) [CZ.1.05/1.1.00/02.0068]
FX D.Y.L. acknowledges support from the Hong Kong Polytechnic University
(1-ZVCG). Y.S. and S.A.M. acknowledge support from the United Kingdom
Engineering and Physical Sciences Research Council and the Leverhulme
Trust Foundation. K.A. and R.F.H. acknowledge support from the National
Science Foundation (ECE-0801980); sample nanofabrication and
characterization at Vanderbilt University used facilities renovated and
upgraded with support from the National Science Foundation (ARI-R2
DMR-0963361). F.L. acknowledges support from the European Regional
Development Fund (CEITEC, CZ.1.05/1.1.00/02.0068).
NR 56
TC 14
Z9 15
U1 18
U2 81
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD SEP
PY 2015
VL 2
IS 9
BP 1306
EP 1313
DI 10.1021/acsphotonics.5b00249
PG 8
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA CR7CH
UT WOS:000361505000013
ER
PT J
AU Akbarzadeh, A
Crosse, JA
Danesh, M
Qiu, CW
Danner, AJ
Soukoulis, CM
AF Akbarzadeh, Alireza
Crosse, J. A.
Danesh, Mohammad
Qiu, Cheng-Wei
Danner, Aaron J.
Soukoulis, Costas M.
TI Interplay of Optical Force and Ray-Optic Behavior between Luneburg
Lenses
SO ACS PHOTONICS
LA English
DT Article
DE optical force; geometrical optics; optical manipulation; graded-index
media; metamaterials
ID RADIATION PRESSURE; MOMENTUM; LIGHT; PARTICLES; BEAM; WAVE
AB The method of force tracing is employed to examine the optomechanical interaction between two and four Luneburg lenses. Using a simplified analytical model, as well as a realistic numerical model, the dynamics of elastic and fully inelastic collisions between the lenses under the illumination of collimated beams are studied. It is shown that elastic collisions cause a pair of Luneburg lenses to exhibit oscillatory and translational motion simultaneously. The combination of these two forms of motion can be used to optomechanically manipulate small particles. Additionally, it is addressed how fully inelastic collisions of four Luneburg lenses can help us achieve full transparency as well as isolating space to trap particles.
C1 [Akbarzadeh, Alireza; Soukoulis, Costas M.] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece.
[Crosse, J. A.; Danesh, Mohammad; Qiu, Cheng-Wei; Danner, Aaron J.] Natl Univ Singapore, Dept Elect & Comp Engn, Singapore 117576, Singapore.
[Danesh, Mohammad] Inst High Performance Comp, Elect & Photon Dept, Singapore 138632, Singapore.
[Soukoulis, Costas M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Soukoulis, Costas M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
RP Akbarzadeh, A (reprint author), Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece.
EM alireza.akbarzadeh@iesl.forth.gr
RI Soukoulis, Costas/A-5295-2008
FU European Research Council under the ERC [320081]; U.S. Department of
Energy (Basic Energy Science, Division of Materials Science and
Engineering) [DE-AC02-07CH11358]
FX A.A. and C.-W.Q gratefully appreciate the initial fruitful discussions
with Professor Juan Jose Saenz. Work at FORTH was supported by the
European Research Council under the ERC Advanced Grant No. 320081
(PHOTOMETA). Work at Ames Laboratory was partially supported by the U.S.
Department of Energy (Basic Energy Science, Division of Materials
Science and Engineering) under Contract No. DE-AC02-07CH11358.
NR 30
TC 2
Z9 2
U1 0
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD SEP
PY 2015
VL 2
IS 9
BP 1384
EP 1390
DI 10.1021/acsphotonics.5b00352
PG 7
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA CR7CH
UT WOS:000361505000023
ER
PT J
AU Foo, GS
Van Pelt, AH
Krotschel, D
Sauk, BF
Rogers, AK
Jolly, CR
Yung, MM
Sievers, C
AF Foo, Guo Shiou
Van Pelt, Adam H.
Kroetschel, Daniel
Sauk, Benjamin F.
Rogers, Allyson K.
Jolly, Cayla R.
Yung, Matthew M.
Sievers, Carsten
TI Hydrolysis of Cellobiose over Selective and Stable Sulfonated Activated
Carbon Catalysts
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Glucose; Solid acid; Defect sites; Degradation; Fixed bed reactor
ID X-RAY-DIFFRACTION; AMORPHOUS-CARBON; CELLULOSE HYDROLYSIS; BEARING SO3H;
FUNCTIONAL-GROUPS; ACID-HYDROLYSIS; DEFECT SITES; OH GROUPS; ADSORPTION;
SURFACE
AB Activated carbon is functionalized by different treatments with sulfuric acid and hot liquid water and used as catalyst for the hydrolysis of cellobiose in a continuously operated fixed bed reactor. Characterization results reveal that the chemically treated materials are more disordered with a lower degree of graphitization, while adsorption isotherms demonstrate that van der Waals forces dominate the interaction between carbohydrates and the surface of catalysts. All catalysts are stable during the hydrolysis of cellobiose under flow conditions. Carbon catalysts with a limited fraction of sulfonic acid groups exhibit moderate cellobiose conversion but a higher and sustained glucose selectivity. The high selectivity is attributed to a higher fraction of weak acid sites, where degradation of glucose only occurs to a limited extent due to less accessibility and competitive adsorption with cellobiose. Furthermore, the strong sulfonic acid groups are more accessible for degradation reactions to occur. In contrast, the catalyst with a higher fraction of sulfonic acid groups shows increased cellobiose conversion but decreased glucose selectivity because glucose monomers can be converted to degradation products at these sites.
C1 [Foo, Guo Shiou; Van Pelt, Adam H.; Kroetschel, Daniel; Sauk, Benjamin F.; Rogers, Allyson K.; Jolly, Cayla R.; Sievers, Carsten] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Rogers, Allyson K.; Yung, Matthew M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Sievers, C (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA.
EM carsten.sievers@chbe.gatech.edu
OI Foo, Guo Shiou/0000-0003-0807-5878
FU Renmatix, Inc.; U.S. Department of Energy [DE-AC36-08-G028308]
FX The Renewable Bioproducts Institute is acknowledged for the use of its
facilities. We thank Johannes Leisen for experimental assistance with
13C DP MAS NMR. Funding from Renmatix, Inc. and the U.S.
Department of Energy (grant DE-AC36-08-G028308) is gratefully
acknowledged.
NR 61
TC 5
Z9 5
U1 3
U2 29
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD SEP
PY 2015
VL 3
IS 9
BP 1934
EP 1942
DI 10.1021/acssuschemeng.5b00530
PG 9
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA CR1MY
UT WOS:000361090200007
ER
PT J
AU Cole, JM
Cramer, AJ
Zeidler, A
AF Cole, Jacqueline M.
Cramer, Alisha J.
Zeidler, Anita
TI Topological Analysis of Void Spaces in Tungstate Frameworks: Assessing
Storage Properties for the Environmentally Important Guest Molecules and
Ions: CO2, UO2, PuO2, U, Pu, Sr2+, Cs+, CH4, and H-2
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Host-guest; Tungstate; Framework structure; Energy fuel storage; CO2
emissions; Nuclear waste storage
ID METAL-ORGANIC FRAMEWORKS; NEUTRON POWDER DIFFRACTION; WASTE FORM
CERAMICS; COPPER-LANTHANOID-OXOTUNGSTATES; NEGATIVE THERMAL-EXPANSION;
LEACH RESISTANT CERAMICS; X-RAY-DIFFRACTION; CRYSTAL-STRUCTURE; DOUBLE
PEROVSKITES; CARBON-DIOXIDE
AB The identification of inorganic materials, which are able to encapsulate environmentally important small molecules or ions via host guest interactions, is crucial for the design and development of next-generation energy sources and for storing environmental waste. Especially sought after are molecular sponges with the ability to incorporate CO2, gas pollutants, or nuclear waste materials such as UO2 and PuO2 oxides or U, Pu, Sr2+, or Cs+ ions. Porous framework structures promise very attractive prospects for applications in environmental technologies, if they are able to incorporate CH4 for biogas energy applications or to store H-2, which is important for fuel cells, e.g., in the automotive industry. All of these applications should benefit from the host being resistant to extreme conditions such as heat, nuclear radiation, rapid gas expansion, or wear and tear from heavy gas cycling. As inorganic tungstates are well known for their thermal stability and their rigid open-framework networks, the potential of Na2O-Al2O3-WO3 and Na2O-WO3 phases for such applications was evaluated. To this end, all known experimentally determined crystal structures with the stoichiometric formula MaMb'WcOd (M = any element) are surveyed together with all corresponding theoretically calculated NaaAlbWcOd and NaxWyOz structures that are statistically likely to form. Network descriptors that categorize these host structures are used to reveal topological patterns in the hosts, including the nature of porous cages, which are able to accommodate a certain type of guest; this leads to the classification of preferential structure types for a given environmental storage application. Crystal structures of two new tungstates NaAlW2O8 (I) and NaAlW3O11 (2) and one updated structure determination of Na2W2O2 (3) are also presented from in-house X-ray diffraction studies, and their potential merits for environmental applications are assessed against those of this larger data-sourced survey. Overall, results show that tungstate structures with three-nodal topologies are most frequently able to accommodate CH4 or H-2, while CO2 appears to be captured by a wide range of nodal structure types. The computationally generated host structures appear systematically smaller than the experimentally determined structures. For the structures of 1 and 2, potential applications in nuclear waste storage seem feasible.
C1 [Cole, Jacqueline M.; Cramer, Alisha J.] Univ Cambridge, Cavendish Lab, Dept Phys, Cambridge CB3 0HE, England.
[Cole, Jacqueline M.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Cole, Jacqueline M.; Zeidler, Anita] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England.
RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, Dept Phys, JJ Thomson Ave, Cambridge CB3 0HE, England.
EM jmc61@cam.ac.uk
RI Cole, Jacqueline/C-5991-2008
FU Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX Velin Nikolov from the Bulgarian Academy of Sciences is gratefully
acknowledged for supplying the samples of tungstate materials (1) (3).
John J. Rickard from the Cavendish Laboratory, University of Cambridge,
is thanked for his technical assistance with the EDX experiment. J.M.C.
is indebted to the Fulbright Commission for a UK-US Fulbright Scholar
Award hosted by Argonne National Laboratory where work done was
supported by the Department of Energy, Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.
NR 190
TC 1
Z9 1
U1 4
U2 16
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD SEP
PY 2015
VL 3
IS 9
BP 2112
EP 2129
DI 10.1021/acssuschemeng.5b00369
PG 18
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA CR1MY
UT WOS:000361090200027
ER
PT J
AU Sun, QN
Pu, YQ
Meng, XZ
Wells, T
Ragauskas, AJ
AF Sun, Qining
Pu, Yunqiao
Meng, Xianzhi
Wells, Tyrone
Ragauskas, Art J.
TI Structural Transformation of Isolated Poplar and Switchgrass Lignins
during Dilute Acid Treatment
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Poplar; Switchgrass; Dilute acid pretreatment; Cellulolytic enzyme
lignin; Reaction mechanism
ID HYDROTHERMAL PRETREATMENT; BIOMASS RECALCITRANCE; ENZYMATIC-HYDROLYSIS;
WOOD; FEEDSTOCK; CELLULOSE; BIOFUELS; FATE; NMR
AB A key step in conversion of cellulosic biomass into sustainable fuels and chemicals is thermochemical pretreatment to reduce plant cell wall recalcitrance. Obtaining an improved understanding of the fundamental chemistry of lignin, the most recalcitrant component of biomass, during pretreatment is critical to the continued development of renewable biofuel production. To examine the intrinsic chemistry of lignin during dilute acid pretreatment (DAP), lignin was isolated from poplar and switchgrass using a cellulolytic enzyme system and then treated under DAP conditions. Our results highlight that lignin is subjected to depolymerization reactions within the first 2 min of dilute acid pretreatment and these changes are accompanied by increased generation of aliphatic and phenolic hydroxyl groups of lignin. This is followed by a competing set of depolymerization and repolymerization reactions that lead to a decrease in the content of guaiacyl lignin units and an increase in condensed lignin units as the reaction residence time is extended beyond 5 min. A detailed comparison of changes in functional groups and molecular weights of cellulolytic enzyme lignins demonstrated different structural parameters, related to the recalcitrant properties of lignin, are altered during DAP conditions.
C1 [Sun, Qining; Meng, Xianzhi; Wells, Tyrone] Georgia Inst Technol, Renewable Bioprod Inst, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Pu, Yunqiao; Ragauskas, Art J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Ragauskas, Art J.] Univ Tennessee, Ctr Renewable Carbon, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Ragauskas, Art J.] Univ Tennessee, Ctr Renewable Carbon, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
[Ragauskas, Art J.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
RP Ragauskas, AJ (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
EM aragausk@utk.edu
RI Sun, Qining/B-7592-2016; Pu, Yunqiao/H-3206-2016
OI Sun, Qining/0000-0002-9678-7834; Pu, Yunqiao/0000-0003-2554-1447
FU BioEnergy Science Center (BESC); Paper Science & Engineering (PSE)
fellowship program at Renewable Bioproducts Institute (BRI) at Georgia
Institute of Technology; Office of Biological and Environmental Research
in the DOE Office of Science
FX This work was partially supported and performed as part of the BioEnergy
Science Center (BESC). Q S. is grateful for the financial support from
the Paper Science & Engineering (PSE) fellowship program at Renewable
Bioproducts Institute (BRI) at Georgia Institute of Technology. The
BioEnergy Science Center is a U.S. Department of Energy Bioenergy
Research Center supported by the Office of Biological and Environmental
Research in the DOE Office of Science.
NR 29
TC 4
Z9 4
U1 5
U2 22
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD SEP
PY 2015
VL 3
IS 9
BP 2203
EP 2210
DI 10.1021/acssuschemeng.5b00426
PG 8
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA CR1MY
UT WOS:000361090200036
ER
PT J
AU Luchmann, KH
Clark, MS
Bainy, ACD
Gilbert, JA
Craft, JA
Chipman, JK
Thorne, MAS
Mattos, JJ
Siebert, MN
Schroeder, DC
AF Luechmann, Karim H.
Clark, Melody S.
Bainy, Afonso C. D.
Gilbert, Jack A.
Craft, John A.
Chipman, J. Kevin
Thorne, Michael A. S.
Mattos, Jaco J.
Siebert, Marilia N.
Schroeder, Declan C.
TI Key metabolic pathways involved in xenobiotic biotransformation and
stress responses revealed by transcriptomics of the mangrove oyster
Crassostrea brasiliana
SO AQUATIC TOXICOLOGY
LA English
DT Article
DE Xenobiotic metabolism; Antioxidant parameters; Pollutants;
Bioaccumulation; Bivalve; Polycyclic aromatic hydrocarbon
ID SCALLOP CHLAMYS-FARRERI; MUSSEL MYTILUS-EDULIS; HEAT-SHOCK PROTEINS;
SHORT-TERM EXPOSURE; OXIDATIVE STRESS; GLUTATHIONE TRANSFERASES;
MOLECULAR CHAPERONES; EASTERN OYSTER; PACIFIC OYSTER; CYP GENES
AB The Brazilian oyster Crassostrea brasiliana was challenged to three common environmental contaminants: phenanthrene, diesel fuel water-accommodated fraction (WAF) and domestic sewage. Total RNA was extracted from the gill and digestive gland, and cDNA libraries were sequenced using the 454 FLX platform. The assembled transcriptome resulted in (similar to)20,000 contigs, which were annotated to produce the first de novo transcriptome for C brasiliana. Sequences were screened to identify genes potentially involved in the biotransformation of xenobiotics and associated antioxidant defence mechanisms. These gene families included those of the cytochrome P450 (CYP450), 70kDa heat shock, antioxidants, such as glutathione S-transferase, superoxide dismutase, catalase and also multi-drug resistance proteins. Analysis showed that the massive expansion of the CYP450 and HSP70 family due to gene duplication identified in the Crassostrea gigas genome also occurred in C brasiliana, suggesting these processes form the base of the Crasostrea lineage. Preliminary expression analyses revealed several candidates biomarker genes that were up-regulated during each of the three treatments, suggesting the potential for environmental monitoring. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Luechmann, Karim H.] Santa Catarina State Univ, Fishery Engn Dept, Laguna, Brazil.
[Clark, Melody S.; Thorne, Michael A. S.] British Antarctic Survey, NERC, Cambridge CB3 0ET, England.
[Bainy, Afonso C. D.; Mattos, Jaco J.; Siebert, Marilia N.] Univ Fed Santa Catarina, Dept Biochem, Florianopolis, SC, Brazil.
[Gilbert, Jack A.] Argonne Natl Lab, Biosci Div BIO, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Marine Biol Lab, Woods Hole, MA 02543 USA.
[Gilbert, Jack A.] Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310003, Zhejiang, Peoples R China.
[Craft, John A.] Glasgow Caledonian Univ, Biol & Biomed Sci, Glasgow G4 0BA, Lanark, Scotland.
[Chipman, J. Kevin] Univ Birmingham, Sch Biol Sci, Birmingham B15 2TT, W Midlands, England.
[Schroeder, Declan C.] Marine Biol Assoc United Kingdom MBA, Plymouth, Devon, England.
RP Luchmann, KH (reprint author), Santa Catarina State Univ, Fishery Engn Dept, Laguna, Brazil.
EM khluchmann@gmail.com; mscl@bas.ac.uk; afonso.bainy@ufsc.br;
gilbertjack@anl.gov; J.A.Craft@gcu.ac.uk; j.k.chipman@bham.ac.uk;
mior@bas.ac.uk; jaco.mattos@ufsc.br; marilia.siebert@ifsc.edu.br;
dsch@mba.ac.uk
OI Thorne, Michael/0000-0001-7759-612X
FU NERC, UK; CNPq [CT-Petro 550706/2005-4]; CAPES Ph.D. Fellowship, Brazil;
CNPq Ph.D. Sandwich Fellowship, Brazil; CNPq Productivity Fellowship,
Brazil; NERC; CNPq (CNPq INCT-TA)
FX This research was supported by grants from NERC, UK to JAG and CNPq to
ACDB (CT-Petro 550706/2005-4 and CNPq INCT-TA). KHL was a Guest Student
at the Marine Biological Association of the United Kingdom and Glasgow
Caledonian University and was supported by a CAPES Ph.D. Fellowship and
CNPq Ph.D. Sandwich Fellowship, Brazil. ACDB was recipient of the CNPq
Productivity Fellowship, Brazil. MSC and MAST were funded by NERC core
funding to the British Antarctic Survey. We would like to thank Dr.
Fabricio Flores-Nunes, Dr. Tarquin S. Dorrington and M.Sc. Christielly
Rodrigues and for the assistance during experiments and Mr Jamie Oliver
(British Antarctic Survey) for his help with Figure 2. We are grateful
to Dr. Claudio M.R. Melo and to M.Sc. Carlos H.A.M. Gomes for supplying
the oysters used in this study.
NR 92
TC 5
Z9 5
U1 4
U2 25
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0166-445X
EI 1879-1514
J9 AQUAT TOXICOL
JI Aquat. Toxicol.
PD SEP
PY 2015
VL 166
BP 10
EP 20
DI 10.1016/j.aquatox.2015.06.012
PG 11
WC Marine & Freshwater Biology; Toxicology
SC Marine & Freshwater Biology; Toxicology
GA CR3TS
UT WOS:000361256600002
PM 26186662
ER
PT J
AU Gardner, SN
Slezak, T
Hall, BG
AF Gardner, Shea N.
Slezak, Tom
Hall, Barry G.
TI kSNP3.0: SNP detection and phylogenetic analysis of genomes without
genome alignment or reference genome
SO BIOINFORMATICS
LA English
DT Article
ID STRAINS
AB We announce the release of kSNP3.0, a program for SNP identification and phylogenetic analysis without genome alignment or the requirement for reference genomes. kSNP3.0 is a significantly improved version of kSNP v2.
C1 [Gardner, Shea N.; Slezak, Tom] Lawrence Livermore Natl Lab, Computat Global Secur, Livermore, CA 94550 USA.
[Hall, Barry G.] Bellingham Res Inst, Bellingham, WA 98229 USA.
RP Hall, BG (reprint author), Bellingham Res Inst, Bellingham, WA 98229 USA.
EM barryghall@gmail.com
FU LLNL
FX kSNP3.0 was developed under internal funding at LLNL.
NR 8
TC 20
Z9 20
U1 0
U2 6
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 1367-4803
EI 1460-2059
J9 BIOINFORMATICS
JI Bioinformatics
PD SEP 1
PY 2015
VL 31
IS 17
BP 2877
EP 2878
DI 10.1093/bioinformatics/btv271
PG 2
WC Biochemical Research Methods; Biotechnology & Applied Microbiology;
Computer Science, Interdisciplinary Applications; Mathematical &
Computational Biology; Statistics & Probability
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Computer Science; Mathematical & Computational Biology; Mathematics
GA CR5PN
UT WOS:000361395700018
PM 25913206
ER
PT J
AU Kulasinski, K
Guyer, R
Derome, D
Carmeliet, J
AF Kulasinski, Karol
Guyer, Robert
Derome, Dominique
Carmeliet, Jan
TI Water Adsorption in Wood Microfibril-Hemicellulose System: Role of the
Crystalline-Amorphous Interface
SO BIOMACROMOLECULES
LA English
DT Article
ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; ATOMIC-FORCE
MICROSCOPY; SYNCHROTRON X-RAY; CELL-WALL; ELASTIC-MODULUS;
MECHANICAL-PROPERTIES; YOUNGS MODULUS; MICROCRYSTALLINE CELLULOSE;
MOLECULAR-DYNAMICS
AB A two-phase model of a wood microfibril consisting of crystalline cellulose and amorphous hemicellulose is investigated with molecular dynamics in full range of sorption to understand the molecular origin of swelling and weakening of wood. Water is adsorbed in hemicellulose, and an excess of sorption is found at the interface, while no sorption occurs within cellulose. Water molecules adsorbed on the interface push away polymer chains, forcing the two phases to separate and causing breaking of h-bonds, particularly pronounced on the interface. Existence of two different regions in moisture response is demonstrated. At low moisture content, water is uniformly adsorbed within hemicellulose, breaking a small amount of hydrogen bonds. Microfibril does not swell, and the porosity does not change. As moisture content increases, water is adsorbed preferentially at the interface, which leads to additional swelling and porosity increase at the interface. Young's and shear moduli decrease importantly due to breaking of h-bonds and screening of the long-range interactions.
C1 [Kulasinski, Karol; Carmeliet, Jan] Swiss Fed Univ Technol Zurich, Chair Bldg Phys, CH-8093 Zurich, Switzerland.
[Kulasinski, Karol; Derome, Dominique; Carmeliet, Jan] Empa, Swiss Fed Labs Mat Sci & Technol, Lab Multiscale Studies Bldg Phys, CH-8600 Dubendorf, Switzerland.
[Guyer, Robert] Los Alamos Natl Lab, Solid Earth Geophys Grp, Los Alamos, NM 87545 USA.
[Guyer, Robert] Univ Nevada, Dept Phys, Reno, NV 89557 USA.
RP Carmeliet, J (reprint author), Swiss Fed Univ Technol Zurich, Chair Bldg Phys, Stefano Franscini Pl 5, CH-8093 Zurich, Switzerland.
EM jan.carmeliet@empa.ch
RI Kulasinski, Karol/R-6709-2016
OI Kulasinski, Karol/0000-0002-7704-7048
NR 67
TC 8
Z9 8
U1 4
U2 37
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1525-7797
EI 1526-4602
J9 BIOMACROMOLECULES
JI Biomacromolecules
PD SEP
PY 2015
VL 16
IS 9
BP 2972
EP 2978
DI 10.1021/acs.biomac.5b00878
PG 7
WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science
SC Biochemistry & Molecular Biology; Chemistry; Polymer Science
GA CR4WV
UT WOS:000361341700044
PM 26313656
ER
PT J
AU Rosu, C
Russo, PS
Daly, WH
Cueto, R
Pople, JA
Laine, RA
Negulescu, II
AF Rosu, Cornelia
Russo, Paul S.
Daly, William H.
Cueto, Rafael
Pople, John A.
Laine, Roger A.
Negulescu, Ioan I.
TI Sugar-Based Polyamides: Self-Organization in Strong Polar Organic
Solvents
SO BIOMACROMOLECULES
LA English
DT Article
ID METHYLMORPHOLINE-N-OXIDE; LIQUID-CRYSTAL; ISOTACTIC POLYPROPYLENE;
FRONTAL POLYMERIZATION; SPHERULITE MORPHOLOGY; HYDRATE SOLUTIONS;
EXCITABLE MEDIA; PHASE-BEHAVIOR; SPIRAL WAVES; CELLULOSE
AB Periodic patterns resembling spirals were observed to form spontaneously upon unassisted cooling of D-glucaric acid- and D-galactaric acid based polyamide solutions in N-methyl-N-morpholine oxide (NMMO) monohydrate. Similar observations were made in D-galactaric acid-based polyamide/ionic liquid (IL) solutions. The morphologies were investigated by optical, polarized light and confocal microscopy assays to reveal pattern details. Differential scanning calorimetry was used to monitor solution thermal behavior. Small-and wide-angle X-ray scattering data reflected the complex and heterogeneous nature of the self-organized patterns. Factors such as concentration and temperature were found to influence spiral dimensions and geometry. The distance between rings followed a first-order exponential decay as a function of polymer concentration. Fourier-Transform Infrared Microspectroscopy analysis of spirals pointed to H-bonding between the solvent and the pendant hydroxyl groups of the glucose units from the polymer backbone. Tests on self-organization into spirals of ketal-protected D-galactaric acid polyamides in NMMO monohydrate confirmed the importance of the monosaccharide's pendant free hydroxyl groups on the formation of these patterns. Rheology performed on D-galactaric-based polyamides at high concentration in NMMO monohydrate solution revealed the optimum conditions necessary to process these materials as fibers by spinning. The self-organization of these sugar-based polyamides mimics certain biological materials.
C1 [Rosu, Cornelia; Russo, Paul S.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA.
[Russo, Paul S.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Rosu, Cornelia; Russo, Paul S.] Georgia Inst Technol, Georgia Tech Polymer Network, Atlanta, GA 30332 USA.
[Rosu, Cornelia; Russo, Paul S.; Daly, William H.; Cueto, Rafael; Negulescu, Ioan I.] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA.
[Rosu, Cornelia; Russo, Paul S.; Daly, William H.; Cueto, Rafael; Negulescu, Ioan I.] Louisiana State Univ, Macromol Studies Grp, Baton Rouge, LA 70803 USA.
[Laine, Roger A.] Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA.
[Negulescu, Ioan I.] Louisiana State Univ, Dept Text Apparel Design & Merchandising, Baton Rouge, LA 70803 USA.
[Negulescu, Ioan I.] Louisiana State Univ, Ctr Agr, Baton Rouge, LA 70803 USA.
[Pople, John A.] Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA.
RP Rosu, C (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA.
EM cornelia.rosu@mse.gatech.edu; inegule@lsu.edu
RI Russo, Paul/G-6473-2012
FU USDA multistate Hatch Program [S-1041 LSU]; National Science Foundation
[1306262]
FX This work was supported partially by (U.N.) the USDA multistate Hatch
Program S-1041 LSU (Ag. Center; P.S.R.), National Science Foundation
Awards under Grant 1306262 (DMR) and through the generosity of the
Hightower Family (C.R.). The authors are grateful to Cindy Henk and Dr.
Mathew Brown (Socolofski Microscopy Center, Louisiana State University)
for technical support in microscopic measurements, Mihaela Cucu-Wheeler
(now working at Johnson & Johnson, Rochester, NY) for recording 2 and 5%
glu-6-NMMO monohydrate solution optical images seen in the main text.
The help of Andrew Weber (CAMD, Louisiana State University) with WAXS
measurements and Dr. Orhan Kizilkaya with IR investigations is also
acknowledged. C.R. is deeply thankful to Professors Seth Fraden (Martin
A. Fisher School of Physics, Brandeis University, Waltham, MA), John
Pojman and Evg-ueni Nesterov (Chemistry Department, Louisiana State
University, Baton Rouge, LA), Elsa Reichmanis (School of Chemical and
Biomolecular Engineering, School of Chemistry and Biochemistry, School
of Materials Science and Engineering, Georgia Institute of Technology,
Atlanta, Georgia), and Professor Dilip Kondepudi (Chemistry Department,
Wake-Forest University, Winston-Salem, NC), as well as to Professor
David Bucknall (School of Materials Science and Engineering, Georgia
Institute of Technology, Atlanta, GA) for helpful suggestions.
NR 76
TC 0
Z9 0
U1 7
U2 35
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1525-7797
EI 1526-4602
J9 BIOMACROMOLECULES
JI Biomacromolecules
PD SEP
PY 2015
VL 16
IS 9
BP 3062
EP 3072
DI 10.1021/acs.biomac.5b00977
PG 11
WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science
SC Biochemistry & Molecular Biology; Chemistry; Polymer Science
GA CR4WV
UT WOS:000361341700053
PM 26270020
ER
PT J
AU Lee, SH
Hong, TZ
Piette, MA
Taylor-Lange, SC
AF Lee, Sang Hoon
Hong, Tianzhen
Piette, Mary Ann
Taylor-Lange, Sarah C.
TI Energy retrofit analysis toolkits for commercial buildings: A review
SO ENERGY
LA English
DT Review
DE Building energy retrofit; Web-based applications; Energy conservation
measures; Energy simulation; Energy efficiency; Retrofit analysis tools
ID PERFORMANCE; CONSUMPTION; PREDICTION; SIMULATION; MODELS
AB Retrofit analysis toolkits can be used to optimize energy or cost savings from retrofit strategies, accelerating the adoption of ECMs (energy conservation measures) in buildings. This paper provides an up-to-date review of the features and capabilities of 18 energy retrofit toolkits, including ECMs and the calculation engines. The fidelity of the calculation techniques, a driving component of retrofit toolkits, were evaluated. An evaluation of the issues that hinder effective retrofit analysis in terms of accessibility, usability, data requirement, and the application of efficiency measures, provides valuable insights into advancing the field forward. Following this review the general concepts were determined: (1) toolkits developed primarily in the private sector use empirically data-driven methods or benchmarking to provide ease of use, (2) almost all of the toolkits which used EnergyPlus or DOE-2 were freely accessible, but suffered from complexity, longer data input and simulation run time, (3) in general, there appeared to be a fine line between having too much detail resulting in a long analysis time or too little detail which sacrificed modeling fidelity. These insights provide an opportunity to enhance the design and development of existing and new retrofit toolkits in the future. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Lee, Sang Hoon; Hong, Tianzhen; Piette, Mary Ann; Taylor-Lange, Sarah C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Div, Berkeley, CA 94720 USA.
RP Hong, TZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol & Urban Syst Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM thong@lbl.gov
OI Hong, Tianzhen/0000-0003-1886-9137
FU California Energy Commission, under the Public Interest Energy Research
Program [PIR-12-031]; U.S. Department of Energy [DE-AC02-05CH11231]
FX This review is part of a project, funded by the California Energy
Commission, under the Public Interest Energy Research Program Award No.
PIR-12-031. This work was also supported by the Assistant Secretary for
Energy Efficiency and Renewable Energy, the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231. The tools reviewed were
recommended by the stakeholders as part of this project and the intent
is not to advertise or criticize the toolkits, rather to provide
information. The toolkits may have been altered or updated following the
date of the manuscript submission. The authors would like to thank
Vojislav Novakovic and Jens Toennesen for their input.
NR 60
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U1 0
U2 15
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0360-5442
EI 1873-6785
J9 ENERGY
JI Energy
PD SEP
PY 2015
VL 89
BP 1087
EP 1100
DI 10.1016/j.energy.2015.06.112
PG 14
WC Thermodynamics; Energy & Fuels
SC Thermodynamics; Energy & Fuels
GA CR3SD
UT WOS:000361252500098
ER
PT J
AU Baylor, LR
Barbier, CC
Carmichael, JR
Combs, SK
Ericson, MN
Ezell, NDB
Fisher, PW
Lyttle, MS
Meitner, SJ
Rasmussen, DA
Smith, SF
Wilgen, JB
Maruyama, S
Kiss, G
AF Baylor, L. R.
Barbier, C. C.
Carmichael, J. R.
Combs, S. K.
Ericson, M. N.
Ezell, N. D. Bull
Fisher, P. W.
Lyttle, M. S.
Meitner, S. J.
Rasmussen, D. A.
Smith, S. F.
Wilgen, J. B.
Maruyama, S.
Kiss, G.
TI DISRUPTION MITIGATION SYSTEM DEVELOPMENTS AND DESIGN FOR ITER
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB A disruption mitigation system (DMS) is under design for ITER to inject sufficient material deeply into the plasma for rapid plasma thermal shutdown and collisional suppression of any resulting runaway electrons. Progress on the development and design of both a shattered pellet injector (SPI) that produces large solid cryogenic pellets to provide reliable deep penetration of material and a fast opening high flow rate gas valve for massive gas injection (MGI) is presented. Cryogenic pellets of deuterium and neon up to 25 mm in size have been formed and accelerated with a prototype injector and a full scale prototype MGI valve is now in testing. Implications of the design with respect to response time and reliability at the proposed injector locations on ITER are discussed.
C1 [Baylor, L. R.; Barbier, C. C.; Carmichael, J. R.; Combs, S. K.; Ericson, M. N.; Ezell, N. D. Bull; Fisher, P. W.; Lyttle, M. S.; Meitner, S. J.; Rasmussen, D. A.; Smith, S. F.; Wilgen, J. B.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Maruyama, S.; Kiss, G.] ITER Org, F-13115 St Paul Les Durance, France.
RP Baylor, LR (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM baylorlr@ornl.gov
RI Ezell, Nora/C-3942-2016; Ericson, Milton/H-9880-2016
OI Ezell, Nora/0000-0001-9334-5822; Ericson, Milton/0000-0002-6628-4865
FU Oak Ridge National Laboratory [DE-AC05-00OR22725]
FX This work was supported by the Oak Ridge National Laboratory managed by
UT-Battelle, LLC for the US Department of Energy under
DE-AC05-00OR22725. The views and opinions expressed herein do not
necessarily reflect those of the ITER Organization.
NR 10
TC 4
Z9 4
U1 0
U2 4
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 211
EP 215
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800003
ER
PT J
AU Kessel, CE
Blanchard, JP
Davis, A
El-Guebaly, L
Ghoniem, N
Humrickhouse, PW
Malang, S
Merrill, BJ
Morley, NB
Neilson, GH
Rensink, ME
Rognlien, TD
Rowcliffe, AF
Smolentsev, S
Snead, LL
Tillack, MS
Titus, P
Waganer, LM
Ying, A
Young, K
Zhai, Y
AF Kessel, C. E.
Blanchard, J. P.
Davis, A.
El-Guebaly, L.
Ghoniem, N.
Humrickhouse, P. W.
Malang, S.
Merrill, B. J.
Morley, N. B.
Neilson, G. H.
Rensink, M. E.
Rognlien, T. D.
Rowcliffe, A. F.
Smolentsev, S.
Snead, L. L.
Tillack, M. S.
Titus, P.
Waganer, L. M.
Ying, A.
Young, K.
Zhai, Y.
TI THE FUSION NUCLEAR SCIENCE FACILITY, THE CRITICAL STEP IN THE PATHWAY TO
FUSION ENERGY
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
ID RESEARCH-AND-DEVELOPMENT; TOKAMAK POWER-PLANT; GREENWALD DENSITY;
HIGH-PERFORMANCE; PROGRESS; DESIGN; INTEGRATION; DISCHARGES; SYSTEMS;
BLANKET
AB The proposed Fusion Nuclear Science Facility (FNSF) represents the first facility to enter the complex fusion nuclear regime, and its technical mission and attributes are being developed. The FNSF represents one part of the fusion energy development pathway to the first commercial power plant with other major components being the pre-FNSF research and development, research in parallel with the FNSF, pre-DEMO research and development, and the demonstration power plant (DEMO). The Fusion Energy Systems Studies group is developing the technical basis for the FNSF in order to provide a better understanding of the demands on the fusion plasma and fusion nuclear science programs.
C1 [Kessel, C. E.; Neilson, G. H.; Titus, P.; Zhai, Y.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Blanchard, J. P.; Davis, A.; El-Guebaly, L.] Univ Wisconsin, Madison, WI USA.
[Ghoniem, N.; Morley, N. B.; Smolentsev, S.; Ying, A.] Univ Calif Los Angeles, Los Angeles, CA USA.
[Humrickhouse, P. W.; Merrill, B. J.] Idaho Natl Lab, Idaho Falls, ID USA.
[Rensink, M. E.; Rognlien, T. D.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Snead, L. L.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Tillack, M. S.] Univ Calif San Diego, La Jolla, CA 92093 USA.
RP Kessel, CE (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM ckessel@pppl.gov
FU US DOE [DE-AC02-76CH03073, DE-AC52-07NA27344, DE-FC02-04ER54698]
FX Work partially supported under US DOE contracts DE-AC02-76CH03073,
DE-AC52-07NA27344, and DE-FC02-04ER54698.
NR 40
TC 5
Z9 5
U1 3
U2 16
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 225
EP 236
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800005
ER
PT J
AU Smolentsev, S
Abdou, M
Morley, NB
Malang, S
Kessel, C
AF Smolentsev, S.
Abdou, M.
Morley, N. B.
Malang, S.
Kessel, C.
TI R&D NEEDS AND APPROACH TO MEASURE PROGRESS FOR LIQUID METAL BLANKETS AND
SYSTEMS ON THE PATHWAY FROM PRESENT EXPERIMENTAL FACILITIES TO FNSF
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
ID FLOW CHANNEL INSERT; US DCLL BLANKET; TRITIUM TRANSPORT; NEUTRON SOURCE;
ITER-TBM; MHD; PBLI; CORROSION; DESIGN
AB The paper describes research needs in primary R&D areas for the family of dual-coolant lead-lithium (DCLL) blankets. Associated key scaling parameters are introduced and evaluated under conditions of FNSF, ITER and DEMO and also for the existing non-fusion MHD facilities, using the MaPLE loop at UCLA as an example. Comparisons among these parameters are recommended for measuring the R&D progress on the pathway from the present experimental facilities to FNSF. Possible experiments both in the existing facilities and FNSF are discussed along with the flow diagnostics.
C1 [Smolentsev, S.; Abdou, M.; Morley, N. B.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA.
[Kessel, C.] Princeton Plasma Phys Lab, Princeton, NJ USA.
RP Smolentsev, S (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA.
EM sergey@fusion.ucla.edu
FU US Department of Energy, Office of Fusion Energy Sciences
[DE-FG02-86ER52123]
FX This work was performed with support from the US Department of Energy,
Office of Fusion Energy Sciences, under Grant No. DE-FG02-86ER52123.
NR 29
TC 1
Z9 1
U1 1
U2 5
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 245
EP 250
PG 6
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800007
ER
PT J
AU El-Guebaly, L
Malang, S
Rowcliffe, A
Waganer, L
AF El-Guebaly, L.
Malang, S.
Rowcliffe, A.
Waganer, L.
TI BLANKET/MATERIALS TESTING STRATEGY FOR FNSF AND ITS BREEDING POTENTIAL
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
ID BLANKET
AB In the US., the Fusion Nuclear Science Facility (FNSF) is viewed as an essential element of the fusion developmental roadmap. The tritium self-sufficiency, blanket testing, and materials testing are of particular interest since they define a critical element of the FNSF mission. There is a definitive need to breed the majority of if not all, the tritium required for operation. A staged blanket testing strategy has been developed to test and enhance the blanket performance during each phase of operation. A materials testing module is critically important to include in FNSF to test large specimens of future generations of materials (for blanket, divertor, magnets, etc.) in relevant fusion environment. In this strategy, the test modules play a pivotal role and serve as "forerunners" for more advanced versions of blanket and materials that will validate their characteristics and features to assure the successful operation of DEMO and advanced power plants.
C1 [El-Guebaly, L.] Univ Wisconsin, Madison, WI 53706 USA.
[Rowcliffe, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP El-Guebaly, L (reprint author), Univ Wisconsin, 1500 Engn Dr, Madison, WI 53706 USA.
EM laila.elguebaly@wisc.edu
FU U.S. Department of Energy [DE-FG02-98ER 54462]
FX This work was performed under the auspices of the U.S. Department of
Energy; contract #DE-FG02-98ER 54462.
NR 14
TC 1
Z9 1
U1 1
U2 5
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 251
EP 258
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800008
ER
PT J
AU Titus, PH
Zhang, H
Lumsdaine, A
McGinnis, WD
Lore, J
Neilson, H
Brown, T
Boscary, J
Peacock, A
Fellinger, J
AF Titus, Peter H.
Zhang, H.
Lumsdaine, A.
McGinnis, W. D.
Lore, J.
Neilson, H.
Brown, T.
Boscary, J.
Peacock, A.
Fellinger, Joris
TI ANALYSIS OF THE WENDELSTEIN 7-X TEST DIVERTOR UNIT SCRAPER ELEMENT WITH
RADIATION SHIELDS
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB Early implementation of divertor components for the Wendelstein 7-X stellarator will include an inertially cooled system of divertor elements called the Test Divertor Unit (TDU). One part of this system is a scraper element that is intended to explore methods of mitigating heat flux on the ends of the TDU elements. This system will be in place in 2017, after a run period that will involve no divertor, and will precede steady state operation with actively cooled divertors scheduled for 2019. The TDU scraper element is an experimental device with uncertain requirements and with loading conditions which will developed as a part of the experiment. The pattern of heat flux may vary from currently predicted distributions and intensities. The design of the scraper element must accommodate this uncertainty. Originally the mechanical design was to be based on extensive studies for the monoblock- based design of an actively cooled system. An obvious simplification is the elimination of the manifolding needed for the water cooling. The wall panels on which the panels are mounted are to be maintained at 200C or less. Thermal ratcheting of the tiles, supporting structures, and backing structures is managed with adequate cooldown times, thermal anchors, where allowed, and radiative shields. Water cooling of the shields was proposed and rejected. Better radiation modeling is showing less need for multiple shields, but during initial run periods, the scraper element will have to be restricted to an acceptable operating envelope. Thermal instrumentation is recommended.
C1 [Titus, Peter H.; Zhang, H.; Neilson, H.; Brown, T.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Lumsdaine, A.; McGinnis, W. D.; Lore, J.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Boscary, J.; Peacock, A.; Fellinger, Joris] Max Planck Inst Plasma Phys, D-85748 Garching, Germany.
RP Titus, PH (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM ptitus@pppl.gov
OI Lore, Jeremy/0000-0002-9192-465X
FU US DOE [DE-AC02-09CH11466]
FX This work is supported by US DOE Contract No. DE-AC02-09CH11466
NR 5
TC 1
Z9 1
U1 0
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 272
EP 276
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800011
ER
PT J
AU Brown, T
Menard, J
El Gueblay, L
Davis, A
AF Brown, T.
Menard, J.
El Gueblay, L.
Davis, A.
TI PPPL ST-FNSF ENGINEERING DESIGN DETAILS
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB One of the goals of the PPPL Spherical Tokamak (ST) Fusion Nuclear Science Facility (FNSF) study was to generate a self-consistent conceptual design of an ST-FNSF device with sufficient physics and engineering details to evaluate the advantages and disadvantages of different designs and to assess various ST-FNSF missions. This included striving to achieve tritium self-sufficiency; the ability to provide shielding protection of vital components and to develop maintenance strategies that could be used to maintain the in-vessel components (divertors, breeding blankets, shield modules and services) and characterize design upgrade potentials to expanded mission evolutions.
With the conceptual design of a 2.2 m ST pilot plant design already completed emphasis was placed on evaluating a range of ST machine sizes looking at a major radius of 1m and a mid-range device size between I m and 2.2 m.
This paper will present an engineering summary of the design details developed from this study, expanding on earlier progress reports presented at earlier conferences that focused on a mid-size 1.7 m device. Further development has been made by physics in defining a Super-X divertor arrangement that provides an expanded divertor surface area and places all PF coils outside the TF coil inner bore, in regions that improve the device maintenance characteristics. Physics, engineering design and neutronics analysis for both the 1.7 m and I m device have been enhanced. The engineering results of the PPPL ST-FNSF study will be presented along with comments on possible future directions.
C1 [Brown, T.; Menard, J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[El Gueblay, L.; Davis, A.] Univ Wisconsin, Madison, WI USA.
RP Brown, T (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM tbrown@pppl.gov
OI Menard, Jonathan/0000-0003-1292-3286
NR 5
TC 1
Z9 1
U1 0
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 277
EP 281
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800012
ER
PT J
AU Humrickhouse, PW
Merrill, BJ
AF Humrickhouse, Paul W.
Merrill, Brad J.
TI VACUUM PERMEATOR ANALYSIS FOR EXTRACTION OF TRITIUM FROM DCLL BLANKETS
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
ID FLUID FRICTION; MASS-TRANSFER; LI17PB83; SOLUBILITY; DIFFUSION; PB-17LI;
ALLOY; FLOW
AB It is envisioned that tritium will be extracted from DCLL blankets using a vacuum permeator. We derive here an analytical solution for the extraction efficiency of a permeator tube, which is a function of only two dimensionless numbers: one that indicates whether radial transport is limited by the PbLi or by the solid membrane, and another that is the ratio of axial and radial transport times in the PbLi. The permeator efficiency is maximized by decreasing the velocity and tube diameter, and increasing the tube length. This is true regardless of the mass transport correlation used; we review several and find that they differ little, and the choice of correlation is not a source of significant uncertainty here. The PbLi solubility, on the other hand, is a large source of uncertainty, and we identify upper and lower bounds from the literature data. Under the most optimistic assumptions, we find that a ferritic steel permeator operating at 470 degrees C will need to be about twenty times larger in volume than previous conceptual designs using niobium and operating at higher temperatures.
C1 [Humrickhouse, Paul W.; Merrill, Brad J.] Idaho Natl Lab, Idaho Falls, ID 83402 USA.
RP Humrickhouse, PW (reprint author), Idaho Natl Lab, POB 1625,MS 3840, Idaho Falls, ID 83402 USA.
EM paul.humrickhouse@inl.gov
FU U.S. Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-AC07-05ID14517]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Fusion Energy Sciences, under
contract number DE-AC07-05ID14517.
NR 31
TC 1
Z9 1
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 295
EP 302
PG 8
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800015
ER
PT J
AU Combs, SK
Baylor, LR
Foust, CR
Frattolillo, A
Lyttle, MS
Meitner, SJ
Migliori, S
AF Combs, S. K.
Baylor, L. R.
Foust, C. R.
Frattolillo, A.
Lyttle, M. S.
Meitner, S. J.
Migliori, S.
TI EXPERIMENTAL STUDY OF THE PROPELLANT GAS LOAD REQUIRED FOR PELLET
INJECTION WITH ITER-RELEVANT OPERATING PARAMETERS
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB An existing pipe gun test facility at ORNL was used for an experimental study of propellant gas loads required for ITER-relevant pellet injection, with the key objective of determining the minimal amount of gas required for optimal pellet speeds. Two pellet sizes were tested, with nominal 4.4 and 3.2 mm diameters comparable to pellets planned for fueling and ELM pacing in ITER, respectively. A novel scheme was used to freeze solid pellets from room temperature gas; this facilitated operations at higher temperatures (14.5 to 16.5 K, similar to those planned for extruder operations for ITER pellet injectors) and thus lower pellet breakaway pressures and gas loads. Most of the single-shot D-2 pellet tests were carried out with a relatively low H-2 propellant gas load of similar to 0.0133 bar-L. Some limited testing was also carried out with a mixed propellant gas that consisted mostly of D-2, which is more representative of the gas that will be used for ITER pellet injection. In testing it was found that this reference gas load resulted in pellet speeds in close proximity to a speed limit (similar to 300 m/s) previously determined in a series of tests with D-2 pellets shot through a mock-up of the curved guide tubes planned for the ITER installation (for pellet fueling from the magnetic high-field side). The equipment, operations, and test results are presented and discussed, with emphasis on the relevance for ITER operations.
C1 [Combs, S. K.; Baylor, L. R.; Foust, C. R.; Lyttle, M. S.; Meitner, S. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Frattolillo, A.; Migliori, S.] ENEA CR Frascati, Rome, Italy.
RP Combs, SK (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM combssk@ornl.gov
FU UT-Battelle, LLC under U.S. Department of Energy [DE-AC05-00OR22725]
FX This manuscript has been authored by UT-Battelle, LLC under Contract No.
DE-AC05-00OR22725 with the U.S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The Department of Energy will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 13
TC 1
Z9 1
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 319
EP 325
PG 7
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800019
ER
PT J
AU Khodak, A
Titus, P
Zatz, I
Nagy, A
Winkelman, J
Nazikian, R
Scoville, T
AF Khodak, A.
Titus, P.
Zatz, I.
Nagy, A.
Winkelman, J.
Nazikian, R.
Scoville, T.
TI DIII-D NEUTRAL BEAM POLE SHIELDS DESIGN INCLUDING COPPER PLATE WITH
REMOVABLE MOLYBDENUM INSERT
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB The neutral beam copper pole shields currently in service at DIII-D have experienced localized melting and fatigue cracks in the grooves machined in the back of the copper plates. Higher power is now desired out of the neutral beams, requiring a pole shield upgrade to handle the elevated thermal load. The Princeton Plasma Physics Laboratory is responsible for the design and manufacturing of the pole shield upgrade.
Since the heat flux on the pole shield is highly localized, the new design includes a molybdenum insert, positioned in the area of the maximum thermal loading, mounted in the copperplate, which is cooled by a single cooling channel. A ten segment design was implemented, with loose tongue and groove connections, to allow in situ assembly and maintenance.
To validate the design, numerical simulations were performed using ANSYS workbench and consisted of two stages: 1. during the first stage unsteady fluid flow simulation was performed in conjunction with heat transfer analysis in the insert, copper plate, and water cooling system; 2. during the second stage, the temperature distribution was used to specify thermal strains, and perform transient structural analysis.
C1 [Khodak, A.; Titus, P.; Zatz, I.; Nagy, A.; Winkelman, J.; Nazikian, R.] Princeton Univ, PPPL, Princeton, NJ 08543 USA.
[Scoville, T.] Gen Atom, San Diego, CA 92121 USA.
RP Khodak, A (reprint author), Princeton Univ, PPPL, POB 451, Princeton, NJ 08543 USA.
EM akhodak@pppl.gov
FU US DOE [DE-AC02-09CH11466]
FX This work is supported by the US DOE Contract No. DE-AC02-09CH11466.
NR 4
TC 0
Z9 0
U1 0
U2 2
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 373
EP 377
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800029
ER
PT J
AU Coffey, E
Bigelow, T
Griffith, I
Hanson, G
Lumsdaine, A
Luttrell, C
Rasmussen, D
Schaich, C
Wolframe, B
AF Coffey, Ethan
Bigelow, Tim
Griffith, Ira
Hanson, Greg
Lumsdaine, Arnold
Luttrell, Claire
Rasmussen, David
Schaich, Chuck
Wolframe, Bill
TI ANALYSIS OF COOLING FOR THE ITER ECH WAVEGUIDE TRANSMISSION LINE
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB Finite element analysis calculations are performed to determine the temperature profile in sections of the ITER Electron Cyclotron Heating (ECH) transmission line waveguide. Each aluminum, corrugated waveguide transmission line will transmit up to 1.5 MW of electromagnetic radiation over roughly 200 meters from a 170 GHz gyrotron to heat the plasma in the tokamak The "ridged tube" waveguide has integral water cooling traces which are lined with copper tubing. Each transmission line includes miter bends which may be actively cooled and waveguide couplings, where the waveguide cannot be actively cooled due to coupling hardware. The amount of cooling water available is limited, so determining the required amount of water in the cooling lines is essential. Finite element computational analyses are performed to determine the effect of the heat load and water cooling on the temperature profile of the waveguide in various steady-state cases.
C1 [Coffey, Ethan; Bigelow, Tim; Griffith, Ira; Hanson, Greg; Lumsdaine, Arnold; Luttrell, Claire; Rasmussen, David; Schaich, Chuck; Wolframe, Bill] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Coffey, E (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
EM coffeyen@ornl.gov
FU UT-Battelle, LLC under U.S. Department of Energy [DE-AC05-00OR22725]
FX This manuscript has been authored by UT-Battelle, LLC, under Contract
No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United
States Government retains and the publisher, by accepting the article
for publication, acknowledges that the United States Government retains
a non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The Department of Energy will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access Plan
(http://energy.govidownloads/doe-publicaccess-plan).
NR 10
TC 0
Z9 0
U1 0
U2 3
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 383
EP 387
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800031
ER
PT J
AU Luttrell, C
Bigelow, T
Coffey, E
Griffith, I
Hanson, G
Lumsdaine, A
Melin, A
Schaich, C
AF Luttrell, Claire
Bigelow, Tim
Coffey, Ethan
Griffith, Ira
Hanson, Greg
Lumsdaine, Arnold
Melin, Alex
Schaich, Chuck
TI ANALYSIS OF ITER ECH TRANSMISSION LINE WAVEGUIDE COUPLINGS
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB The ITER Electron Cyclotron Heating (ECH) system will produce a high-intensity beam of electromagnetic radiation for plasma heating. A total of 20 MW of power will be transferred from 170 GHz gyrotrons through multiple transmission lines. The transmission lines consist of evacuated, aluminum, circularly corrugated waveguides that will each transmit up to 1.5 MW for up to 3600 seconds. The waveguides, as well as mirror and polarizer components, will be actively water cooled in order to support the heat load from the long-pulse high-power radiation. Transmission lines will be as long as 200 meters, made up of individual lengths of 2 to 4 meter pieces that are joined by couplings. These couplings must retain high vacuum during operation, and maintain a very high degree of straightness between adjacent waveguide pieces. Analyses have been performed to examine various parameters of the design of these couplings, and confirm that stringent criteria are met during installation and operation. Further couplings are used to join the waveguide to other transmission line components, such as miter bends, expansion units, and switches. All of these are analyzed to confirm structural integrity during operation.
C1 [Luttrell, Claire; Bigelow, Tim; Coffey, Ethan; Griffith, Ira; Hanson, Greg; Lumsdaine, Arnold; Melin, Alex; Schaich, Chuck] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Luttrell, C (reprint author), Oak Ridge Natl Lab, POB 2008 MS6054, Oak Ridge, TN 37831 USA.
EM luttrellcr@ornl.gov
FU UT-Battelle, LLC under U.S. Department of Energy [DE-AC0500OR22725]
FX This manuscript has been authored by UT-Battelle, LLC, under Contract
No. DE-AC0500OR22725 with the U.S. Department of Energy. The United
States Government retains and the publisher, by accepting the article
for publication, acknowledges that the United States Government retains
a non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for the United States Government purposes. The Department of Energy
will provide public access to these results of federally sponsored
research in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 6
TC 0
Z9 0
U1 0
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 402
EP 406
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800035
ER
PT J
AU Smith, M
Zhai, Y
Loesser, G
Wang, W
Udintsev, V
Giacomin, T
Khodak, A
Johnson, D
Feder, R
Klabacha, J
AF Smith, M.
Zhai, Y.
Loesser, G.
Wang, W.
Udintsev, V.
Giacomin, T.
Khodak, A.
Johnson, D.
Feder, R.
Klabacha, J.
TI ANALYSIS OF ITER UPPER PORT DIAGNOSTIC FIRST WALLS
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB The Diagnostic First Walls (DFWs) were designed to handle the plasma nuclear and radiant heating along with electro-magnetic loading induced from plasma disruptions. The DFWs also provide custom viewing apertures for the diagnostics within. Consequently, the DFWs contain numerous complex water cooling channels and are designed per ITER SDC-IC for design by analysis.
This paper presents the analyses of the Upper Port DFWs proceeding to a final design review. The finite element analyses (FEAs) performed include neutronics, radiative heating, coupled fluid dynamics and heat transfer, and static and transient structural analysis using the combined multi-physics load conditions. Static structural FEAs performed account for the dynamic amplification effects of the transient load. A detailed bolt analysis was also performed per the ITER SDC-IC bolt evaluation based on reaction loads obtained from the mechanical simulations. Note: Some figures in this paper are in color only in the electronic version
C1 [Smith, M.; Zhai, Y.; Loesser, G.; Wang, W.; Khodak, A.; Johnson, D.; Feder, R.; Klabacha, J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Udintsev, V.; Giacomin, T.] ITER Org, F-13115 St Paul Les Durance, France.
RP Smith, M (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM msmith@pppl.gov
FU US DOE [DE-AC02-09CH11466]
FX This work is supported by US DOE contract No. DE-AC02-09CH11466.
NR 4
TC 0
Z9 0
U1 0
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 407
EP 411
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800036
ER
PT J
AU Tresemer, KR
Wood, R
Feder, R
Konkel, L
Klabacha, J
AF Tresemer, K. R.
Wood, R.
Feder, R.
Konkel, L., Jr.
Klabacha, J.
TI PRELIMINARY NEUTRONICS ANALYSIS OF THE ITER TOROIDAL INTERFEROMETER AND
POLARIMETER DIAGNOSTIC CORNER CUBE RETROREFLECTORS
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB ITER is an international project under construction in France that will demonstrate nuclear fusion at a power plant-relevant scale. The Toroidal Interferometer and Polarimeter (TIP) Diagnostic will be used to measure the plasma electron line density along 5 laser-beam chords. This line-averaged density measurement will be input to the ITER feedback-control system. The TIP is considered the primary diagnostic for these measurements, which are needed for basic ITER machine control. Therefore, system reliability & accuracy is a critical element in TIP's design.
There are two major challenges to the reliability of the TIP system. First is the survivability and performance of in-vessel optics and second is maintaining optical alignment over long optical paths and large vessel movements. Both of these issues greatly depend on minimizing the overall distortion due to neutron & gamma heating of the Corner Cube Retroreflectors (CCRs). These are small optical mirrors embedded in five first wall locations around the vacuum vessel, corresponding to certain plasma tangency radii. During the development of the design and location of these CCRs, several iterations of neutronics analyses were performed to determine and minimize the total distortion due to nuclear heating of the CCRs. The CCR corresponding to TIP Channel 2 was chosen for analysis as a good middle-road case, being an average distance from the plasma (of the five channels) and having moderate neutron shielding from its blanket shield housing. Results show that Channel 2 meets the requirements of the TIP Diagnostic, but barely. These results suggest other CCRs might be at risk of exceeding thermal deformation due to nuclear heating.
C1 [Tresemer, K. R.; Wood, R.; Feder, R.; Konkel, L., Jr.; Klabacha, J.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
RP Tresemer, KR (reprint author), Princeton Plasma Phys Lab, 100 Stellarator Rd, Princeton, NJ 08540 USA.
EM ktresemer@pppl.gov
FU US DOE [DE-AC02-09CH1146]; PPPL
FX This work is supported by US DOE Contract No. DE-AC02-09CH1146. PPPL
Prime Contract Number DE-AC02-09CH11466. All US activities are managed
by the US ITER Project Office, hosted by Oak Ridge National Laboratory
with partner labs Princeton Plasma Physics Laboratory.
NR 4
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 412
EP 415
PG 4
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800037
ER
PT J
AU Titus, PH
Dudek, L
Smith, M
Brooks, A
AF Titus, Peter H.
Dudek, L.
Smith, M.
Brooks, A.
TI NSTX-U CONSTRUCTION RELATED ANALYSIS ISSUES
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB The National Spherical Torus Experiment Upgrade (NSTX-U) is currently under construction at Princeton Plasma Physics Laboratory (PPPL) It is scheduled to start operations early in 2015. Upgrade designs were analyzed and qualified prior to the beginning of construction, but many issues arose during manufacture and assembly that required adjustments in design and analysis of components. Some designs relied on testing that occurred after final design when the actual material and processes were selected by vendors or in-house shops. Design of some components, like the bus bars, was deferred until field run interferences could be identified. Some components used materials that did not meet original specifications. New materials or processes had to be found and components sometimes needed requalification. PPPL responsible or "Cognizant Engineers" (COG's) and analysts worked closely to work out resolution of issues and perform redesign and reanalysis. Revisions to calculations were prepared and filed. Some significant items addressed during the construction period (or Title III in DOE parlance) are selected for more detailed discussion.
C1 [Titus, Peter H.; Dudek, L.; Smith, M.; Brooks, A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
RP Titus, PH (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
EM ptitus@pppl.gov
FU US DOE [DE-AC02-09CH11466]
FX This work is supported by US DOE Contract No. DE-AC02-09CH11466
NR 5
TC 0
Z9 0
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 416
EP 422
PG 7
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800038
ER
PT J
AU Kotulski, JD
Coats, RS
AF Kotulski, Joseph D.
Coats, Rebecca S.
TI TRANSIENT ELECTROMAGNETIC ANALYSIS OF BLANKET MODULES 14 AND 15 IN
DIFFERENT SECTORS OF THE ITER BLANKET SYSTEM DUE TO PLASMA DISRUPTION
SO FUSION SCIENCE AND TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT 21st American-Nuclear-Society (ANS) Topical Meeting on the Technology of
Fusion Energy (TOFE)
CY NOV 10-13, 2014
CL Anaheim, CA
SP Amer Nucl Soc, US Dept Energy, Off Fusion Energy Sci
AB The ITER blanket system provides shielding of the plasma controlling field coils and vacuum vessel from the plasma heat flux as well as nuclear heating from the plasma. In addition to the thermal requirements the blanket module attachment scheme must withstand the electromagnetic forces that occur during possible plasma disruption events. During a plasma disruption event eddy currents are induced in the blanket module (first wall and shield block) and interact with the large magnetic fields to produce forces which could potentially cause mechanical failure. For this reason the design and qualification of the ITER blanket system requires appropriate high-fidelity electromagnetic simulations that capture the physics of these disruption scenarios.
The key features of the analysis procedure will be described including the modeling of the geometry of the blanket modules and the plasma current during disruption.
The electromagnetic calculations are performed using the Opera-3d software. This software solves the transient 3D finite element problem from which the eddy currents are calculated. The electromagnetic loads due to these eddy currents are then calculated and translated to the local coordinate system of the blanket module of interest.
C1 [Kotulski, Joseph D.; Coats, Rebecca S.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Kotulski, JD (reprint author), Sandia Natl Labs, 1515 Eubank SE,POB 5800, Albuquerque, NM 87185 USA.
EM jdkotul@sandia.gov
FU Oak Ridge National Laboratory for United States Department of Energy
[DE-AC05-00OR22725]; US ITER Project Office
FX This work was funded by the US ITER Project Office, Oak Ridge National
Laboratory, which is managed and operated by UT-Battelle, LLC for the
United States Department of Energy under contract number
DE-AC05-00OR22725.
NR 5
TC 0
Z9 0
U1 0
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 1536-1055
EI 1943-7641
J9 FUSION SCI TECHNOL
JI Fusion Sci. Technol.
PD SEP
PY 2015
VL 68
IS 2
BP 438
EP 442
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5YR
UT WOS:000361420800042
ER
PT J
AU Magnusdottir, L
Finsterle, S
AF Magnusdottir, Lilja
Finsterle, Stefan
TI An iTOUGH2 equation-of-state module for modeling supercritical
conditions in geothermal reservoirs
SO GEOTHERMICS
LA English
DT Article
DE Supercritical water; Magmatic intrusion; High enthalpy fluids; Numerical
modeling; iTOUGH2
ID SIMULATION; SYSTEMS
AB High enthalpy geothermal fluid is becoming more desirable for energy production with advancing technology. In this study, a new equation-of-state module termed EOS1sc was developed for iTOUGH2, to provide forward and inverse Modeling capabilities at supercritical conditions. As a verification exercise, test cases of five-spot geothermal problems and of a cooling pluton were studied. The IAPWS-IF97 and IAPWS-95 thermodynamic formulations were examined, and results of EOS1sc were compared to other simulators. Advantages of EOS1sc over current geothermal simulators include higher operational range for pressure and temperature, better accuracy, higher computational speed, and/or inverse modeling capabilities. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Magnusdottir, Lilja; Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Magnusdottir, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM lmagnusdottir@lbl.gov
RI Finsterle, Stefan/A-8360-2009
OI Finsterle, Stefan/0000-0002-4446-9906
FU Geothermal Research Group (GEORG); U.S. Dept. of Energy
[DE-AC02-05CH11231]
FX Gratitude goes to the Geothermal Research Group (GEORG) for funding this
study. The second author was supported, in part, by the U.S. Dept. of
Energy under Contract No. DE-AC02-05CH11231.
NR 29
TC 2
Z9 2
U1 0
U2 8
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD SEP
PY 2015
VL 57
BP 8
EP 17
DI 10.1016/j.geothermics.2015.05.003
PG 10
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA CR3UC
UT WOS:000361257600002
ER
PT J
AU Moradi, A
Smits, KM
Massey, J
Cihan, A
McCartney, J
AF Moradi, Ali
Smits, Kathleen M.
Massey, Jacob
Cihan, Abdullah
McCartney, John
TI Impact of coupled heat transfer and water flow on soil borehole thermal
energy storage (SBTES) systems: Experimental and modeling investigation
SO GEOTHERMICS
LA English
DT Article
DE SBTES systems; Vadose zone; Convective heat transfer; Phase change;
Numerical model; Experimental investigation
ID HYDRAULIC CONDUCTIVITY; TEMPERATURE-GRADIENTS; SEASONAL STORAGE;
PHASE-CHANGE; MOISTURE; PERFORMANCE; EXCHANGERS; MOVEMENT; PRESSURE;
EQUATION
AB A promising energy storage option is to inject and store heat generated from renewable energy sources in geothermal borehole arrays to form soil-borehole thermal energy storage (SBTES) systems. Although it is widely recognized that the movement of water in liquid and vapor forms through unsaturated soils is closely coupled to heat transfer, these coupled processes have not been considered in modeling of SBTES systems located in the vadose zone. Instead, previous analyses have assumed that the soil is a purely conductive medium with constant hydraulic and thermal properties. Numerical modeling tools that are available to consider these coupled processes have not been applied to SBTES systems partly due to the scarcity of field or laboratory data needed for validation. The goal of this work is to test different conceptual and mathematical formulations that are used in heat and mass transfer theories and determine their importance in modeling SBTES systems. First, a non-isothermal numerical model that simulates coupled heat, water vapor and liquid water flux through soil and considers non-equilibrium liquid/gas phase change was adopted to simulate SBTES systems. Next, this model was used to investigate different coupled heat transfer and water flow using nonisothermal hydraulic and thermal constitutive models. Data collected from laboratory-scale tank tests involving heating of an unsaturated sand layer were used to validate the numerical simulations. Results demonstrate the need to include thermally induced water flow in modeling efforts as well as convective heat transfer, especially when modeling unsaturated flow systems. For the boundary conditions and soil types considered, convective heat flux arising from thermally induced water flow was greater than heat transfer due to conductive heat flux alone. Although this analysis needs to be applied to the geometry and site conditions for SBTES systems in the vadose zone, this observation indicates that thermally induced water flow can have significant effects on the efficiency of heat injection and extraction. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Moradi, Ali; Smits, Kathleen M.; Massey, Jacob] Colorado Sch Mines, Dept Civil & Environm Engn, Ctr Expt Study Subsurface Environm Proc CESEP, Golden, CO 80401 USA.
[Cihan, Abdullah] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[McCartney, John] Univ Calif San Diego, Dept Struct Engn, San Diego, CA 92103 USA.
RP Moradi, A (reprint author), Colorado Sch Mines, Dept Civil & Environm Engn, Ctr Expt Study Subsurface Environm Proc CESEP, Golden, CO 80401 USA.
EM amoradig@mines.edu
RI Cihan, Abdullah/D-3704-2015
FU National Science Foundation (NSF) Sustainable Energy Pathways (SEP)
Collaborative Project [CMMI-1230544]
FX This research was funded by National Science Foundation (NSF)
Sustainable Energy Pathways (SEP) Collaborative Project Award Number
CMMI-1230544. The content is solely the responsibility of the authors
and does not necessarily represent the official views of the National
Science Foundation (NSF).
NR 71
TC 6
Z9 6
U1 3
U2 19
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD SEP
PY 2015
VL 57
BP 56
EP 72
DI 10.1016/j.geothermics.2015.05.007
PG 17
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA CR3UC
UT WOS:000361257600006
ER
PT J
AU Pandey, SN
Chaudhuri, A
Rajaram, H
Kelkar, S
AF Pandey, S. N.
Chaudhuri, A.
Rajaram, H.
Kelkar, S.
TI Fracture transmissivity evolution due to silica
dissolution/precipitation during geothermal heat extraction
SO GEOTHERMICS
LA English
DT Article
DE Geothermal energy; Enhanced geothermal systems (EGS); Injectivity;
Amorphous silica; Dissolution/precipitation; Heterogeneous reservoir;
Correlation length
ID REACTIVE TRANSPORT; AMORPHOUS SILICA; ROCK FRACTURES; RESERVOIR; ENERGY;
PERMEABILITY; INJECTION; SYSTEM; IMPACT; FIELD
AB We present thermo-hydro-chemical simulations of silicic geothermal reservoirs over similar to 20 year durations. For injection of undersaturated or oversaturated water with respect to the solubility of amorphous silica, the highest rates of reactive alteration occur at some distance away from the injection well. This is largely because the temperature dependence of the reaction rate plays a much greater role than temperature dependent solubility. For oversaturated injection, precipitation occurs in a band, confining the flow system to smaller areas. For undersaturated injection, dissolution causes permeability growth far from the injection well, resulting in longer flowpaths that prevent short-circuits, which implies favorable conditions for sustained energy production. Initial permeability heterogeneity influences reservoir response significantly only when the correlation lengths are of the order of 1/10th of the fracture size or more. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Pandey, S. N.; Chaudhuri, A.] Indian Inst Technol, Dept Appl Mech, Madras 600036, Tamil Nadu, India.
[Rajaram, H.] Univ Colorado, Dept Civil Environm & Architectural Engn, Boulder, CO 80309 USA.
[Kelkar, S.] Los Alamos Natl Lab, Computat Earth Sci Grp, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
RP Chaudhuri, A (reprint author), Indian Inst Technol, Dept Appl Mech, Madras 600036, Tamil Nadu, India.
EM abhijit.chaudhuri@iitm.ac.in
FU MHRD, Government of India
FX The authors wish to thank Dr. J. Moore and two anonymous reviewers for
their constructive comments, which helped to improve the quality of the
paper. The first author is thankful to the MHRD, Government of India,
for providing the fellowship to pursue PhD at Indian Institute of
Technology Madras, Chennai, India.
NR 37
TC 4
Z9 4
U1 2
U2 10
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD SEP
PY 2015
VL 57
BP 111
EP 126
DI 10.1016/j.geothermics.2015.06.011
PG 16
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA CR3UC
UT WOS:000361257600011
ER
PT J
AU Chen, T
Huang, LJ
AF Chen, Ting
Huang, Lianjie
TI Directly imaging steeply-dipping fault zones in geothermal fields with
multicomponent seismic data
SO GEOTHERMICS
LA English
DT Article
DE Steeply-dipping fault; Seismic imaging; Elastic reverse-time migration;
Wavefield separation; Geothermal exploration; Poynting vector
ID REVERSE-TIME-MIGRATION; WAVE-EQUATION; FLUID-FLOW; EXPLORATION;
SEPARATION
AB For characterizing geothermal systems, it is important to have clear images of steeply-dipping fault zones because they may confine the boundaries of geothermal reservoirs and influence hydrothermal flow. Elastic reverse-time migration (ERTM) is the most promising tool for subsurface imaging with multicomponent seismic data. However, conventional ERTM usually generates significant artifacts caused by the cross correlation of undesired wavefields and the polarity reversal of shear waves. In addition, it is difficult for conventional ERTM to directly image steeply-dipping fault zones. We develop a new ERTM imaging method in this paper to reduce these artifacts and directly image steeply-dipping fault zones. In our new ERTM method, forward-propagated source wavefields and backward-propagated receiver wavefields are decomposed into compressional (P) and shear (S) components. Each component of these wavefields is separated into left- and right-going, or downgoing and upgoing waves. The cross correlation imaging condition is applied to the separated wavefields along opposite propagation directions. For converted waves (P-to-S or S-to-P), the polarity correction is applied to the separated wavefields based on the analysis of Poynting vectors. Numerical imaging examples of synthetic seismic data demonstrate that our new ERTM method produces high-resolution images of steeply-dipping fault zones. Published by Elsevier Ltd.
C1 [Chen, Ting; Huang, Lianjie] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM 87545 USA.
RP Chen, T (reprint author), Los Alamos Natl Lab, MS D446, Los Alamos, NM 87545 USA.
EM tchen@lanl.gov; ljh@lanl.gov
OI Chen, Ting/0000-0002-9599-871X
FU Geothermal Technologies Program of the U.S. Department of Energy
[DE-AC52-06NA25396]
FX This work was supported by the Geothermal Technologies Program of the
U.S. Department of Energy through contract DE-AC52-06NA25396 to Los
Alamos National Laboratory. The computation was performed on
super-computers provided by the Institutional Computing Program of Los
Alamos National Laboratory. We thank James Echols for his help in
building the velocity model for the Soda Lake geothermal site. The model
is built in reference to a time migration result provided by Magma
Energy (U.S.) Corp. We thank Kenneth Hanson of Los Alamos National
Laboratory for his help in refining this manuscript, Associate Editor
Joseph Moore and two anonymous reviewers for their valuable comments.
NR 43
TC 0
Z9 0
U1 3
U2 8
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD SEP
PY 2015
VL 57
BP 238
EP 245
DI 10.1016/j.geothermics.2015.07.003
PG 8
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA CR3UC
UT WOS:000361257600021
ER
PT J
AU Gasperikova, E
Rosenkjaer, GK
Arnason, K
Newman, GA
Lindsey, NJ
AF Gasperikova, Erika
Rosenkjaer, Gudni K.
Arnason, Knutur
Newman, Gregory A.
Lindsey, Nathaniel J.
TI Resistivity characterization of the Krafla and Hengill geothermal fields
through 3D MT inverse modeling
SO GEOTHERMICS
LA English
DT Article
DE Magnetotellurics; 3D inversion; Geothermal; Iceland; Krafla; Hengill
ID ELECTROMAGNETIC METHODS; WELL IDDP-1; ICELAND; EVOLUTION; VOLCANO
AB Krafla and Hengill volcanic complexes, located 300 km apart, are both known as high-temperature geothermal systems located within neo-volcanic zones of Iceland. This paper demonstrates the utilization of three-dimensional (3D) magnetotelluric (MT) inversions from three different inverse modeling algorithms, which leads to characterizing the electrical resistivity structure of geothermal reservoirs with a much greater level of confidence in accuracy and resolution than if a single algorithm was employed in the data interpretation. These are the first 3D MT inversions of a Krafla MT dataset. The inverted model of electrical resistivity is a classic example of a high-temperature hydrothermal system, with a highly resistive near-surface layer, identified as unaltered porous basalt, overlying a low resistivity cap corresponding to the smectite zeolite zone. This layer is in turn underlain by a more resistive zone, identified as the epidote chlorite zone, also called the resistive core, which is often associated with production of geothermal fluids. The electrical structure in the upper 1-2 km does not correlate with lithology but with alteration mineralogy. At the location of the IDDP-1 well, which encountered magma at 2.1 km depth, the resistivity image shows high resistivity, most likely due to the epidote chlorite geology and the presence of deeper superheated or supercritical fluids. Two km northwest of the well, however, an intrusive low-resistivity feature is imaged rising from depth, and a plausible interpretation is that of a magma intrusion. One possible explanation for the magma encounter at the IDDP-1 well is the existence of pathways or fissures connected to the magma chamber and intersected by the well. The MT response to these magma pathways is not discernible in the existing data, perhaps because this magma volume is below the threshold of resolvability. The electrical resistivity structure of the Hengill geothermal area also reveals characteristic features of a high temperature geothermal system with two low-resistivity layers. The nature of the uppermost low-resistivity layer and the increasing resistivity below it is attributed to hydrothermal mineral alteration, while the nature of the deep low-resistivity layer, centered over the northeast, is not yet well understood. The geothermal system in the northeast area appears to be shallower than the system manifested in the southwest. 3D MT inversions of Krafl a and Hengill data sets show that knowledge of the subsurface electrical resistivity contributes substantially to a better understanding of complex geothermal systems. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Gasperikova, Erika; Newman, Gregory A.; Lindsey, Nathaniel J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Rosenkjaer, Gudni K.; Arnason, Knutur] ISOR Iceland GeoSurvey, IS-108 Reykjavik, Iceland.
[Rosenkjaer, Gudni K.] Univ British Columbia, Vancouver, BC V6T 1Z4, Canada.
RP Gasperikova, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS74R316C, Berkeley, CA 94720 USA.
EM egasperikova@lbl.gov
RI Newman, Gregory/G-2813-2015; Gasperikova, Erika/D-1117-2015
OI Gasperikova, Erika/0000-0003-1553-4569
FU U.S. Department of Energy Geothermal Program Office
[GT-480010-19823-10]; Office of Basic Energy Sciences
[DE-AC02-05CH11231]; Iceland Geosurvey and Geothermal Research Group
GEORG
FX This work was carried out at Lawrence Berkeley National Laboratory, with
funding provided by the U.S. Department of Energy Geothermal Program
Office under contract GT-480010-19823-10, and Office of Basic Energy
Sciences under contract DE-AC02-05CH11231. Funding for G.K. Rosenkjaer
and K. Arnason was provided by Iceland Geosurvey and Geothermal Research
Group GEORG. We would like to thank three anonymous reviewers for
suggestions and comments that improved this manuscript.
NR 39
TC 4
Z9 4
U1 1
U2 22
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD SEP
PY 2015
VL 57
BP 246
EP 257
DI 10.1016/j.geothermics.2015.06.015
PG 12
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA CR3UC
UT WOS:000361257600022
ER
PT J
AU Rosenkjaer, GK
Gasperikova, E
Newman, GA
Arnason, K
Lindsey, NJ
AF Rosenkjaer, Gudni Karl
Gasperikova, Erika
Newman, Gregory A.
Arnason, Knutur
Lindsey, Nathaniel J.
TI Comparison of 3D MT inversions for geothermal exploration: Case studies
for Krafla and Hengill geothermal systems in Iceland
SO GEOTHERMICS
LA English
DT Article
DE Magnetotellurics; 3D inversion; Geothermal; Iceland; Krafla; Hengill
ID 3-DIMENSIONAL MAGNETOTELLURIC INVERSION; FIELD
AB The magnetotelluric (MT) method is important for exploration of geothermal systems. The information on the Earth's resistivity obtained with MT methods has been valuable in imaging the hydrothermal alteration of such systems. Given its ability to recover complex resistivity models for the Earth, three-dimensional (3D) MT inversion has become a common practice in geothermal exploration. However, 3D inversion is a time-consuming a nd complicated procedure that relies on computer algorithms to search for a model that can explain the measured data to a sufficient level. Furthermore, many elements of inversion require input from the practitioner, which can easily bias the results. Consequently, final 3D MT results depend on various factors, including the inversion code, the model mesh used to represent the Earth, data quality and processing, and constraints imposed during the inversion procedure.
In this paper, to explore how this variability in 3D MT modeling impacts the final model, we invert MT data sets from the Krafla and Hengill geothermal areas in Iceland, using three different inversion codes. In each case, the modelers had the freedom to select a subset of the data and implement the inversion for the respective code in an optimized way. We compare the results from all the inversion codes, as well as consider the setup and assumptions made during the inversion process, all of which helps enhance the robustness and quality of the results. The comparison is done in multiple ways, using visual comparison of the recovered resistivity models, as well as comparing the structural similarities of the models by employing a structural correlation metric based on cross-gradients and other types of metrics for structural correlation. This approach highlights structures that are common in all three models, and implies that these structures are independent of the inversion code and necessary to fit the data.
All modeling results from both Krafla and Hengill are consistent to first order, recovering a conductive layer on top of a resistive core typical of high temperature geothermal systems. For Hengill, the models show strong structural agreement, with all inversions recovering a moderately layered resistivity model but adding detail to previous work done in the area. Major differences are found in areas with coarse data coverage and hence questionable model resolution. Where the recovered structures in different models coincide, our confidence that these structures are well-constrained by the data is elevated, in spite of the different setup and assumptions in the codes these structures are required; so they can be interpreted in terms of geology with more certainty. Results from Krafla are not as consistent as results for Hengill, related in part to the Krafla data being nosier than the Hengill data. The models from Krafla have coinciding larger structures, but small-scale structures there are less coherent. One of the consistent structures in all the models is a conductive zone reaching from a depth of 5 km to shallower depths in the northern part of the area. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Rosenkjaer, Gudni Karl] Univ British Columbia, Vancouver, BC V6T 1Z4, Canada.
[Gasperikova, Erika; Newman, Gregory A.; Lindsey, Nathaniel J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Rosenkjaer, Gudni Karl; Arnason, Knutur] Iceland Geosurvey, IS-108 Reykjavik, Iceland.
RP Rosenkjaer, GK (reprint author), Univ British Columbia, 6339 Stores Rd, Vancouver, BC V6T 1Z4, Canada.
EM grosenkj@eos.ubc.ca
RI Gasperikova, Erika/D-1117-2015
OI Gasperikova, Erika/0000-0003-1553-4569
FU Geothermal Research Group GEORG; Lawrence Berkeley National Laboratory;
US Department of Energy Geothermal Program Office [GT-480010-19823-10];
Office of Basic Energy Sciences [DE-AC02-05CH11231]
FX This work was carried out at University of British Columbia and Iceland
Geosurvey, with funding provided by Geothermal Research Group GEORG; and
at Lawrence Berkeley National Laboratory, with funding provided by the
US Department of Energy Geothermal Program Office under contract
GT-480010-19823-10, and Office of Basic Energy Sciences under Award No.
DE-AC02-05CH11231. We also want thank three anonymous reviewers for the
valuable comments and suggestions to improve the manuscript.
NR 25
TC 2
Z9 2
U1 6
U2 11
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD SEP
PY 2015
VL 57
BP 258
EP 274
DI 10.1016/j.geothermics.2015.06.001
PG 17
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA CR3UC
UT WOS:000361257600023
ER
PT J
AU Javedani, JB
Houck, TL
Poole, BR
White, AD
AF Javedani, J. B.
Houck, T. L.
Poole, B. R.
White, A. D.
TI The Application of Kiuttu's Formulation to Study Coaxial Flux
Compression Generators
SO IEEE TRANSACTIONS ON PLASMA SCIENCE
LA English
DT Article
DE Coaxial magnetic flux compression generators; pulsed power; vector
potential; ohmic losses; magnetic diffusion
AB A class of flux compression generators (FCGs) is based on the compression of the cross-sectional area of a coaxial geometry where the current flows along the outer conductor and returns through the inner conductor. This compression causes an increase in current since magnetic flux must be conserved. Kiuttu's inductive electric-field formulation is a powerful tool for the conceptual design of coaxial FCGs. The usefulness of this formulation is demonstrated in this paper for a simplified geometry using a finite-element partial differential equation solver (FlexPDE) for calculation of the inductive electric field. A time-varying applied current or a moving surface creates the nonconservative electric field. Losses due to diffusion of magnetic flux into conducting surfaces can also be accounted for and modeled in this setting. This analytical-computational approach serves as an important step in validating the magnetohydrodynamic (MHD) portion of the complex multiphysics parallel Lawrence Livermore code, Arbitrary Lagrangian-Eulerian (ALE3D). The nonintuitive boundary conditions involved in solving the otherwise straightforward partial differential equations are described in detail and illustrated in a simple model. The physical parameters used in the simulations are not based on a specific design.
C1 [Javedani, J. B.; Houck, T. L.; Poole, B. R.; White, A. D.] Lawrence Livermore Natl Lab, US Dept Energy, Livermore, CA 94550 USA.
RP Javedani, JB (reprint author), Lawrence Livermore Natl Lab, US Dept Energy, Livermore, CA 94550 USA.
EM javedani1@llnl.gov; houck1@llnl.gov; poole1@llnl.gov; White210@llnl.gov
FU U.S. Department of Energy [DE-AC52-07NA27344]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC52-07NA27344.
NR 2
TC 0
Z9 0
U1 0
U2 2
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0093-3813
EI 1939-9375
J9 IEEE T PLASMA SCI
JI IEEE Trans. Plasma Sci.
PD SEP
PY 2015
VL 43
IS 9
BP 3339
EP 3343
DI 10.1109/TPS.2015.2454447
PN 2
PG 5
WC Physics, Fluids & Plasmas
SC Physics
GA CR7KX
UT WOS:000361529600031
ER
PT J
AU Ampleford, DJ
Bland, SN
Jennings, CA
Lebedev, SV
Chittenden, JP
McBride, RD
Jones, B
Serrano, JD
Cuneo, ME
Hall, GN
Suzuki-Vidal, F
Bott-Suzuki, SC
AF Ampleford, David J.
Bland, Simon N.
Jennings, Christopher A.
Lebedev, Sergey V.
Chittenden, Jeremy P.
McBride, Ryan D.
Jones, Brent
Serrano, Jason D.
Cuneo, Michael E.
Hall, Gareth N.
Suzuki-Vidal, Francisco
Bott-Suzuki, Simon C.
TI Investigating Radial Wire Array Z-Pinches as a Compact X-Ray Source on
the Saturn Generator
SO IEEE TRANSACTIONS ON PLASMA SCIENCE
LA English
DT Article
DE Inertial Confinement Fusion; Plasma pinch; Radial Wire array Z-pinches
ID INERTIAL CONFINEMENT FUSION; DRIVEN HOHLRAUMS; POWER; PHYSICS
AB Radial wire array Z-pinches, where wires are positioned radially outward from a central cathode to a concentric anode, can act as a compact bright X-ray source that could potentially be used to drive a hohlraum. Experiments were performed on the 7-MA Saturn generator using radial wire arrays. These experiments studied a number of potential risks in scaling radial wire arrays up from the 1-MA level, where they have been shown to be a promising compact X-ray source. Data indicate that at 7 MA, radial wire arrays can radiate similar to 9 TW with 10-ns full-width at half-maximum from a compact pinch.
C1 [Ampleford, David J.; Jennings, Christopher A.; McBride, Ryan D.; Jones, Brent; Serrano, Jason D.; Cuneo, Michael E.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Bland, Simon N.; Lebedev, Sergey V.; Chittenden, Jeremy P.; Suzuki-Vidal, Francisco] Univ London Imperial Coll Sci Technol & Med, London SW7 2BW, England.
[Hall, Gareth N.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Bott-Suzuki, Simon C.] Univ Calif San Diego, La Jolla, CA 92093 USA.
RP Ampleford, DJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM damplef@sandia.gov; sn.bland@imperial.ac.uk; cjennin@sandia.gov;
s.lebedev@imperial.ac.uk; j.chittenden@imperial.ac.uk;
rdmcbri@sandia.gov; bmjones@sandia.gov; jdserra@sandia.gov;
mecuneo@sandia.gov; gareth.hall@imperial.ac.uk; f.suzuki@imperial.ac.uk;
sbottsuzuki@ucsd.edu
FU Sandia's Laboratory Directed Research and Development Program [117862];
U.S. Department of Energy's (DOE's) National Nuclear Security
Administration [DE-AC04-94AL85000]; National Nuclear Security
Administration through DOE [DE-FC03-02NA00057]; Engineering and Physical
Sciences Research Council
FX This work was supported by the Sandia's Laboratory Directed Research and
Development Program under Project 117862. Sandia National Laboratories
is a multi-program laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the U.S. Department of Energy's (DOE's) National Nuclear Security
Administration under Contract DE-AC04-94AL85000. The work of S.N. Bland,
S.V. Lebedev, J.P. Chittenden, G.N. Hall, and F. Suzuki-Vidal was
supported in part by the National Nuclear Security Administration
through DOE Cooperative Agreement under Grant DE-FC03-02NA00057 and in
part by the Engineering and Physical Sciences Research Council.
NR 32
TC 0
Z9 0
U1 2
U2 6
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0093-3813
EI 1939-9375
J9 IEEE T PLASMA SCI
JI IEEE Trans. Plasma Sci.
PD SEP
PY 2015
VL 43
IS 9
BP 3344
EP 3352
DI 10.1109/TPS.2015.2436339
PN 2
PG 9
WC Physics, Fluids & Plasmas
SC Physics
GA CR7KX
UT WOS:000361529600032
ER
PT J
AU Kennedy, DJ
Mayer, BP
Baker, SE
Valdez, CA
AF Kennedy, Daniel J.
Mayer, Brian P.
Baker, Sarah E.
Valdez, Carlos A.
TI Kinetics and speciation of paraoxon hydrolysis by
zinc(II)-azamacrocyclic catalysts
SO INORGANICA CHIMICA ACTA
LA English
DT Article
DE Pesticides; Organophosphorus; Hydrolysis; Catalysis; Zinc;
Phosphotriester
ID NERVE AGENT VX; CARBONIC-ANHYDRASE; ZINC(II) COMPLEX;
ALKALINE-HYDROLYSIS; MACROCYCLIC LIGAND; REACTION PATHWAYS; ENERGY
BARRIERS; MODEL; PHOSPHATE; ESTERS
AB Four Zn2+-azamacrocyclic complexes were investigated for their ability to catalyze the hydrolysis of the toxic organophosphate (OP) pesticide diethyl paraoxon. Of the four complexes studied, Zn2+-1,5,9-triazacyclododecane (Zn2+-[12]aneN(3)) was found to be the most effective catalyst with a pseudo-first order reaction rate of k = 6.08 +/- 0.23 x 10(-4) min(-1). Using P-31 nuclear magnetic resonance (NMR) spectroscopy, the two products diethyl phosphate (DEP) and ethyl (4-nitrophenyl) phosphate (E4NPP) were identified for both catalyzed and background hydrolysis of paraoxon. Reaction rate and selectivity for formation of the non-toxic DEP were observed to correlate with catalyst pK(a). The rate of formation of toxic E4NPP, however, was independent of both the presence and nature of the catalyst. The potential roles of buffer concentration and product inhibition were also investigated. Background hydrolysis at elevated reaction temperatures (50 degrees C) displayed no preference for DEP over that of E4NPP despite substantial differences between the characteristics (i.e., pK(a) values) of the two leaving groups (ethoxide vs. 4-nitrophenoxide anions). As with previous observations of these types of metal-catalyzed hydrolyses, we invoke the formation of a trigonal bipyramidal-like transition state involving a Zn-coordinated phosphate bond, with the leaving group at the apical position and the incoming HO- anion approaching from the opposite end. Kinetic rates for catalytic hydrolysis display an overwhelming propensity for DEP formation, and suggest the importance of steric restrictions on transition state structure, namely a concerted arrangement of the azamacrocycle in opposition to the bulky 4-nitrophenoxy group. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Kennedy, Daniel J.; Mayer, Brian P.; Valdez, Carlos A.] Lawrence Livermore Natl Lab, Forens Sci Ctr, Livermore, CA 94550 USA.
[Kennedy, Daniel J.; Mayer, Brian P.; Baker, Sarah E.; Valdez, Carlos A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
RP Valdez, CA (reprint author), Lawrence Livermore Natl Lab, Forens Sci Ctr, 7000 East Ave,L-091, Livermore, CA 94550 USA.
EM valdez11@llnl.gov
FU U.S. Department of Energy, Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Lawrence Livermore National Laboratory
[14-ERD-048]; United States government
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344 and support from Lawrence Livermore National
Laboratory (14-ERD-048). This document (LLNL-JRNL-663756) was prepared
as an account of work sponsored by an agency of the United States
government. Neither the United States government nor Lawrence Livermore
National Security, LLC, nor any of their employees makes any warranty,
expressed or implied, or assumes any legal liability or responsibility
for the accuracy, completeness, or usefulness of any information,
apparatus, product, or process disclosed, or represents that its use
would not infringe privately owned rights. Reference herein to any
specific commercial product, process, or service by trade name,
trademark, manufacturer, or otherwise does not necessarily constitute or
imply its endorsement, recommendation, or favoring by the United States
government or Lawrence Livermore National Security, LLC. The views and
opinions of authors expressed herein do not necessarily state or reflect
those of the United States government or Lawrence Livermore National
Security, LLC, and shall not be used for advertising or product
endorsement purposes.
NR 36
TC 1
Z9 1
U1 5
U2 20
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0020-1693
EI 1873-3255
J9 INORG CHIM ACTA
JI Inorg. Chim. Acta
PD SEP 1
PY 2015
VL 436
BP 123
EP 131
DI 10.1016/j.ica.2015.07.035
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CR2VB
UT WOS:000361187700015
ER
PT J
AU Wang, LC
Stowers, KJ
Zugic, B
Personick, ML
Biener, MM
Biener, J
Friend, CM
Madix, RJ
AF Wang, Lu-Cun
Stowers, Kara J.
Zugic, Branko
Personick, Michelle L.
Biener, Monika M.
Biener, Juergen
Friend, Cynthia M.
Madix, Robert J.
TI Exploiting basic principles to control the selectivity of the vapor
phase catalytic oxidative cross-coupling of primary alcohols over
nanoporous gold catalysts
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Nanoporous gold; Oxidation; Methyl ester synthesis; Selectivity;
Reaction mechanism; Heterogeneous catalysis
ID OXYGEN-ADSORPTION; AEROBIC OXIDATION; MOLECULAR-OXYGEN; ATOMIC OXYGEN;
CO OXIDATION; FORMIC-ACID; AU(110) SURFACE; LOW-TEMPERATURE; METALLIC
GOLD; METHANOL
AB Achieving high selectivity for high volume chemical synthesis is important for lowering energy consumption through reduction in waste. We report the selective synthesis of methyl esters-methyl acetate and methyl butyrate-through catalytic O-2-assisted cross-coupling of methanol with ethanol or 1-butanol using activated, support-free nanoporous gold (npAu). Both well-controlled studies on ingots in UHV and experiments under ambient pressure catalytic conditions on both ingots and microspherical hollow shell catalysts reveal guiding principles for controlling selectivity. Under UHV conditions, the ester products of the cross-coupling of methanol with both ethanol and 1-butanol evolve near room temperature in temperature-programmed reaction studies, indicating that the reactions occur facilely. Under steady-state catalytic operation, high stable activity was observed for cross-coupling in flowing gaseous reactant mixtures at atmospheric pressure and 423 K with negligible combustion. Optimum selectivity for cross-coupling is obtained in methanol-rich mixtures due to a combination of two factors: (1) the relative coverage of the respective alkoxys and (2) the relative facility of their beta-H elimination. The relative coverage of the alkoxys is governed by van der Waal's interactions between the alkyl groups and the surface; here, we demonstrate the importance of these weak interactions in a steady-state catalytic process. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Wang, Lu-Cun; Stowers, Kara J.; Zugic, Branko; Personick, Michelle L.; Friend, Cynthia M.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA.
[Friend, Cynthia M.; Madix, Robert J.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Biener, Monika M.; Biener, Juergen] Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA.
RP Friend, CM (reprint author), Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA.
EM friend@fas.harvard.edu
RI Wang, Lu-Cun/K-2632-2014
OI Wang, Lu-Cun/0000-0002-4930-8618
FU Integrated Mesoscale Architectures for Sustainable Catalysis, an Energy
Frontier Research Center - U.S. Department of Energy, Office of Science,
Basic Energy Sciences [DE-SC0012573]; U.S. Department of Energy by LLNL
[DE-AC52-07NA27344]
FX This work was supported as part of the Integrated Mesoscale
Architectures for Sustainable Catalysis, an Energy Frontier Research
Center funded by the U.S. Department of Energy, Office of Science, Basic
Energy Sciences under Award # DE-SC0012573. Work at LLNL was performed
under the auspices of the U.S. Department of Energy by LLNL under
Contract DE-AC52-07NA27344.
NR 51
TC 15
Z9 16
U1 9
U2 58
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9517
EI 1090-2694
J9 J CATAL
JI J. Catal.
PD SEP
PY 2015
VL 329
BP 78
EP 86
DI 10.1016/j.jcat.2015.04.022
PG 9
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA CR3RM
UT WOS:000361250800008
ER
PT J
AU Palomino, RM
Magee, JW
Llorca, J
Senanayake, SD
White, MG
AF Palomino, Robert M.
Magee, Joseph W.
Llorca, Jordi
Senanayake, Sanjaya D.
White, Michael G.
TI The effect of Fe-Rh alloying on CO hydrogenation to C2+ oxygenates
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Ethanol synthesis; Bimetallic catalysts; CO hydrogenation
ID FISCHER-TROPSCH SYNTHESIS; REDUCED RH/TIO2 CATALYSTS; SYNTHESIS GAS;
SUPPORTED RHODIUM; ETHANOL SYNTHESIS; EXAFS EVIDENCE; IN-SITU; SYNGAS;
IRON; PARTICLES
AB A combination of reactivity and structural studies using X-ray diffraction (XRD), pair distribution function (PDF), and transmission electron microscopy (TEM) was used to identify the active phases of Fe-modified Rh/TiO2 catalysts for the synthesis of ethanol and other C2+ oxygenates from CO hydrogenation. XRD and TEM confirm the existence of Fe-Rh alloys for catalyst with 1-7 wt% Fe and similar to 2 wt% Rh. Rietveld refinements show that FeRh alloy content increases with Fe loading up to similar to 4 wt%, beyond which segregation to metallic Fe becomes favored over alloy formation. Catalysts that contain Fe metal after reduction exhibit some carburization as evidenced by the formation of small amounts of Fe3C during CO hydrogenation. Analysis of the total Fe content of the catalysts also suggests the presence of FeOx also increased under reaction conditions. Reactivity studies show that enhancement of ethanol selectivity with Fe loading is accompanied by a significant drop in CO conversion. Comparison of the XRD phase analyses with selectivity suggests that higher ethanol selectivity is correlated with the presence of Fe-Rh alloy phases. Overall, the interface between Fe and Rh serves to enhance the selectivity of ethanol, but suppresses the activity of the catalyst which is attributed to the blocking or modifying of Rh active sites. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Palomino, Robert M.; Magee, Joseph W.; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Senanayake, Sanjaya D.; White, Michael G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Llorca, Jordi] Tech Univ Catalonia, Inst Energy Technol, Barcelona 08028, Spain.
[Llorca, Jordi] Tech Univ Catalonia, Ctr Res NanoEngn, Barcelona 08028, Spain.
RP White, MG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM mgwhite@bnl.gov
RI Senanayake, Sanjaya/D-4769-2009;
OI Senanayake, Sanjaya/0000-0003-3991-4232; Palomino,
Robert/0000-0003-4476-3512
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0012704]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences under Contract No.
DE-SC0012704. The XRD and PDF data were taken at the National
Synchrotron Light Source, which is a DOE Office of Science User Facility
located at Brookhaven National Laboratory. R.P. and M.G.W. would like to
acknowledge Charles T. Black at the Center for Functional Nanomaterials
at Brookhaven National Laboratory for helpful discussions and assistance
in catalysts' syntheses. J.L. is Serra Hunter Fellow and is grateful to
ICREA Academia program.
NR 41
TC 7
Z9 7
U1 9
U2 50
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9517
EI 1090-2694
J9 J CATAL
JI J. Catal.
PD SEP
PY 2015
VL 329
BP 87
EP 94
DI 10.1016/j.jcat.2015.04.033
PG 8
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA CR3RM
UT WOS:000361250800009
ER
PT J
AU Schimming, SM
Foo, GS
LaMont, OD
Rogers, AK
Yung, MM
D'Amico, AD
Sievers, C
AF Schimming, Sarah M.
Foo, Guo Shiou
LaMont, Onaje D.
Rogers, Allyson K.
Yung, Matthew M.
D'Amico, Andrew D.
Sievers, Carsten
TI Kinetics of hydrogen activation on ceria-zirconia
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Deuterium; Isotopic exchange; Hydrogenation; Dissociative adsorption;
Hydrodeoxygenation; Oxygen storage capacity
ID OXIDE FUEL-CELLS; ALUMINA-SUPPORTED PALLADIUM; SURFACE-AREA CERIA; GAS
SHIFT REACTION; ISOTOPIC EXCHANGE; TRANSPORT-PROPERTIES;
CATALYTIC-ACTIVITY; REDOX BEHAVIOR; MIXED OXIDES; X-RAY
AB Ceria-zirconias are popular catalysts and supports for metal particles. Even without supported metal particles, these materials are active for hydrogenation and hydrodeoxygenation reactions, where oxygen vacancies serve as the active site. To gain a detailed understanding of the ability of ceria-based catalysts to dissociatively adsorb hydrogen, H-2-D-2 exchange is studied as a test reaction. The density of exchangeable hydrogen per surface area approaches the values for typical metal surfaces. Below 250 degrees C, H-2-D-2 exchange occurs at oxygen vacancies with an activation energy of ca. 24 kJ mol(-1). At higher temperatures, additional sites at the edges of ceria-zirconia crystallites contribute to the reaction. The kinetics and the density of active sites for dissociative adsorption of hydrogen are correlated with physicochemical properties of the catalysts. Specifically, the crystallite size has a strong influence on the reactivity of different samples. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Schimming, Sarah M.; Foo, Guo Shiou; LaMont, Onaje D.; Rogers, Allyson K.; Sievers, Carsten] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Schimming, Sarah M.; Sievers, Carsten] Georgia Inst Technol, Renewable Bioprod Inst, Atlanta, GA 30332 USA.
[LaMont, Onaje D.; D'Amico, Andrew D.] Micromerit Instrument Corp, Norcross, GA 30093 USA.
[Rogers, Allyson K.; Yung, Matthew M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Sievers, C (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA.
EM carsten.sievers@chbe.gatech.edu
OI Foo, Guo Shiou/0000-0003-0807-5878
FU Renewable Bioproducts Institute at the Georgia Institute of Technology;
International Paper; NewPage Corporation
FX The authors would like to thank Allison R. Rogers for XRD measurements
and Jessica Ewbank and Tiorra Ross for experimental help. Financial
assistance from the Renewable Bioproducts Institute at the Georgia
Institute of Technology, International Paper, and NewPage Corporation is
gratefully acknowledged. Jose Rodriguez is acknowledged for a helpful
discussion.
NR 77
TC 12
Z9 12
U1 15
U2 59
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9517
EI 1090-2694
J9 J CATAL
JI J. Catal.
PD SEP
PY 2015
VL 329
BP 335
EP 347
DI 10.1016/j.jcat.2015.05.027
PG 13
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA CR3RM
UT WOS:000361250800032
ER
PT J
AU Chen, HY
Wei, ZH
Kollar, M
Gao, F
Wang, YL
Szanyi, J
Peden, CHF
AF Chen, Hai-Ying
Wei, Zhehao
Kollar, Marton
Gao, Feng
Wang, Yilin
Szanyi, Janos
Peden, Charles H. F.
TI A comparative study of N2O formation during the selective catalytic
reduction of NOx with NH3 on zeolite supported Cu catalysts
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Selective catalytic reduction of NOx; Zeolite supported Cu catalysts;
Surface nitrate groups; N2O formation mechanisms; NH4NO3 decomposition;
Pore restriction effect in zeolites
ID IN-SITU DRIFTS; SCR CATALYSTS; CU-SSZ-13 CATALYST; AMMONIUM-NITRATE;
NH3-SCR REACTION; HIGH-TEMPERATURE; NITROGEN-OXIDES; NITRIC-OXIDE;
DEALUMINATION; FTIR
AB A comparative study was carried out on a small-pore Cu-CHA and a large-pore Cu-BEA zeolite catalyst to understand the lower N2O formation on small-pore zeolite supported Cu catalysts in the selective catalytic reduction (SCR) of NOx with NH3. On both catalysts, the N2O yield increases with an increase in the NO2/NOx ratios of the feed gas, suggesting N2O formation via the decomposition of NH4NO3. Temperature-programmed desorption experiments reveal that NH4NO3 is more stable on Cu-CHA than on Cu-BEA. In situ FTIR spectra following stepwise (NO2 + O-2) and ((NO)-N-15 + NH3 + O-2) adsorption and reaction, and product distribution analysis using isotope-labeled reactants, unambiguously prove that surface nitrate groups are essential for the formation of NH4NO3. Furthermore, Cu-CHA is shown to be considerably less active than Cu-BEA in catalyzing NO oxidation and the subsequent formation of surface nitrate groups. Both factors, i.e., (1) the higher thermal stability of NH4NO3 on Cu-CHA, and (2) the lower activity for this catalyst to catalyze NO oxidation and the subsequent formation of surface nitrates, likely contribute to the higher SCR selectivity with less N2O formation on this catalyst as compared to Cu-BEA. The latter is determined as the primary reason since surface nitrates are the source that leads to the formation of NH4NO3 on the catalysts. (C) 2015 Elsevier Inc. All rights reserved. Agreements signed 2015.
C1 [Chen, Hai-Ying] Johnson Matthey Inc, Emiss Control Technol, Wayne, PA 19087 USA.
[Wei, Zhehao; Kollar, Marton; Gao, Feng; Wang, Yilin; Szanyi, Janos; Peden, Charles H. F.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Chen, HY (reprint author), Johnson Matthey Inc, Emiss Control Technol, Wayne, PA 19087 USA.
EM chenh@jmsua.com; chuck.peden@pnnl.gov
RI Wei, Zhehao/L-2801-2013
OI Wei, Zhehao/0000-0002-9670-4752
FU PNNL; US Department of Energy (DOE), Energy Efficiency and Renewable
Energy, Vehicle Technologies Office; DOE's Office of Biological and
Environmental Research
FX HYC is grateful to Johnson Matthey for the support of this collaboration
work and to PNNL for an Alternate Sponsored Fellowship. The authors at
PNNL gratefully acknowledge the US Department of Energy (DOE), Energy
Efficiency and Renewable Energy, Vehicle Technologies Office for the
support of this work. The research described in this paper was performed
at the Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the DOE's Office of Biological and
Environmental Research and located at Pacific Northwest National
Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.
NR 43
TC 9
Z9 10
U1 17
U2 98
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9517
EI 1090-2694
J9 J CATAL
JI J. Catal.
PD SEP
PY 2015
VL 329
BP 490
EP 498
DI 10.1016/j.jcat.2015.06.016
PG 9
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA CR3RM
UT WOS:000361250800047
ER
PT J
AU Saha, D
Nelson, K
Chen, JH
Lu, Y
Ozcan, S
AF Saha, Dipendu
Nelson, Karl
Chen, Jihua
Lu, Yuan
Ozcan, Soydan
TI Adsorption of CO2, CH4, and N-2 in Micro-Mesoporous Nanographene: A
Comparative Study
SO JOURNAL OF CHEMICAL AND ENGINEERING DATA
LA English
DT Article
ID PRESSURE SWING ADSORPTION; CARBON-DIOXIDE SEPARATION; BINARY-MIXTURE
ADSORPTION; SIO2/AL2O3 RATIO; ACTIVATED CARBON; GRAPHENE SHEETS;
NATURAL-GAS; FLUE-GAS; METHANE; NITROGEN
AB In this work, we have measured the adsorption isotherms and calculated the equilibrium selectivity for CO2, CH4, and N-2 on micro-mesoporous nanographene at three temperatures of 298 K, 278 K, and 263 K and pressures up to 760 Torr. The nanographene sample possesses a particle size range of 50 rim to 250 nm along with a Brunauer-Emmett-Teller (BET) specific surface area of 514 m(2)/g and total pore volume of 3 cm(3)/g. The pore widths varied from 3.5 angstrom to 8 angstrom in the microporous region and very large distributed widths within 45 A to 250 A in the region of mesoporosity. The calculated equilibrium selectivity of gas separation at 298 K by pressure swing adsorption for CO2/N-2, CO2/CH4, and CH4/N-2 are 55, 8.2, and 6.5, respectively, whereas the adsorption selection parameters for same pair of gases are 540, 101, and 117, respectively. To compare the equilibrium selectivity values with other adsorbents, we have measured the gas adsorption isotherms for CO2, CH4, and N-2 on Maxsorb (a commercial activated carbon with BET surface area 3200 m(2)/g) and calculated the selectivity values for several adsorbents based on their adsorption isotherms reported in the literature. We have found that equilibrium selectivity for all the gas pairs are higher for graphene compared to Maxsorb. We also found that the equilibrium selectivity for CO2/N-2 for graphene is higher than all the carbon-based materials reported so far. The equilibrium selectivity for CO2/CH4 and CH4/N-2 in graphene is also higher than the majority of the adsorbents reported in the literature. Our findings suggest that graphene can serve as a potential adsorbent for gas separation purposes.
C1 [Saha, Dipendu; Nelson, Karl] Widener Univ, Dept Chem Engn, Chester, PA 19013 USA.
[Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Lu, Yuan; Ozcan, Soydan] Oak Ridge Natl Lab, Carbon & Composites Grp, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Saha, D (reprint author), Widener Univ, Dept Chem Engn, One Univ Pl, Chester, PA 19013 USA.
EM dsaha@mail.widener.edu
RI Chen, Jihua/F-1417-2011
OI Chen, Jihua/0000-0001-6879-5936
FU School of Engineering of Widener University; American Chemical Society
[54205-UNI10]; Laboratory Directed Research and Development Program of
ORNL; U.S. Department of Energy [DE-AC05-00OR22725]
FX D.S. acknowledges the faculty development award (2014-2015) and provost
grant (2014-2015) from School of Engineering of Widener University. Part
of the work is supported by American Chemical Society sponsored
Petroleum Research Fund (54205-UNI10). TEM and EELS (J.C.) experiments
were conducted at the Center for Nanophase Materials Sciences, Oak Ridge
National Laboratory, which is a DOE Office of Science User Facility.
X-ray photoelectron spectroscopy measurements (Y.L.) were conducted at
ORNL, research was partially sponsored by the Laboratory Directed
Research and Development Program of ORNL, managed by UT-Battelle, LLC,
for the U.S. Department of Energy. Part of this manuscript has been
authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with
the U.S. Department of Energy.
NR 36
TC 2
Z9 2
U1 7
U2 35
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0021-9568
J9 J CHEM ENG DATA
JI J. Chem. Eng. Data
PD SEP
PY 2015
VL 60
IS 9
BP 2636
EP 2645
DI 10.1021/acs.jced.5b00291
PG 10
WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical
SC Thermodynamics; Chemistry; Engineering
GA CR3SN
UT WOS:000361253500013
ER
PT J
AU Nakayasu, ES
Sydor, MA
Brown, RN
Sontag, RL
Sobreira, TJP
Slysz, GW
Humphrys, DR
Skarina, T
Onoprienko, O
Di Leo, R
Kaiser, BLD
Li, J
Ansong, C
Cambronne, ED
Smith, RD
Saychenko, A
Adkins, JN
AF Nakayasu, Ernesto S.
Sydor, Michael A.
Brown, Roslyn N.
Sontag, Ryan L.
Sobreira, Tiago J. P.
Slysz, Gordon W.
Humphrys, Daniel R.
Skarina, Tatiana
Onoprienko, Olena
Di Leo, Rosa
Kaiser, Brooke L. Deatherage
Li, Jie
Ansong, Charles
Cambronne, Eric D.
Smith, Richard D.
Saychenko, Alexei
Adkins, Joshua N.
TI Identification of Salmonella Typhimurium Deubiquitinase SseL Substrates
by Immunoaffinity Enrichment and Quantitative Proteomic Analysis
SO JOURNAL OF PROTEOME RESEARCH
LA English
DT Article
DE Ubiquitination; deubiquitinase; post-translational modification;
substrate identification; mass spectrometry
ID TANDEM MASS-SPECTRA; PROTEIN UBIQUITINATION; REVEALS; QUANTIFICATION;
DEGRADATION; VIRULENCE; DELETION; ENZYMES; ROLES
AB Ubiquitination is a key protein post-translational modification that regulates many important cellular pathways and whose levels are regulated by equilibrium between the activities of ubiquitin ligases and deubiquitinases. Here, we present a method to identify specific deubiquitinase substrates based on treatment of cell lysates with recombinant enzymes, immunoaffinity purification, and global quantitative proteomic analysis. As a model system to identify substrates, we used a virulence-related deubiquitinase, SseL, secreted by Salmonella enterica serovar Typhimurium into host cells. Using this approach, two SseL substrates were identified in the RAW 264.7 murine macrophage-like cell line, S100A6 and heterogeneous nuclear ribonuclear protein K, in addition to the previously reported K63-linked ubiquitin chains. These substrates were further validated by a combination of enzymatic and binding assays. This method can be used for the systematic identification of substrates of deubiquitinases from other organisms and applied to study their functions in physiology and disease.
C1 [Nakayasu, Ernesto S.; Sydor, Michael A.; Brown, Roslyn N.; Sontag, Ryan L.; Slysz, Gordon W.; Humphrys, Daniel R.; Kaiser, Brooke L. Deatherage; Ansong, Charles; Smith, Richard D.; Adkins, Joshua N.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Sobreira, Tiago J. P.] Natl Ctr Res Energy & Mat, Natl Lab Biosci LNBio, BR-13083970 Campinas, SP, Brazil.
[Skarina, Tatiana; Onoprienko, Olena; Di Leo, Rosa; Saychenko, Alexei] Univ Toronto, Midwest Ctr Struct Genom, Dept Chem Engn & Appl Chem, Banting & Best Dept Med Res, Toronto, ON M5G 1L6, Canada.
[Li, Jie; Cambronne, Eric D.] Oregon Hlth & Sci Univ, Dept Mol Microbiol & Immunol, Portland, OR 97239 USA.
RP Adkins, JN (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
EM Joshua.Adkins@pnnl.gov
RI Smith, Richard/J-3664-2012; Sobreira, Tiago/C-1276-2008
OI Smith, Richard/0000-0002-2381-2349; Sobreira, Tiago/0000-0002-0217-0084
FU National Institutes of Health [GM094585, GM094623, P41 GM103493-10]; DOE
[DE-AC05-76RLO 1830]
FX This research was funded in part by grants from the National Institutes
of Health, GM094585, GM094623, and P41 GM103493-10. Work was partially
performed in the Environmental Molecular Sciences Laboratory (EMSL), a
DOE-BER national scientific user facility at Pacific Northwest National
Laboratory (PNNL). PNNL is a multiprogram national laboratory operated
by Battelle Memorial Institute for the DOE under contract no.
DE-AC05-76RLO 1830. The authors thank Drs. John Cort, Matt Monroe, and
Vamsi Kodali from Pacific Northwest National Laboratory and George
Niemann and Fred Heffron from Oregon Health & Science University for
their constructive comments, input, and suggestions.
NR 37
TC 1
Z9 1
U1 1
U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1535-3893
EI 1535-3907
J9 J PROTEOME RES
JI J. Proteome Res.
PD SEP
PY 2015
VL 14
IS 9
BP 4029
EP 4038
DI 10.1021/acs.jproteome.5b00574
PG 10
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA CR1LU
UT WOS:000361087100055
PM 26147956
ER
PT J
AU Li, CY
Ward, AL
Doris, SE
Pascal, TA
Prendergast, D
Helms, BA
AF Li, Changyi
Ward, Ashleigh L.
Doris, Sean E.
Pascal, Tod A.
Prendergast, David
Helms, Brett A.
TI Polysulfide-Blocking Microporous Polymer Membrane Tailored for Hybrid
Li-Sulfur Flow Batteries
SO NANO LETTERS
LA English
DT Article
DE Polymers of intrinsic microporosity; ion-selective membrane;
size-selective membrane; electrochemical energy storage; redox flow
battery; lithium-sulfur battery
ID GAS SEPARATION MEMBRANES; HIGH-ENERGY-DENSITY; FREE-VOLUME DISTRIBUTION;
INTRINSIC MICROPOROSITY; S BATTERIES; PHOTOVOLTAIC SYSTEMS; SOLVATE
STRUCTURES; PEPTIDE NANOTUBES; GRAPHENE OXIDE; LITHIUM
AB Redox flow batteries (RFBs) present unique opportunities for multi-hour electrochemical energy storage (EES) at low cost. Too often, the barrier for implementing them in large-scale EES is the unfettered migration of redox active species across the membrane, which shortens battery life and reduces Coulombic efficiency. To advance RFBs for reliable EES, a new paradigm for controlling membrane transport selectivity is needed. We show here that size- and ion-selective transport can be achieved using membranes fabricated from polymers of intrinsic microporosity (PIMs). As a proof-of-concept demonstration, a first-generation PIM membrane dramatically reduced polysulfide crossover (and shuttling at the anode) in lithium sulfur batteries, even when sulfur cathodes were prepared as flowable energy-dense fluids. The design of our membrane platform was informed by molecular dynamics simulations of the solvated structures of lithium bis(trifluoromethanesulfonypimide (LiTFSI) vs lithiated polysulfides (Li2Sx, where x = 8, 6, and 4) in glyme-based electrolytes of different oligomer length. These simulations suggested polymer films with pore dimensions less than 1.2-1.7 nm might incur the desired ion-selectivity. Indeed, the polysulfide blocking ability of the PIM-1 membrane (similar to 0.8 nm pores) was improved 500-fold over mesoporous Celgard separators (similar to 17 nm pores). As a result, significantly improved battery performance was demonstrated, even in the absence of LiNO3 anode-protecting additives.
C1 [Li, Changyi; Ward, Ashleigh L.; Doris, Sean E.; Helms, Brett A.] Joint Ctr Energy Storage Res, Berkeley, CA 94720 USA.
[Li, Changyi; Ward, Ashleigh L.; Doris, Sean E.; Pascal, Tod A.; Prendergast, David; Helms, Brett A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Li, Changyi] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Doris, Sean E.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
RP Helms, BA (reprint author), Joint Ctr Energy Storage Res, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM bahelms@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; Department of Defense through the National Defense Science &
Engineering Graduate Fellowship program; Batteries for Advanced
Transportation Technologies program, [DE-AC02-05CH11231]; Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of
Energy
FX We thank D. Sun for assistance with nitrogen adsorption experiments, A.
Bondaz for assistance with ellipsometric porosimetry. E. Wong, S.
Ferreira, P. Chavez, B. Smith, and D. Li for electrode fabrication, and
P. Frischmann and L. C. H. Gerber for helpful discussions. C.L., A.L.W.,
and B.A.H. were supported by the Joint Center for Energy Storage
Research, an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences. S.E.D. was
supported by the Department of Defense through the National Defense
Science & Engineering Graduate Fellowship program. D.P. and T.A.P.
acknowledge support from the Batteries for Advanced Transportation
Technologies program, administered by the Assistant Secretary for Energy
Efficiency and Renewable Energy, Office of Vehicle Technologies of the
U.S. Department of Energy under Contract DE-AC02-05CH11231. Portions of
the work, including polymer synthesis and characterization, molecular
dynamics simulations, polymer processing, membrane crossover
experiments, and Li S battery performance, were carried out as User
Projects at the Molecular Foundry, which is supported by the Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. The computational portion
of this work used resources of the National Energy Research Scientific
Computing Center, a DOE Office of Science User Facility supported by the
Office of Science of the U.S. Department of Energy under the same
contract.
NR 74
TC 19
Z9 19
U1 32
U2 239
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 5724
EP 5729
DI 10.1021/acs.nanolett.5b02078
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700009
PM 26237233
ER
PT J
AU He, K
Lin, F
Zhu, YZ
Yu, XQ
Li, J
Lin, RQ
Nordlund, D
Weng, TC
Richards, RM
Yang, XQ
Doeff, MM
Stach, EA
Mo, YF
Xin, HL
Su, D
AF He, Kai
Lin, Feng
Zhu, Yizhou
Yu, Xiqan
Li, Jing
Lin, Ruoqian
Nordlund, Dennis
Weng, Tsu-Chien
Richards, Ryan M.
Yang, Xiao-Qing
Doeff, Marca M.
Stach, Eric A.
Mo, Yifei
Xin, Huolin L.
Su, Dong
TI Sodiation Kinetics of Metal Oxide Conversion Electrodes: A Comparative
Study with Lithiation
SO NANO LETTERS
LA English
DT Article
DE Sodiation; kinetics; nickel oxides; reaction pathways; conversion
electrodes; in situ TEM
ID SODIUM-ION BATTERIES; IN-SITU OBSERVATION; ELECTROCHEMICAL LITHIATION;
RECHARGEABLE BATTERIES; NEGATIVE-ELECTRODE; CARBON NANOFIBERS;
ENERGY-STORAGE; LITHIUM; MICROSCOPY; NANOWIRES
AB The development of sodium ion batteries (NIBs) can provide an alternative to lithium ion batteries (LIBs) for sustainable, low-cost energy storage. However, due to the larger size and higher m/e ratio of the sodium ion compared to lithium, sodiation reactions of candidate electrodes are expected to differ in significant ways from the corresponding lithium ones. In this work, we investigated the sodiation mechanism of a typical transition metal-oxide, NiO, through a set of correlated techniques, including electrochemical and synchrotron studies, real-time electron microscopy observation, and ab initio molecular dynamics (MD) simulations. We found that a crystalline Na2O reaction layer that was formed at the beginning of sodiation plays an important role in blocking the further transport of sodium ions. In addition, sodiation in NiO exhibits a "shrinking-core" mode that results from a layer-by-layer reaction, as identified by ab initio MD simulations. For lithiation, however, the formation of Li antisite defects significantly distorts the local NiO lattice that facilitates Li insertion, thus enhancing the overall reaction rate. These observations delineate the mechanistic difference between sodiation and lithiation in metal-oxide conversion materials. More importantly, our findings identify the importance of understanding the role of reaction layers on the functioning of electrodes and thus provide critical insights into further optimizing NIB materials through surface engineering.
C1 [He, Kai; Li, Jing; Lin, Ruoqian; Stach, Eric A.; Xin, Huolin L.; Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Lin, Feng; Doeff, Marca M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA.
[Zhu, Yizhou; Mo, Yifei] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Yu, Xiqan; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Nordlund, Dennis; Weng, Tsu-Chien] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA.
[Richards, Ryan M.] Colorado Sch Mines, Mat Sci Program, Dept Chem & Geochem, Golden, CO 80401 USA.
RP Mo, YF (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
EM yfmo@umd.edu; hxin@bnl.gov; dsu@bnl.gov
RI Stach, Eric/D-8545-2011; Richards, Ryan/B-3513-2008; He,
Kai/B-9535-2011; Su, Dong/A-8233-2013; Xin, Huolin/E-2747-2010;
Nordlund, Dennis/A-8902-2008; Yu, Xiqian/B-5574-2014; Mo,
Yifei/F-5671-2011
OI Stach, Eric/0000-0002-3366-2153; Doeff, Marca/0000-0002-2148-8047; He,
Kai/0000-0003-4666-1800; Su, Dong/0000-0002-1921-6683; Xin,
Huolin/0000-0002-6521-868X; Nordlund, Dennis/0000-0001-9524-6908; Yu,
Xiqian/0000-0001-8513-518X; Mo, Yifei/0000-0002-8162-4629
FU U.S. DOE Office of Science Facility, at Brookhaven National Laboratory
[DE-SC0012704]; Energy Efficiency and Renewable Energy, Office of
Vehicle Technologies of the U.S. DOE under the Batteries for Advanced
Transportation Technologies (BATT) Program [AC02-05CH11231]; U.S. DOE
[DE-AC02-76SF00515]; U.S. DOE; Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies [DE-SC00112704];
Minta Martin award at the University of Maryland; National Science
Foundation [TG-DMR130142]; University of Maryland
FX The authors thank Prof. Ju Li and Prof. Andrew Rappe for helpful
discussions, and thank Dr. Woodhead for proofreading. This research used
resources of the Center for Functional Nanomaterials, which is a U.S.
DOE Office of Science Facility, at Brookhaven National Laboratory under
Contract No. DE-SC0012704. F.L. and M.M.D. were supported by the
Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. DOE under Contract No.
DE-AC02-05CH11231 under the Batteries for Advanced Transportation
Technologies (BATT) Program. The synchrotron X-ray work carried out at
the Stanford Synchrotron Radiation Lightsource, SLAC National
Accelerator Laboratory, was supported by the U.S. DOE under Contract No.
DE-AC02-76SF00515. X.Y. and X.-Q.Y. were supported by the U.S. DOE, the
Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies under Contract No. DE-SC00112704. Y.Z. and Y.M.
acknowledge the support of the Minta Martin award at the University of
Maryland, and the computational resources from the Extreme Science and
Engineering Discovery Environment (XSEDE) supported by National Science
Foundation Grant No. TG-DMR130142 and from the University of Maryland
supercomputing resources.
NR 34
TC 19
Z9 19
U1 21
U2 147
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 5755
EP 5763
DI 10.1021/acs.nanolett.5b01709
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700014
PM 26288360
ER
PT J
AU Vo, TH
Perera, UGE
Shekhirev, M
Pour, MM
Kunkel, DA
Lu, HD
Gruverman, A
Sutter, E
Cotlet, M
Nykypanchuk, D
Zahl, P
Enders, A
Sinitskii, A
Sutter, P
AF Vo, Timothy H.
Perera, U. Gayani E.
Shekhirev, Mikhail
Pour, Mohammad Mehdi
Kunkel, Donna A.
Lu, Haidong
Gruverman, Alexei
Sutter, Eli
Cotlet, Mircea
Nykypanchuk, Dmytro
Zahl, Percy
Enders, Axel
Sinitskii, Alexander
Sutter, Peter
TI Nitrogen-Doping Induced Self-Assembly of Graphene Nanoribbon-Based
Two-Dimensional and Three-Dimensional Metamaterials
SO NANO LETTERS
LA English
DT Article
DE Graphene; nanoribbons; metamaterials; doping; self-assembly
ID BAND-GAP; CRYSTALS; SUPERLATTICES; NANOPARTICLES; NANOCRYSTALS; SHEETS;
STATE; EDGE
AB Narrow graphene nanoribbons (GNRs) constructed by atomically precise bottom-up synthesis from molecular precursors have attracted significant interest as promising materials for nanoelectronics. But there has been little awareness of the potential of GNRs to serve as nanoscale building blocks of novel materials. Here we show that the substitutional doping with nitrogen atoms can trigger the hierarchical self-assembly of GNRs into ordered metamaterials. We use GNRs doped with eight N atoms per unit cell and their undoped analogues, synthesized using both surface-assisted and solution approaches, to study this self-assembly on a support and in an unrestricted three-dimensional (3D) solution environment. On a surface, N-doping mediates the formation of hydrogen-bonded GNR sheets. In solution, sheets of side-by-side coordinated GNRs can in turn assemble via van der Waals and pi-stacking interactions into 3D stacks, a process that ultimately produces macroscopic crystalline structures. The optoelectronic properties of these semiconducting GNR crystals are determined entirely by those of the individual nanoscale constituents, which are tunable by varying their width, edge orientation, termination, and so forth. The atomically precise bottom-up synthesis of bulk quantities of basic nanoribbon units and their subsequent self-assembly into crystalline structures suggests that the rapidly developing toolset of organic and polymer chemistry can be harnessed to realize families of novel carbon-based materials with engineered properties.
C1 [Vo, Timothy H.; Shekhirev, Mikhail; Pour, Mohammad Mehdi; Sinitskii, Alexander] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA.
[Perera, U. Gayani E.; Sutter, Eli; Cotlet, Mircea; Nykypanchuk, Dmytro; Zahl, Percy; Sutter, Peter] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Kunkel, Donna A.; Lu, Haidong; Gruverman, Alexei; Enders, Axel] Univ Nebraska, Dept Phys, Lincoln, NE 68588 USA.
[Gruverman, Alexei; Enders, Axel; Sinitskii, Alexander] Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA.
[Sutter, Eli] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA.
[Sutter, Peter] Univ Nebraska, Dept Elect & Comp Engn, Lincoln, NE 68588 USA.
RP Sinitskii, A (reprint author), Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA.
EM sinitskii@unl.edu; psutter@bnl.gov
RI Sinitskii, Alexander/J-6619-2015
OI Sinitskii, Alexander/0000-0002-8688-3451
FU National Science Foundation (NSF) [CHE-1455330]; NSF through the
Nebraska Materials Research Science and Engineering Center (MRSEC)
[DMR-1420645]; U.S. DOE Office of Science Facility, at Brookhaven
National Laboratory [DE-SC0012704]
FX The research on GNR synthesis was supported by the National Science
Foundation (NSF) through Grant CHE-1455330. Characterization of
solution-synthesized GNRs by scanning probe microscopy was supported by
the NSF through the Nebraska Materials Research Science and Engineering
Center (MRSEC, DMR-1420645). This research used resources of the Center
for Functional Nanomaterials, which is a U.S. DOE Office of Science
Facility, at Brookhaven National Laboratory under Contract No.
DE-SC0012704.
NR 48
TC 8
Z9 8
U1 23
U2 132
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 5770
EP 5777
DI 10.1021/acs.nanolett.5b01723
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700016
PM 26258628
ER
PT J
AU Li, B
Shi, G
Lei, SD
He, YM
Gao, WL
Gong, YJ
Ye, GL
Zhou, W
Keyshar, K
Hao, J
Dong, P
Ge, LH
Lou, J
Kono, J
Vajtai, R
Ajayan, PM
AF Li, Bo
Shi, Gang
Lei, Sidong
He, Yongmin
Gao, Weilu
Gong, Yongji
Ye, Gonglan
Zhou, Wu
Keyshar, Kunttal
Hao, Ji
Dong, Pei
Ge, Liehui
Lou, Jun
Kono, Junichiro
Vajtai, Robert
Ajayan, Pulickel M.
TI 3D Band Diagram and Photoexcitation of 2D-3D Semiconductor
Heterojunctions
SO NANO LETTERS
LA English
DT Article
DE MoS2-Si heterojunction; band diagram; exciton relaxation; charge
generation
ID FIELD-EFFECT TRANSISTORS; SINGLE-LAYER MOS2; P-N-JUNCTIONS;
2-DIMENSIONAL MATERIALS; MONOLAYER MOS2; ATOMIC LAYERS; SOLAR-CELLS;
HETEROSTRUCTURES; GRAPHENE; PHOTODETECTORS
AB The emergence of a rich variety of two-dimensional (2D) layered semiconductor materials has enabled the creation of atomically thin heterojunction devices. Junctions between atomically thin 2D layers and 3D bulk semiconductors can lead to junctions that are fundamentally electronically different from the covalently bonded conventional semiconductor junctions. Here we propose a new 3D band diagram for the heterojunction formed between n-type monolayer MoS2 and p-type Si, in which the conduction and valence band-edges of the MoS2 monolayer are drawn for both stacked and in-plane directions. This new band diagram helps visualize the flow of charge carriers inside the device in a 3D manner. Our detailed wavelength-dependent photocurrent measurements fully support the diagrams and unambiguously show that the band alignment is type I for this 2D-3D heterojunction. Photogenerated electron hole pairs in the atomically thin monolayer are separated and driven by an external bias and control the "on/off" states of the junction photodetector device. Two photoresponse regimes with fast and slow relaxation are also revealed in time-resolved photocurrent measurements, suggesting the important role played by charge trap states.
C1 [Li, Bo; Shi, Gang; Lei, Sidong; He, Yongmin; Ye, Gonglan; Keyshar, Kunttal; Dong, Pei; Ge, Liehui; Lou, Jun; Kono, Junichiro; Vajtai, Robert; Ajayan, Pulickel M.] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
[Gao, Weilu; Kono, Junichiro] Rice Univ, Dept Elect & Comp Engn, Houston, TX 77005 USA.
[Gao, Weilu; Kono, Junichiro] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.
[Gong, Yongji] Rice Univ, Dept Chem, Houston, TX 77005 USA.
[He, Yongmin] Lanzhou Univ, Sch Phys Sci & Technol, Lanzhou 730000, Gansu, Peoples R China.
[Zhou, Wu] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Hao, Ji] Northeastern Univ, Dept Mech & Ind Engn, Boston, MA 02115 USA.
RP Kono, J (reprint author), Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
EM kono@rice.edu; robert.vajtai@rice.edu; ajayan@rice.edu
RI Ge, Liehui/N-7881-2015; Zhou, Wu/D-8526-2011; Lei, Sidong/A-8600-2016;
Dong, Pei/G-4405-2012; Gong, Yongji/L-7628-2016; Gao, Weilu/O-7521-2016
OI Ge, Liehui/0000-0002-1990-5681; Zhou, Wu/0000-0002-6803-1095; Lei,
Sidong/0000-0001-9129-2202;
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division; ORNL's Center for Nanophase
Materials Sciences (CNMS), a DOE Office of Science User Facility
FX We thank Ali Sobhani, Naomi Halas, Gary Woods, and Alexey Belyanin for
helpful discussions. W.Z. acknowledges support from the U.S. Department
of Energy, Office of Science, Basic Energy Sciences, Materials Sciences
and Engineering Division, and a user project at ORNL's Center for
Nanophase Materials Sciences (CNMS), which is a DOE Office of Science
User Facility.
NR 39
TC 6
Z9 6
U1 9
U2 95
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 5919
EP 5925
DI 10.1021/acs.nanolett.5b02012
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700039
PM 26280193
ER
PT J
AU Robertson, AW
Lee, GD
He, K
Fan, Y
Allen, CS
Lee, S
Kim, H
Yoon, E
Zheng, HM
Kirkland, AI
Warner, JH
AF Robertson, Alex W.
Lee, Gun-Do
He, Kuang
Fan, Ye
Allen, Christopher S.
Lee, Sungwoo
Kim, Heeyeon
Yoon, Euijoon
Zheng, Haimei
Kirkland, Angus I.
Warner, Jamie H.
TI Partial Dislocations in Graphene and Their Atomic Level Migration
Dynamics
SO NANO LETTERS
LA English
DT Article
DE Graphene; TEM; dislocations; defects
ID BORON-NITRIDE; SILICON
AB We demonstrate the formation of partial dislocations in graphene at elevated temperatures of >= 500 degrees C with single atom resolution aberration corrected transmission electron microscopy. The partial dislocations spatially redistribute strain in the lattice, providing an energetically more favorable configuration to the perfect dislocation. Low-energy migration paths mediated by partial dislocation formation have been observed, providing insights into the atomistic dynamics of graphene during annealing. These results are important for understanding the high temperature plasticity of graphene and partial dislocation behavior in related crystal systems, such as diamond cubic materials.
C1 [Robertson, Alex W.; He, Kuang; Fan, Ye; Allen, Christopher S.; Kirkland, Angus I.; Warner, Jamie H.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England.
[Lee, Gun-Do; Lee, Sungwoo; Yoon, Euijoon] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul, South Korea.
[Kim, Heeyeon] Korean Inst Energy Res, Energy Mat Lab, Taejon 305343, South Korea.
[Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Robertson, AW (reprint author), Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England.
EM alex.robertson2@materials.ox.ac.uk; jamie.warner@materials.ox.ac.uk
RI Robertson, Alex/J-5321-2014; Lee, Gun-Do/L-1259-2013; Lee,
Sungwoo/B-8638-2015;
OI Robertson, Alex/0000-0002-9521-6482; Lee, Gun-Do/0000-0001-8328-8625;
Lee, Sungwoo/0000-0002-1470-3466; Allen, Christopher/0000-0002-6353-6000
FU Royal Society; Balliol College, Oxford; EPSRC [EP/F048009/1,
EP/K032518/1, EP/H001972/1, EP/F028784/1]; Supercomputing Center/Korea
Institute of Science and Technology Information [KSC-2014-C3-009]; BK21
plus program; National Research Foundation of Korea (NRF) - Korea
government (RIAM) [2010-0012670]
FX J.H.W. expresses thanks for the support from the Royal Society and
Balliol College, Oxford. A.W.R. has been supported by EPSRC (Platform
Grants EP/F048009/1 and EP/K032518/1). Financial support from EPSRC
(Grants EP/H001972/1 and EP/F028784/1) is acknowledged. G.-D.L. and E.Y.
acknowledge support from the Supercomputing Center/Korea Institute of
Science and Technology Information with supercomputing resources
(KSC-2014-C3-009), from the BK21 plus program, and from the National
Research Foundation of Korea (NRF) grant funded by the Korea government
(RIAM No. 2010-0012670).
NR 31
TC 7
Z9 7
U1 8
U2 39
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 5950
EP 5955
DI 10.1021/acs.nanolett.5b02080
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700044
PM 26313338
ER
PT J
AU Zheng, JX
Hou, YY
Duan, YD
Song, XH
Wei, Y
Liu, TC
Hu, JT
Guo, H
Zhuo, ZQ
Liu, LL
Chang, Z
Wang, XW
Zherebetskyy, D
Fang, YY
Lin, Y
Xu, K
Wang, LW
Wu, YP
Pan, F
AF Zheng, Jiaxin
Hou, Yuyang
Duan, Yandong
Song, Xiaohe
Wei, Yi
Liu, Tongchao
Hu, Jiangtao
Guo, Hua
Zhuo, Zengqing
Liu, Lili
Chang, Zheng
Wang, Xiaowei
Zherebetskyy, Danylo
Fang, Yanyan
Lin, Yuan
Xu, Kang
Wang, Lin-Wang
Wu, Yuping
Pan, Feng
TI Janus Solid-Liquid Interface Enabling Ultrahigh Charging and Discharging
Rate for Advanced Lithium-Ion Batteries
SO NANO LETTERS
LA English
DT Article
DE LiFePO4; rate performance; aqueous electrolyte; organic electrolyte;
solid-liquid interface; ab initio calculations
ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE
METHOD; RECHARGEABLE BATTERIES; ELECTROLYTE-SOLUTIONS; LIFEPO4 CATHODES;
RATE CAPABILITY; PARTICLE-SIZE; BASIS-SET; STORAGE
AB LiFePO4 has long been held as one of the most promising battery cathode for its high energy storage capacity. Meanwhile, although extensive studies have been conducted on the interfacial chemistries in Li-ion batteries,(1-3) little is known on the atomic level about the solid-liquid interface of LiFePO4/electrolyte. Here, we report battery cathode consisted with nanosized LiFePO4 particles in aqueous electrolyte with an high charging and discharging rate of 600 C (3600/600 = 6 s charge time, 1 C = 170 mAh g(-)1) reaching 72 mAh g(-1) energy storage (42% of the theoretical capacity). By contrast, the accessible capacity sharply decreases to 20 mAh g(-1) at 200 C in organic electrolyte. After a comprehensive electrochemistry tests and ab initio calculations of the LiFePO4-H2O and LiFePO4-EC (ethylene carbonate) systems, we identified the transient formation of a Janus hydrated interface in the LiFePO4-H2O system, where the truncated symmetry of solid LiFePO4 surface is compensated by the chemisorbed H2O molecules, forming a half-solid (LiFePO4) and half-liquid (H2O) amphiphilic coordination environment that eases the Li desolvation process near the surface, which makes a fast Li-ion transport across the solid/liquid interfaces possible.
C1 [Zheng, Jiaxin; Song, Xiaohe; Wei, Yi; Liu, Tongchao; Hu, Jiangtao; Guo, Hua; Zhuo, Zengqing; Pan, Feng] Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China.
[Hou, Yuyang; Wu, Yuping] Nanjing Tech Univ, Coll Energy, Nanjing 211816, Jiangsu, Peoples R China.
[Hou, Yuyang; Liu, Lili; Chang, Zheng; Wang, Xiaowei; Wu, Yuping] Fudan Univ, Dept Chem, New Energy & Mat Lab, Shanghai 200433, Peoples R China.
[Hou, Yuyang; Liu, Lili; Chang, Zheng; Wang, Xiaowei; Wu, Yuping] Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Shanghai 200433, Peoples R China.
[Zherebetskyy, Danylo; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Fang, Yanyan; Lin, Yuan] Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Key Lab Photochem, Beijing 100190, Peoples R China.
[Xu, Kang] US Army, Res Lab, Electrochem Branch, Adelphi, MD 20783 USA.
RP Wu, YP (reprint author), Nanjing Tech Univ, Coll Energy, Nanjing 211816, Jiangsu, Peoples R China.
EM wuyp@fudan.edu.cn; panfeng@pkusz.edu.cn
RI Duan, Yandong/I-4206-2013; Wu, Yuping/H-1593-2011; lin, yuan/G-9390-2013
OI Wu, Yuping/0000-0002-0833-1205; lin, yuan/0000-0003-3410-3588
FU National Project for EV Batteries (OptimumNano, Shenzhen) [20121110];
National Distinguished Young Scientists of China [51425301]; STCSM
[12JC1401200]; Guangdong Innovation Team Project [2013N080]; Shenzhen
Science and Technology Research Grant [ZDSY20130331145131323,
CXZZ20120829172325895]; Office of Science (SC), Basic Energy Science
(BES)/Materials Science and Engineering Division (MSED) of the U.S.
Department of Energy (DOE) [DE-AC02-05CH11231]; ShenZhen National Super
Computing Center
FX The research was financially supported by National Project for EV
Batteries (20121110, OptimumNano, Shenzhen), National Distinguished
Young Scientists of China (51425301), STCSM (12JC1401200), Guangdong
Innovation Team Project (No. 2013N080), and Shenzhen Science and
Technology Research Grant (No. ZDSY20130331145131323 and
CXZZ20120829172325895). L.W.W. is supported through the Theory of
Material project by the Director, Office of Science (SC), Basic Energy
Science (BES)/Materials Science and Engineering Division (MSED) of the
U.S. Department of Energy (DOE) under the contract No.
DE-AC02-05CH11231. Additionally, we acknowledge the support of ShenZhen
National Super Computing Center.
NR 53
TC 12
Z9 12
U1 21
U2 138
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 6102
EP 6109
DI 10.1021/acs.nanolett.5b02379
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700068
PM 26305572
ER
PT J
AU Kuang, YD
Lindsay, L
Huang, BL
AF Kuang, Youdi
Lindsay, Lucas
Huang, Baoling
TI Unusual Enhancement in Intrinsic Thermal Conductivity of Multi layer
Graphene by Tensile Strains
SO NANO LETTERS
LA English
DT Article
DE Tensile strain; density functional tight binding; thermal conductivity;
multilayer graphene; phonon thermal transport
ID HEXAGONAL BORON-NITRIDE; PHONON-DISPERSION; LATTICE-DYNAMICS; AB-INITIO;
TRANSPORT; DEPOSITION; SCATTERING; GRAPHITE
AB Using the Boltzmann-Peierls equation for phonon transport approach with the inputs of interatomic force constants from the self-consistent charge density functional tight binding method, we calculate the room-temperature in-plane lattice thermal conductivities k of multilayer graphene (up to four layers) and graphite under different isotropic tensile strains. The calculated in-plane k of graphite, finite monolayer graphene and 3-layer graphene agree well with previous experiments. For unstrained graphene systems, both the intrinsic k and the extent of the diffusive transport regime present a drastic dimensional transition in going from monolayer to 2-layer graphene and thereafter a gradual transition to the graphite limit. We find a peak enhancement of intrinsic k for multilayer graphene and graphite with increasing strain with the largest enhancement amplitude similar to 40%. Competition between the decreased mode heat capacities and the increased lifetimes of flexural phonons with increasing strain contribute to this k behavior. Similar k behavior is observed for 2-layer hexagonal boron nitride systems. This study provides insights into engineering k of multilayer graphene and boron nitride by strain and into the nature of thermal transport in quasi-two-dimensional and highly anisotropic systems.
C1 [Kuang, Youdi] Shanghai Second Polytech Univ, Coll Engn, Shanghai, Peoples R China.
[Kuang, Youdi; Huang, Baoling] Hong Kong Univ Sci & Technol, Dept Mech & Aerosp Engn, Kowloon, Hong Kong, Peoples R China.
[Lindsay, Lucas] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Kuang, YD (reprint author), Shanghai Second Polytech Univ, Coll Engn, Shanghai, Peoples R China.
EM kuangzhang88@gmail.com
RI Lindsay, Lucas/C-9221-2012; Huang, Baoling/G-8685-2011
OI Lindsay, Lucas/0000-0001-9645-7993; Huang, Baoling/0000-0001-7507-5371
FU Hong Kong General Research Fund [623212, 613413]; U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division
FX We are thankful for the financial support from the Hong Kong General
Research Fund under Grant Nos. 623212 and 613413. L.L. acknowledges
support from the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, Materials Sciences and Engineering Division for
work done at ORNL.
NR 45
TC 14
Z9 14
U1 11
U2 82
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 6121
EP 6127
DI 10.1021/acs.nanolett.5b02403
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700071
PM 26241731
ER
PT J
AU Gong, YJ
Lei, SD
Ye, GL
Li, B
He, YM
Keyshar, K
Zhang, X
Wang, QZ
Lou, J
Liu, Z
Vajtai, R
Zhou, W
Ajayan, PM
AF Gong, Yongji
Lei, Sidong
Ye, Gonglan
Li, Bo
He, Yongmin
Keyshar, Kunttal
Zhang, Xiang
Wang, Qizhong
Lou, Jun
Liu, Zheng
Vajtai, Robert
Zhou, Wu
Ajayan, Pulickel M.
TI Two-Step Growth of Two-Dimensional WSe2/MoSe2 Heterostructures
SO NANO LETTERS
LA English
DT Article
DE 2D heterostructures; two-step growth; MoSe2; WSe2; CVD
ID HEXAGONAL BORON-NITRIDE; CHEMICAL-VAPOR-DEPOSITION; INPLANE
HETEROSTRUCTURES; MOLYBDENUM-DISULFIDE; SINGLE-LAYER; EPITAXIAL-GROWTH;
MONOLAYER WSE2; ATOMIC LAYERS; GRAPHENE; MOS2
AB Two dimensional (2D) materials have attracted great attention due to their unique properties and atomic thickness. Although various 2D materials have been successfully synthesized with different optical and electrical properties, a strategy for fabricating 2D heterostructures must be developed in order to construct more complicated devices for practical applications. Here we demonstrate for the first time a two-step chemical vapor deposition (CVD) method for growing transition-metal dichalcogenide (TMD) heterostructures, where MoSe2 was synthesized first and followed by an epitaxial growth of WSe2 on the edge and on the top surface of MoSe2. Compared to previously reported one-step growth methods, this two-step growth has the capability of spatial and size control of each 2D component, leading to much larger (up to 169 mu m) heterostructure size, and cross-contamination can be effectively minimized. Furthermore, this two-step growth produces well-defined 2H and 3R stacking in the WSe2/MoSe2 bilayer regions and much sharper in-plane interfaces than the previously reported MoSe2/WSe2 heterojunctions obtained from one-step growth methods. The resultant heterostructures with WSe2/MoSe2 bilayer and the exposed MoSe2 monolayer display rectification characteristics of a p-n junction, as revealed by optoelectronic tests, and an internal quantum efficiency of 91% when functioning as a photodetector. A photovoltaic effect without any external gates was observed, showing incident photon to converted electron (IPCE) efficiencies of approximately 0.12%, providing application potential in electronics and energy harvesting.
C1 [Gong, Yongji; Ajayan, Pulickel M.] Rice Univ, Dept Chem, Houston, TX 77005 USA.
[Gong, Yongji; Lei, Sidong; Ye, Gonglan; Li, Bo; He, Yongmin; Keyshar, Kunttal; Zhang, Xiang; Wang, Qizhong; Lou, Jun; Vajtai, Robert; Ajayan, Pulickel M.] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
[Liu, Zheng] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore.
[Zhou, Wu] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Zhou, W (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM wu.zhou.stem@gmail.com; ajayan@rice.edu
RI Zhou, Wu/D-8526-2011; Lei, Sidong/A-8600-2016; Gong, Yongji/L-7628-2016
OI Zhou, Wu/0000-0002-6803-1095; Lei, Sidong/0000-0001-9129-2202;
FU Army Research Office MURI [W911NF-11-1-0362]; FAME Center, one of six
centers of STARnet, a Semiconductor Research Corporation; MARCO; DARPA;
U.S. Department of Energy, Office of Science, Basic Energy Science,
Materials Sciences and Engineering Division; U.S. Office of Naval
Research MURI [N000014-09-1-1066]; ORNL's Center for Nanophase Materials
Sciences (CNMS), which is a DOE Office of Science User Facility; Air
Force Office of Scientific Research (AFOSR) [BAA-AFOSR-2013-0001]
FX This work was supported by the Army Research Office MURI Grant
W911NF-11-1-0362, the FAME Center, one of six centers of STARnet, a
Semiconductor Research Corporation program sponsored by MARCO and DARPA,
by the U.S. Department of Energy, Office of Science, Basic Energy
Science, Materials Sciences and Engineering Division (W.Z.), the U.S.
Office of Naval Research MURI Grant N000014-09-1-1066, and a user
project at ORNL's Center for Nanophase Materials Sciences (CNMS), which
is a DOE Office of Science User Facility. This work was also funded by
the Air Force Office of Scientific Research (AFOSR) Grant No.
BAA-AFOSR-2013-0001.
NR 35
TC 43
Z9 43
U1 68
U2 399
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 6135
EP 6141
DI 10.1021/acs.nanolett.5b02423
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700073
PM 26237631
ER
PT J
AU Zhu, ZH
Zhou, YF
Yan, PF
Vemuri, RS
Xu, W
Zhao, R
Wang, XL
Thevuthasan, S
Baer, DR
Wang, CM
AF Zhu, Zihua
Zhou, Yufan
Yan, Pengfei
Vemuri, Rama Sesha
Xu, Wu
Zhao, Rui
Wang, Xuelin
Thevuthasan, Suntharampillai
Baer, Donald R.
Wang, Chong-Min
TI In Situ Mass Spectrometric Determination of Molecular Structural
Evolution at the Solid Electrolyte Interphase in Lithium-Ion Batteries
SO NANO LETTERS
LA English
DT Article
DE In situ liquid SIMS; solid-liquid interface; molecular structural
evolution; lithium ion battery; SEI layers
ID GRAPHITE/ELECTROLYTE INTERFACE; NONAQUEOUS ELECTROLYTES; SOLVATION
SHEATH; TOF-SIMS; MICROSCOPY; GROWTH; LI+; VISUALIZATION; CHALLENGES;
DEPOSITION
AB Dynamic structural and chemical evolution at solid-liquid electrolyte interface is always a mystery for a rechargeable battery due to the challenge to directly probe a solid-liquid interface under reaction conditions. We describe the creation and usage of in situ liquid secondary ion mass spectroscopy (SIMS) for the first time to directly observe the molecular structural evolution at the solid-liquid electrolyte interface for a lithium (Li)-ion battery under dynamic operating conditions. We have discovered that the deposition of Li metal on copper electrode leads to the condensation of solvent molecules around the electrode. Chemically, this layer of solvent condensate tends to be depleted of the salt anions and with reduced concentration of Li+ ions, essentially leading to the formation of a lean electrolyte layer adjacent to the electrode and therefore contributing to the overpotential of the cell. This observation provides unprecedented molecular level dynamic information on the initial formation of the solid electrolyte interphase (SEI) layer. The present work also ultimately opens new avenues for implanting the in situ liquid SIN'S concept to probe the chemical reaction process that intimately involves solid-liquid interface, such as electrocatalysis, electrodeposition, biofuel conversion, biofilm, and biomineralization.
C1 [Zhu, Zihua; Zhou, Yufan; Yan, Pengfei; Vemuri, Rama Sesha; Zhao, Rui; Thevuthasan, Suntharampillai; Baer, Donald R.; Wang, Chong-Min] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Xu, Wu] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
[Xu, Wu; Wang, Chong-Min] Pacific NW Natl Lab, Joint Ctr Energy Storage Res, Richland, WA 99352 USA.
[Zhou, Yufan; Wang, Xuelin] Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Peoples R China.
[Zhou, Yufan; Wang, Xuelin] Shandong Univ, Key Lab Particle Phys & Particle Irradiat MOE, Jinan 250100, Peoples R China.
RP Zhu, ZH (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
EM Zihua.Zhu@pnnl.gov; Chongmin.Wang@pnnl.gov
RI yan, pengfei/E-4784-2016; Zhu, Zihua/K-7652-2012;
OI yan, pengfei/0000-0001-6387-7502; wang, xue-lin/0000-0001-5750-6035; Xu,
Wu/0000-0002-2685-8684
FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation
Hub - Department of Energy, Office of Science, Basic Energy Sciences;
Office of Vehicle Technologies of the U.S. Department of Energy
[DE-AC02-05CH11231, 6951379]; U.S. Department of Energy (DOE) [DE-AC05-
76RL01830]; Department of Energy's Office of Biological and
Environmental Research
FX The authors appreciate the beneficial discussion with Dr. Kang Xu of
Army Research Laboratory. This work was supported by Joint Center for
Energy Storage Research (JCESR), an Energy Innovation Hub funded by the
Department of Energy, Office of Science, Basic Energy Sciences. The
development of the in situ and operando SIMS concept and device were
supported by the Chemical Imaging Initiative, a Laboratory Directed
Research and Development Program at Pacific Northwest National
Laboratory (PNNL). The fabrication of the in situ TEM and in situ SIMS
cell was supported by the Assistant Secretary for Energy Efficiency and
Renewable Energy, Office of Vehicle Technologies of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231, Subcontract No. 6951379
under the advanced Battery Materials Research (BMR) program. PNNL is a
multiprogram national laboratory operated by Battelle for the U.S.
Department of Energy (DOE) under Contract DE-AC05- 76RL01830. The
research was performed using the Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by the
Department of Energy's Office of Biological and Environmental Research
and located at PNNL.
NR 29
TC 10
Z9 10
U1 11
U2 96
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 6170
EP 6176
DI 10.1021/acs.nanolett.5b02479
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700078
PM 26287361
ER
PT J
AU Qiu, J
Zeng, GT
Ha, MA
Ge, MY
Lin, YJ
Hettick, M
Hou, BY
Alexandrova, AN
Javey, A
Cronin, SB
AF Qiu, Jing
Zeng, Guangtong
Ha, Mai-Anh
Ge, Mingyuan
Lin, Yongjing
Hettick, Mark
Hou, Bingya
Alexandrova, Anastassia N.
Javey, Ali
Cronin, Stephen B.
TI Artificial Photosynthesis on TiO2-Passivated InP Nanopillars
SO NANO LETTERS
LA English
DT Article
DE Photoelectrochemical; InP; copper; CO2 reduction; TiO2-passivation;
methanol
ID AQUEOUS CARBON-DIOXIDE; JUNCTION SOLAR-CELLS; TIO2 110 SURFACE;
ELECTROCHEMICAL REDUCTION; GAP PHOTOCATALYSTS; GALLIUM-PHOSPHIDE; WATER
OXIDATION; METHANOL; COPPER; DENSITY
AB Here, we report photocatalytic CO2 reduction with water to produce methanol using TiO2-passivated InP nanopillar photocathodes under 532 nm wavelength illumination. In addition to providing a stable photocatalytic surface, the TiO2-passivation layer provides substantial enhancement in the photoconversion efficiency through the introduction of O vacancies associated with the nonstoichiometric growth of TiO2 by atomic layer deposition. Plane wave-density functional theory (PW-DFT) calculations confirm the role of oxygen vacancies in the TiO2 surface, which serve as catalytically active sites in the CO2 reduction process. PW-DFT shows that CO2 binds stably to these oxygen vacancies and CO2 gains an electron (-0.897e) spontaneously from the TiO2 support. This calculation indicates that the O vacancies provide active sites for CO2 absorption, and no overpotential is required to form the CO2- intermediate. The TiO2 film increases the Faraday efficiency of methanol production by 5.7X to 4.79% under an applied potential of -0.6 V vs NHE, which is 1.3 V below the E degrees(CO2/CO2-) = -1.9 eV standard redox potential. Copper nanoparticles deposited on the TiO2 act as a cocatalyst and further improve the selectivity and yield of methanol production by up to 8-fold with a Faraday efficiency of 8.7%.
C1 [Zeng, Guangtong; Ge, Mingyuan; Cronin, Stephen B.] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA.
[Qiu, Jing] Univ So Calif, Dept Mat Sci, Los Angeles, CA 90089 USA.
[Hou, Bingya; Cronin, Stephen B.] Univ So Calif, Dept Elect Engn, Los Angeles, CA 90089 USA.
[Ha, Mai-Anh; Alexandrova, Anastassia N.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90025 USA.
[Lin, Yongjing; Hettick, Mark; Alexandrova, Anastassia N.] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90025 USA.
[Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Cronin, SB (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA.
EM scronin@usc.edu
RI Javey, Ali/B-4818-2013; Qiu, Jing/N-5229-2016
FU ARO [W911NF-14-1-0228]; NSF [CBET-0846725]; Air Force Office of
Scientific Research under AFOSR BRI [FA9550-12-1-0481]; National Science
Foundation [ACI-1053575]
FX This research was supported by ARO Award No. W911NF-14-1-0228 (to J.Q.),
NSF Award No. CBET-0846725 (to G.Z.), and Air Force Office of Scientific
Research under AFOSR BRI Grant FA9550-12-1-0481 (to A.N.A). This work
used the Extreme Science and Engineering Discovery Environment
(XSEDE),33 which is supported by National Science Foundation
grant number ACI-1053575.
NR 34
TC 12
Z9 12
U1 14
U2 97
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 6177
EP 6181
DI 10.1021/acs.nanolett.5b02511
PG 5
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700079
PM 26267352
ER
PT J
AU Li, RP
Bian, KF
Wang, YX
Xu, HW
Hollingsworth, JA
Hanrath, T
Fang, JY
Wang, ZW
AF Li, Ruipeng
Bian, Kaifu
Wang, Yuxuan
Xu, Hongwu
Hollingsworth, Jennifer A.
Hanrath, Tobias
Fang, Jiye
Wang, Zhongwu
TI An Obtuse Rhombohedral Superlattice Assembled by Pt Nanocubes
SO NANO LETTERS
LA English
DT Article
DE Pt nanocube; self-assembly; obtuse rhombohedral; superlattice; SAXS and
WAXS; supercrystallography
ID SHAPE-CONTROLLED SYNTHESIS; COLLOIDAL SUPERPARTICLES;
PHASE-TRANSFORMATION; SILVER NANOCRYSTALS; BUILDING-BLOCKS;
NANOPARTICLES; MONODISPERSE; ATTACHMENT; PARTICLES; FILMS
AB We grew large single three-dimensional supercrystals from colloidal Pt nanocubes (NCs) suspended in hexane. A synchrotron-based two circle diffractometer was used to obtain an unprecedented level of detail from full sets of small/wide-angle X-ray scattering (SAXS/WAXS) patterns. Automatic indexing and simulations of X-ray patterns enabled detailed reconstruction of NC translation and shape orientation within the supercrystals from atomic to mesometric levels. The supercrystal has an obtuse rhombohedral (Rh) superlattice with space group R3m and a trigonal cell angle of 106.2 degrees. Individual NCs orient themselves in a manner of atomic Pt[111] parallel to superlattice Rh[111]. We analyzed the superlattice structure in context of three spatial relationships of proximate NCs including face-to-face, edge-to-edge, and corner-to-corner configurations. Detailed analysis of supercrystal structure reveals nearly direct corner-to-corner contacts and a tight interlocking NC structure. We employed the correlations between strain and lattice distortion and established the first structural correlating mechanism between five superlattice polymorphs to elucidate the superlattice transformations and associated developing pathways. Together, the experimental and modeling results provide comprehensive structural information toward controlling design and efficient materials-processing for large fabrication of nanobased functional materials with tailored structures and desired properties.
C1 [Li, Ruipeng; Wang, Zhongwu] Cornell Univ, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA.
[Bian, Kaifu; Hanrath, Tobias] Cornell Univ, Sch Chem & Bimol Engn, Ithaca, NY 14853 USA.
[Wang, Yuxuan; Fang, Jiye] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA.
[Xu, Hongwu] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Hollingsworth, Jennifer A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Wang, ZW (reprint author), Cornell Univ, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA.
EM zw42@cornell.edu
RI Bian, Kaifu /P-8369-2015; Li, Ruipeng/A-3691-2014;
OI Li, Ruipeng/0000-0001-8176-3138; Xu, Hongwu/0000-0002-0793-6923
FU Laboratory Directed Research and Development (LDRD) program of Los
Alamos National Laboratory; DOE [DE-AC52-06NA25396]; NSF [DMR-1332208]
FX We appreciate technical support from many CHESS staff and invaluable
discussions with many colleagues at Cornell University. Particular
thanks go to Marian Szebenyi and Tiit Lukk for crystallographic
programming indexing and Sol Gruner and Bill Bassett for scientific
inspiration. This work is partially supported by the Laboratory Directed
Research and Development (LDRD) program of Los Alamos National
Laboratory, which is operated by Los Alamos National Security LLC, under
DOE Contract DE-AC52-06NA25396. CHESS is supported by the NSF award
DMR-1332208.
NR 46
TC 15
Z9 15
U1 14
U2 78
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD SEP
PY 2015
VL 15
IS 9
BP 6254
EP 6260
DI 10.1021/acs.nanolett.5b02879
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR3SF
UT WOS:000361252700090
PM 26280872
ER
PT J
AU Birch, M
Singh, B
Dillmann, I
Abriola, D
Johnson, TD
McCutchan, EA
Sonzogni, AA
AF Birch, M.
Singh, B.
Dillmann, I.
Abriola, D.
Johnson, T. D.
McCutchan, E. A.
Sonzogni, A. A.
TI Evaluation of Beta-Delayed Neutron Emission Probabilities and Half-Lives
for Z=2-28
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID NUCLEAR PROPERTIES; ISOTOPES; DECAY; REFERENCES; PRECURSORS
AB We present an evaluation and compilation of beta-delayed neutron probabilities and half-lives for nuclei in the region Z = 2 - 28 (He-8 - Ni-80) This article includes the recommended values of these quantities as well as a compiled list of experimental measurements for each nucleus in the region for which beta-delayed neutron emission is possible. The literature cut-off for this work is August 15th, 2015. Some notable cases as well as new standards for beta-delayed neutron measurements in this mass region are also discussed.
C1 [Birch, M.; Singh, B.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
[Dillmann, I.] TRIUMF, Vancouver, BC V6T 2A3, Canada.
[Abriola, D.] CNEA, TANDAR Lab, Dept Phys, Buenos Aires, DF, Argentina.
[Johnson, T. D.; McCutchan, E. A.; Sonzogni, A. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Singh, B (reprint author), McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
EM ndgroup@mcmaster.ca
FU Office of Nuclear Physics, Office of Science of the U.S. Department of
Energy; Natural Sciences and Engineering Research Council of Canada
(NSERC); Office of Nuclear Physics, Office of Science of the U.S.
Department of Energy [DE-AC02-98CH10886]; Brookhaven Science Associates,
LLC; German Helmholtz association via the Young Investigators project
[VH-NG-627]; Canadian NSERC Grants [SAPIN-2014-00028, RG-PAS
462257-2014]; National Research Council of Canada
FX We would like to thank Stephanie Ciccone for providing us with her chart
of nuclides software for the figures in this work. The work at McMaster
was partly funded by the Office of Nuclear Physics, Office of Science of
the U.S. Department of Energy and by the Natural Sciences and
Engineering Research Council of Canada (NSERC). Work at Brookhaven
National Laboratory was sponsored by the Office of Nuclear Physics,
Office of Science of the U.S. Department of Energy under Contract No.
DE-AC02-98CH10886 with Brookhaven Science Associates, LLC. The work of
I. Dillmann is supported by the German Helmholtz association via the
Young Investigators project VH-NG-627 and the Canadian NSERC Grants
SAPIN-2014-00028 and RG-PAS 462257-2014. TRIUMF receives federal funding
via a contribution agreement through the National Research Council of
Canada. This work has been performed in the framework of a Coordinated
Research Project of the International Atomic Energy Agency (IAEA) on the
"Development of a Reference Database for beta-delayed neutron emission
data".
NR 26
TC 2
Z9 2
U1 0
U2 1
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD SEP-OCT
PY 2015
VL 128
BP 131
EP 184
DI 10.1016/j.nds.2015.08.002
PG 54
WC Physics, Nuclear
SC Physics
GA CR7AM
UT WOS:000361500000002
ER
PT J
AU Kiedrowski, BC
Brown, FB
Conlin, JL
Favorite, JA
Kahler, AC
Kersting, AR
Parsons, DK
Walker, JL
AF Kiedrowski, Brian C.
Brown, Forrest B.
Conlin, Jeremy L.
Favorite, Jeffrey A.
Kahler, Albert C.
Kersting, Alyssa R.
Parsons, D. Kent
Walker, Jessie L.
TI Whisper: Sensitivity/Uncertainty-Based Computational Methods and
Software for Determining Baseline Upper Subcritical Limits
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
ID MONTE-CARLO; SENSITIVITY; ENDF/B-VII.1; SCALE; MCNP6
AB Nuclear criticality safety analysis using computational methods such as a Monte Carlo method must establish, for a defined area of applicability, an upper subcritical limit (USL), which is a calculated multiplication factor k that can be treated as actually subcritical and is derived from a calculational margin (combination of bias and bias uncertainty) and a margin of subcriticality. Whisper, a nonparametric, extreme-value method based on sensitivity/uncertainty techniques and the associated software are presented. Whisper uses benchmark critical experiments, nuclear data sensitivities from the continuous-energy Monte Carlo transport software MCNP, and nuclear covariance data to set a baseline USL. Comparisons with a traditional parametric approach for validation, which requires benchmark data to be normally distributed, show that Whisper typically obtains similar or more conservative calculational margins; comparisons with a rank-order nonparametric approach show that Whisper obtains less stringent cakulational margins.
C1 [Kiedrowski, Brian C.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA.
[Kiedrowski, Brian C.; Brown, Forrest B.; Conlin, Jeremy L.; Favorite, Jeffrey A.; Kahler, Albert C.; Kersting, Alyssa R.; Parsons, D. Kent; Walker, Jessie L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Kiedrowski, BC (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, 2355 Bonisteel Blvd, Ann Arbor, MI 48109 USA.
EM bckiedro@umich.edu
FU U.S. Department of Energy/National Nuclear Security Administration
(DOE/NNSA) Nuclear Criticality Safety Program (NCSP); Advanced
Scientific Computing (ASC) program
FX This work was jointly funded by the U.S. Department of Energy/National
Nuclear Security Administration (DOE/NNSA) Nuclear Criticality Safety
Program (NCSP) and the Advanced Scientific Computing (ASC) program. The
authors would like to thank the generous consultation by staff at ORNL,
including and in no particular order: B. Rearden, C. Perfetti, W. J.
Marshall, D. Mueller, and D. Bowen. The authors would also like to thank
M. Mitchell at LANL, who provided useful discussions related to how
computational analysis relates to the more extensive process of
performing criticality safety evaluations.
NR 46
TC 1
Z9 1
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD SEP
PY 2015
VL 181
IS 1
BP 17
EP 47
PG 31
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5ZP
UT WOS:000361423200002
ER
PT J
AU Ibrahim, AM
Wilson, PPH
Sawan, ME
Mosher, SW
Peplow, DE
Wagner, JC
Evans, TM
Grove, RE
AF Ibrahim, Ahmad M.
Wilson, Paul P. H.
Sawan, Mohamed E.
Mosher, Scott W.
Peplow, Douglas E.
Wagner, John C.
Evans, Thomas M.
Grove, Robert E.
TI Automatic Mesh Adaptivity for Hybrid Monte Carlo/Deterministic
Neutronics Modeling of Difficult Shielding Problems
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
ID VARIANCE REDUCTION; NUCLEAR ANALYSIS; SCALE; CODE
AB The well-established Consistent Adjoint Driven Importance Sampling (CADIS) and the Forward Weighted Consistent Adjoint Driven Importance Sampling (FW-CADIS) hybrid Monte Carlo/deterministic techniques have dramatically increased the efficiency of neutronics simulations, yielding accurate solutions for increasingly complex problems through full-scale, high-fidelity simulations. However, for full-scale simulations of very large and geometrically complex nuclear energy systems, even the CADIS and FW-CADIS techniques can reach the CPU and memory limits of all but the vet)) powelful supercomputers. In this work, three mesh adaptivity algorithms were developed to reduce the computational resource requirements of CADIS and FW-CADIS without sacrificing their efficiency improvements. First, a macromaterial approach was developed to enhance the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm was developed to generate meshes that capture as much geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window (WW) coarsening (WWC) algorithm was developed to decouple the WW mesh and energy bins from the mesh and energy group structure of the deterministic calculations. By removing the memory constraint of the WW map from the resolution of the mesh and the energy group structure of the deterministic calculations, the WWC algorithm allows higher-fidelity deterministic calculations that, consequently, increase the efficiency and reliability of the CADIS and the FW-CADIS simulations. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility. Using these algorithms increased both the number of mesh tally elements in which nonzero results were obtained (+23.3%) and the overall efficiency of the calculation (a factor of >3.4). The three algorithms enabled this difficult calculation to be accurately solved using an FW-CADIS simulation on a 94-CPU computer cluster, eliminating the need for a world-class supercomputer.
C1 [Ibrahim, Ahmad M.; Mosher, Scott W.; Peplow, Douglas E.; Wagner, John C.; Evans, Thomas M.; Grove, Robert E.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA.
[Wilson, Paul P. H.; Sawan, Mohamed E.] Univ Wisconsin, Madison, WI 53706 USA.
RP Ibrahim, AM (reprint author), Oak Ridge Natl Lab, Reactor & Nucl Syst Div, POB 2008,Bldg 5700, Oak Ridge, TN 37831 USA.
EM ibrahimam@ornl.gov
RI Wagner, John/K-3644-2015
OI Wagner, John/0000-0003-0257-4502
FU U.S. Department of Energy [DE-AC05-00OR22725]
FX This manuscript has been authored by UT-Battelle, LLC, under contract
DE-AC05-00OR22725 with the U.S. Department of Energy.
NR 20
TC 0
Z9 0
U1 3
U2 7
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD SEP
PY 2015
VL 181
IS 1
BP 48
EP 59
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR5ZP
UT WOS:000361423200003
ER
PT J
AU Shin, DH
Yoon, SJ
Tak, NI
Park, GC
Cho, HK
AF Shin, Dong-Ho
Yoon, Su-Jong
Tak, Nam-Il
Park, Goon-Cherl
Cho, Hyoung-Kyu
TI ANALYTICAL STUDY ON THE EFFECTIVE THERMAL CONDUCTIVITY OF VHTR FUEL
BLOCK GEOMETRY WITH MULTIPLE CYLINDRICAL HOLES
SO NUCLEAR TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT International Congress on Advances in Nuclear Power Plants (ICAPP)
CY APR 06-09, 2014
CL Charlotte, NC
SP EXCEL Servi Corp Nucl Eng Consulting, AREVA, Exelon Generat, MITSUBISHI Heavy Ind LTD, MNES, CBI, TOSHIBA, Westinghouse
DE effective thermal conductivity; GAMMA plus code; Very High Temperature
Reactor
AB In Korea, the Very High Temperature Gas-Cooled Reactor (VHTR) PMR200 is being developed in the Nuclear Hydrogen Development and Demonstration project. Its core consists of hexagonal prism-shaped graphite blocks for the fuel and reflector, and each hexagonal fuel block contains 108 cylindrical coolant holes and 210 fuel compacts. Because of these holes and fuels, the heat transfer in lateral directions in the fuel blocks becomes very complicated. Especially in accident situations when forced convection is lost, the majority of the afterheat flows in the radial direction by conduction across the large number of coolant holes. Moreover, radiation heat transfer is supposed to be added to the radial heat transfer modes owing to the high temperature of the VHTR core. Because of these complexities in radial heat transfer, reliable modeling for effective thermal conductivity (ETC) is required in order to analyze the reactor core thermal behavior using lumped-parameter codes, which are often used to evaluate the integrity of nuclear fuel embedded in the graphite block. In this study, the ETC model adopted in the GAMMA+ code was introduced, and the adequacy of the model was assessed by the commercial computational fluid dynamics (CFD) code CFX-13. The results of the CFD analysis were consistent with the ETC model in general even if a slight disagreement was shown for the case of high temperature. From these analyses, it could be concluded that the ETC model adopted in the GAMMA+ code is an adequate model for the analysis of the PMR200 reactor core. Moreover, it was found that the effect of fuel gap can cause an overprediction of the ETC if the fuel compact thermal conductivity is larger than the applicable range of the model.
C1 [Shin, Dong-Ho; Park, Goon-Cherl; Cho, Hyoung-Kyu] Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea.
[Yoon, Su-Jong] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Tak, Nam-Il] Korea Atom Energy Res Inst, Daejeon 305353, South Korea.
RP Shin, DH (reprint author), Seoul Natl Univ, Dept Nucl Engn, 1 Gwanak Ro, Seoul 151742, South Korea.
EM chohk@snu.ac.kr
FU NHDD project [NRF-2014M2A8A2021297]; Korea Radiation Safety Foundation
(KORSAFE) grant - Korean government (NSSC) (Nuclear Safety Research
Center Program) [1305011]
FX This study was supported in part by the NHDD project coordinated by
KAERI (NRF-2014M2A8A2021297) and by the Korea Radiation Safety
Foundation (KORSAFE) grant funded by the Korean government (NSSC)
(Nuclear Safety Research Center Program: 1305011).
NR 15
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD SEP
PY 2015
VL 191
IS 3
BP 213
EP 222
PG 10
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR4YA
UT WOS:000361344800003
ER
PT J
AU Park, YS
Zhao, XR
Dworzanski, P
Gima, ZT
Vilim, RB
AF Park, Young S.
Zhao, Xiaorui
Dworzanski, Pawel
Gima, Zachary T.
Vilim, Richard B.
TI INTERACTIVE SIMULATION AND VISUALIZATION OF IN-REACTOR AND UNDER-SODIUM
VIEWING OPERATIONS
SO NUCLEAR TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT International Congress on Advances in Nuclear Power Plants (ICAPP)
CY APR 06-09, 2014
CL Charlotte, NC
SP EXCEL Servi Corp Nucl Eng Consulting, AREVA, Exelon Generat, MITSUBISHI Heavy Ind LTD, MNES, CBI, TOSHIBA, Westinghouse
DE virtual reality; interactive simulation; sodium fast reactor
ID SYSTEM
AB A prototype virtual reality simulator for mechanical operations in a sodium-cooled fast reactor is described. Developing simulation capabilities for fuel-handling operations and component inspection are of particular emphasis. Building on the first prototype, the objective is to provide multimodal (visual and haptic) sensing functionality, improve component models, and implement select scenarios for demonstration. RoboticsLab, a robotics software development framework, enables the necessary integration and development for mechanical operations simulation, supporting the capabilities for the construction of the virtual reality environment, fast robot prototyping, dynamics simulation, and customized sensing. Special emphasis was given to the simulation of the fuel-handling system and under-sodium viewing operation, which is one of the bottlenecks in the sodium-cooled fast reactor technology roadmap. By providing computer-based visualization, the virtual reality simulator can facilitate better reactor operation training and more comprehensive understanding and development of new concepts in integral mechanical operations.
C1 [Park, Young S.; Zhao, Xiaorui; Dworzanski, Pawel; Gima, Zachary T.; Vilim, Richard B.] Argonne Natl Lab, Nucl Engn Div, Lemont, IL 60439 USA.
RP Park, YS (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM ypark@anl.gov
FU U.S. Department of Energy, Basic Energy Sciences, Office of Science
[DE-AC02-06CH11357]
FX This work is supported by the U.S. Department of Energy, Basic Energy
Sciences, Office of Science, under contract DE-AC02-06CH11357.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD SEP
PY 2015
VL 191
IS 3
BP 223
EP 233
PG 11
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR4YA
UT WOS:000361344800004
ER
PT J
AU Passerini, S
Vilim, RB
AF Passerini, Stefano
Vilim, Richard B.
TI DESIGNING FOR INHERENT CONTROL IN LIQUID-METAL ADVANCED SMALL MODULAR
REACTORS
SO NUCLEAR TECHNOLOGY
LA English
DT Article; Proceedings Paper
CT International Congress on Advances in Nuclear Power Plants (ICAPP)
CY APR 06-09, 2014
CL Charlotte, NC
SP EXCEL Servi Corp Nucl Eng Consulting, AREVA, Exelon Generat, MITSUBISHI Heavy Ind LTD, MNES, CBI, TOSHIBA, Westinghouse
DE advanced small; modular reactors; passive safety; inherent control
AB Simulation results are presented for a design strategy that seeks to achieve inherent control and passive safety for liquid-metal advanced small modular reactors. The approach places an increased reliance on passive feedbacks to regulate plant operation. A reference liquid-metal reactor design is defined to serve as a baseline against which innovative design concepts can be compared with respect to operational performance. The definition assigns values to key plant parameters related to materials type, component data, system configuration (loop versus pool type), fuel cycle (burner versus breakeven versus breeder), and balance of plant. The reference design represents the state of the art of conventional fast reactor technology in terms of economics of electricity production, use of active control systems, and standard operation (e.g., refueling eveiy 2 to 3 years). Innovative design features and associated control strategies are then investigated for reducing-the size of upset imitators and for improving also the safety of the inherent response to the initiator. Initiators include failures of active systems and operator errors. At the same time the ability of the modified plant to meet normal grid demands subject to constraints on temperature rates of change is assessed. Results presented indicate that operational performance can be maintained while active system initiator size is reduced resulting in improved safety. Essentially, the innovations introduce inherent feedback mechanisms that serve to reduce the magnitude of the control action of the active control systems.
C1 [Passerini, Stefano; Vilim, Richard B.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
RP Passerini, S (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM stefano@anl.gov
FU U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]
FX This manuscript has been created by UChicago Argonne, LLC, operator of
Argonne National Laboratory (ANL). ANL, a U.S. Department of Energy
Office of Science laboratory, is operated under contract
DE-AC02-06CH11357.
NR 18
TC 0
Z9 0
U1 0
U2 5
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5450
EI 1943-7471
J9 NUCL TECHNOL
JI Nucl. Technol.
PD SEP
PY 2015
VL 191
IS 3
BP 254
EP 267
PG 14
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA CR4YA
UT WOS:000361344800007
ER
PT J
AU Mohamed, L
Sultan, M
Ahmed, M
Zaki, A
Sauck, W
Soliman, F
Yan, E
Elkadiri, R
Abouelmagd, A
AF Mohamed, Lamees
Sultan, Mohamed
Ahmed, Mohamed
Zaki, Abotalib
Sauck, William
Soliman, Farouk
Yan, Eugene
Elkadiri, Racha
Abouelmagd, Abdou
TI Structural Controls on Groundwater Flow in Basement Terrains:
Geophysical, Remote Sensing, and Field Investigations in Sinai
SO SURVEYS IN GEOPHYSICS
LA English
DT Review
DE Sinai; Groundwater flow; Very low frequency; Magnetic; Radar
backscattering; Remote sensing
ID ARABIAN-NUBIAN SHIELD; NAJD SHEAR SYSTEM; SOIL-MOISTURE; RED-SEA;
SOUTHERN SINAI; DYKE SWARMS; INTEGRATED APPROACH; EASTERN DESERT; SUEZ
RIFT; EGYPT
AB An integrated [very low frequency (VLF) electromagnetic, magnetic, remote sensing, field, and geographic information system (GIS)] study was conducted over the basement complex in southern Sinai (Feiran watershed) for a better understanding of the structural controls on the groundwater flow. The increase in satellite-based radar backscattering values following a large precipitation event (34 mm on 17-18 January 2010) was used to identify water-bearing features, here interpreted as preferred pathways for surface water infiltration. Findings include: (1) spatial analysis in a GIS environment revealed that the distribution of the water-bearing features (conductive features) corresponds to that of fractures, faults, shear zones, dike swarms, and wadi networks; (2) using VLF (43 profiles), magnetic (7 profiles) techniques, and field observations, the majority (85 %) of the investigated conductive features were determined to be preferred pathways for groundwater flow; (3) northwest-southeast- to north-south-trending conductive features that intersect the groundwater flow (southeast to northwest) at low angles capture groundwater flow, whereas northeast-southwest to east-west features that intersect the flow at high angles impound groundwater upstream and could provide potential productive well locations; and (4) similar findings are observed in central Sinai: east-west-trending dextral shear zones (Themed and Sinai Hinge Belt) impede south to north groundwater flow as evidenced by the significant drop in hydraulic head (from 467 to 248 m above mean sea level) across shear zones and by reorientation of regional flow (south-north to southwest-northeast). The adopted integrated methodologies could be readily applied to similar highly fractured basement arid terrains elsewhere.
C1 [Mohamed, Lamees; Sultan, Mohamed; Ahmed, Mohamed; Zaki, Abotalib; Sauck, William; Elkadiri, Racha] Western Michigan Univ, Dept Geosci, Kalamazoo, MI 49008 USA.
[Mohamed, Lamees] Mansoura Univ, Dept Geol, Mansoura 35516, Egypt.
[Ahmed, Mohamed; Soliman, Farouk; Abouelmagd, Abdou] Suez Canal Univ, Dept Geol, Ismailia 41522, Egypt.
[Yan, Eugene] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA.
[Abouelmagd, Abdou] King Abdullah Univ Sci & Technol, Water Desalinat & Reuse Ctr, Earth Syst Observat & Modeling, Thuwal 239556900, Saudi Arabia.
RP Sultan, M (reprint author), Western Michigan Univ, Dept Geosci, 1903 West Michigan Ave, Kalamazoo, MI 49008 USA.
EM mohamed.sultan@wmich.edu
OI Abouelmagd, Abdou/0000-0003-2128-0630; Sauck,
William/0000-0003-2911-3044
FU NATO Science for Peace grant [SFP 982614]; Earth Sciences Remote Sensing
facility at Western Michigan University; ESA [11920]
FX This research is supported by the NATO Science for Peace grant (SFP
982614) awarded to Western Michigan University, and by the Earth
Sciences Remote Sensing facility at Western Michigan University. We also
acknowledge the support of ESA data grant 11920 for the provision of the
ENVISAT radar scenes. We thank Dr. Khaled Mamoun from Suez Canal
University and our field guides Mohamed El Shaeir and Mohamed Mansour
for facilitating field work in Sinai, and our colleagues (Kyle Chouinard
and Malgorzata Krawczyk) at the Earth Sciences Remote Sensing facility
for their inputs and for their helpful discussions.
NR 64
TC 2
Z9 2
U1 5
U2 16
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0169-3298
EI 1573-0956
J9 SURV GEOPHYS
JI Surv. Geophys.
PD SEP
PY 2015
VL 36
IS 5
BP 717
EP 742
DI 10.1007/s10712-015-9331-5
PG 26
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CR6YV
UT WOS:000361495400005
ER
PT J
AU Degreif, D
Bertl, A
Keasling, JD
Budin, I
AF Degreif, Daniel
Bertl, Adam
Keasling, Jay D.
Budin, Itay
TI A novel flocculation pathway mediated by ER membrane fluidity
SO YEAST
LA English
DT Meeting Abstract
CT 27th International Conference on Yeast Genetics and Molecular Biology
(ICYGMB)
CY SEP 06-12, 2015
CL Fondazione Edmund Mach, Levico Terme, ITALY
SP Inst Cell Biol Nas Ukraine, Roche, Singer Instruments, Tema Ric, EMBO, Wiley Blackwell, Federat European Microbiol Soc, Assoc Genetica Italiana, Stanford Univ, DSB, Athesina Studiorum Univ, Soc Italiana Microbiologia Generale & Biotecnologie Microbiche, Saccharomyces Genome Database, Fondazione Bruno Kessler, Prov Autonoma Trento
HO Fondazione Edmund Mach
C1 [Degreif, Daniel; Keasling, Jay D.; Budin, Itay] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Emeryville, CA USA.
[Degreif, Daniel; Bertl, Adam] Tech Univ Darmstadt, Dept Biol, Yeast Membrane Biol, Darmstadt, Hessen, Germany.
NR 0
TC 0
Z9 0
U1 2
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0749-503X
EI 1097-0061
J9 YEAST
JI Yeast
PD SEP
PY 2015
VL 32
SU 1
MA PS3-7
BP S117
EP S117
PG 1
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Microbiology; Mycology
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Microbiology; Mycology
GA CR6OF
UT WOS:000361466200172
ER
PT J
AU Hittinger, CT
AF Hittinger, Chris Todd
TI The Evolution of wild and domesticated Saccharomyces eubayanus genomes
SO YEAST
LA English
DT Meeting Abstract
CT 27th International Conference on Yeast Genetics and Molecular Biology
(ICYGMB)
CY SEP 06-12, 2015
CL Fondazione Edmund Mach, Levico Terme, ITALY
SP Inst Cell Biol Nas Ukraine, Roche, Singer Instruments, Tema Ric, EMBO, Wiley Blackwell, Federat European Microbiol Soc, Assoc Genetica Italiana, Stanford Univ, DSB, Athesina Studiorum Univ, Soc Italiana Microbiologia Generale & Biotecnologie Microbiche, Saccharomyces Genome Database, Fondazione Bruno Kessler, Prov Autonoma Trento
HO Fondazione Edmund Mach
C1 [Hittinger, Chris Todd] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, JF Crow Inst Study Evolut,Wisconsin Energy Inst, Lab Genet,Genome Ctr Wisconsin, Madison, WI 53706 USA.
NR 0
TC 0
Z9 0
U1 1
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0749-503X
EI 1097-0061
J9 YEAST
JI Yeast
PD SEP
PY 2015
VL 32
SU 1
MA RT1-3
BP S48
EP S48
PG 1
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Microbiology; Mycology
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Microbiology; Mycology
GA CR6OF
UT WOS:000361466200038
ER
PT J
AU Atkinson, RW
John, SS
Dyck, O
Unocic, KA
Unocic, RR
Burke, CS
Cisco, JW
Rice, CA
Zawodzinski, TA
Papandrew, AB
AF Atkinson, Robert W., III
John, Samuel St.
Dyck, Ondrej
Unocic, Kinga A.
Unocic, Raymond R.
Burke, Colten S.
Cisco, Joshua W.
Rice, Cynthia A.
Zawodzinski, Thomas A., Jr.
Papandrew, Alexander B.
TI Support less, Bismuth-Modified Palladium Nanotubes with Improved
Activity and Stability for Formic Acid Oxidation
SO ACS CATALYSIS
LA English
DT Article
DE formic acid oxidation; palladium nanotube; bismuth adatom; chemical
vapor deposition; templated synthesis; anodic alumina
ID ABSORPTION FINE-STRUCTURE; NOBLE-METAL ELECTRODES; FUEL-CELLS;
PLATINUM-ELECTRODES; PARTICLE-SIZE; PT(111) ELECTRODES; SURFACE
CHARACTERIZATION; IRREVERSIBLE ADSORPTION; PD NANOPARTICLES;
CARBON-MONOXIDE
AB Palladium nanotubes (PdNTs) were synthesized by templated vapor deposition and investigated for formic acid electrooxidation. Annealed PdNTs are 2.4 times more active (2.19 mA/cm(2)) than commercial carbon-supported palladium (0.91 mA/cm(2)) at 0.3 V vs RHE. Bismuth modification improved nanotube performance over 4 times (3.75 mA/cm(2)) vs Pd/C and nearly 2 times vs unmodified PdNTs. A surface Bi coverage of 80% results in optimal site-specific activity by drastically reducing surface-poisoning CO generation during formic acid electrooxidation. The Bi-modified PdNTs are exceptionally stable, maintaining 2 times the area-normalized current density as Pd/C after 24 h at 0.2 V vs RHE. We attribute the enhanced activity and stability of the nanotube catalysts to the presence of highly coordinated surfaces, mimicking a flat polycrystal while retaining high surface area geometry.
C1 [Atkinson, Robert W., III; John, Samuel St.; Dyck, Ondrej; Zawodzinski, Thomas A., Jr.; Papandrew, Alexander B.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Unocic, Raymond R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Burke, Colten S.; Cisco, Joshua W.; Rice, Cynthia A.] Tennessee Technol Univ, Dept Chem Engn, Cookeville, TN 38505 USA.
[Rice, Cynthia A.] Tennessee Technol Univ, Ctr Mfg Res, Cookeville, TN 38505 USA.
[Unocic, Kinga A.; Zawodzinski, Thomas A., Jr.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Papandrew, AB (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
EM apapandr@utk.edu
RI Dyck, Ondrej/A-3294-2016
OI Dyck, Ondrej/0000-0001-8200-9874
FU NSF [EPS-1004083]; Advanced Photon Source, U.S. Department of Energy
(DOE) Office of Science User Facility [DE-AC02-06CH11357]
FX Support of this work was provided by the NSF-funded TN-SCORE program,
NSF EPS-1004083, under Thrust 2. STEM was conducted as part of a user
proposal at ORNL's Center for Nanophase Materials Sciences (CNMS), which
is an Office of Science User Facility. This research used resources of
the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory under Contract No. DE-AC02-06CH11357.
NR 74
TC 5
Z9 5
U1 10
U2 35
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD SEP
PY 2015
VL 5
IS 9
BP 5154
EP 5163
DI 10.1021/acscatal.5b01239
PG 10
WC Chemistry, Physical
SC Chemistry
GA CR1MT
UT WOS:000361089700023
ER
PT J
AU Zall, CM
Linehan, JC
Appel, AM
AF Zall, Christopher M.
Linehan, John C.
Appel, Aaron M.
TI A Molecular Copper Catalyst for Hydrogenation of CO2 to Formate
SO ACS CATALYSIS
LA English
DT Article
DE CO2; copper; hydrogenation; catalysis; H-2 activation; DBU
ID DEFINED IRON CATALYST; CARBON-DIOXIDE; METHANOL SYNTHESIS; COMPLEXES;
BICARBONATES; REDUCTION; LIGANDS; DEHYDROGENATION; REACTIVITY; INSERTION
AB There is widespread interest in the hydrogenation of CO2 to energy-rich products such as formate. However, first-row transition metal catalysts for the hydrogenation of CO2 to formate remain rare. Copper complexes are widely used in the reduction of organic substrates, but their use in the catalytic hydrogenation of CO2 has been limited. Here, we demonstrate that the copper(I) complex LCu(MeCN)PF6 is an active catalyst for CO2 hydrogenation in the presence of a suitable base. Screening of bases and studies of catalytic reactions by in operando spectroscopy revealed important and unusual roles for the base in promoting H-2 activation and turnover.
C1 [Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Appel, AM (reprint author), Pacific NW Natl Lab, POB 999,MS K2-57, Richland, WA 99352 USA.
EM aaron.appel@pnnl.gov
OI Appel, Aaron/0000-0002-5604-1253
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences Biosciences
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National
Laboratory is operated by Battelle for the US Department of Energy.
NR 40
TC 18
Z9 18
U1 12
U2 128
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD SEP
PY 2015
VL 5
IS 9
BP 5301
EP 5305
DI 10.1021/acscatal.5b01646
PG 5
WC Chemistry, Physical
SC Chemistry
GA CR1MT
UT WOS:000361089700037
ER
PT J
AU Hsieh, YC
Senanayake, SD
Zhang, Y
Xu, WQ
Polyansky, DE
AF Hsieh, Yu-Chi
Senanayake, Sanjaya D.
Zhang, Yu
Xu, Wenqian
Polyansky, Dmitry E.
TI Effect of Chloride Anions on the Synthesis and Enhanced Catalytic
Activity of Silver Nanocoral Electrodes for CO2 Electroreduction
SO ACS CATALYSIS
LA English
DT Article
DE nanoporous Ag; chloride modification; carbon dioxide reduction;
electrocatalysis; high selectivity
ID ELECTROCHEMICAL DOUBLE-LAYER; CARBON-DIOXIDE REDUCTION; AU
NANOPARTICLES; ELECTROCATALYTIC REDUCTION; CU NANOPARTICLES;
METAL-CATALYSTS; ACIDIC MEDIA; COPPER; SURFACES; XPS
AB Metallic silver (Ag) is known as an efficient electrocatalyst for the conversion of carbon dioxide (CO2) to carbon monoxide (CO) in aqueous or nonaqueous electrolytes. However, polycrystalline silver electrocatalysts require significant overpotentials in order to achieve high selectivity toward CO2 reduction, as compared to the side reaction of hydrogen evolution. Here we report a high-surface-area Ag nanocoral catalyst, fabricated by an oxidation reduction method in the presence of chloride anions in an aqueous medium, for the electro-reduction of CO2 to CO with a current efficiency of 95% at the low overpotential of 0.37 V and the current density of 2 mA cm(-2). A lower limit of TOF of 0.4 s(-1) and TON > 8.8 X 10(4) (over 72 h) was estimated for the Ag nanocoral catalyst at an overpotential of 0.49 V. The Ag nanocoral catalyst demonstrated a 32-fold enhancement in surface-area-normalized activity, at an overpotential of 0.49 V, as compared to Ag foil. We found that, in addition to the effect on nanomorphology, the adsorbed chloride anions play a critical role in the observed enhanced activity and selectivity of the Ag nanocoral electrocatalyst toward CO2 reduction. Synchrotron X-ray photoelectron spectroscopy (XPS) studies along with a series of control experiments suggest that the chloride anions, remaining adsorbed on the catalyst surface under electrocatalytic conditions, can effectively inhibit the side reaction of hydrogen evolution and enhance the catalytic performance for CO2 reduction.
C1 [Hsieh, Yu-Chi; Senanayake, Sanjaya D.; Zhang, Yu; Xu, Wenqian; Polyansky, Dmitry E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Polyansky, DE (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM dep@bnl.gov
RI Polyansky, Dmitry/C-1993-2009; Senanayake, Sanjaya/D-4769-2009;
OI Polyansky, Dmitry/0000-0002-0824-2296; Senanayake,
Sanjaya/0000-0003-3991-4232; Hsieh, Yu-Chi/0000-0003-0823-6571
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-98CH10886, DE-SC0012704]; Division of Chemical Sciences,
Geosciences, & Biosciences within Office of Basic Energy Sciences; BNL
[13-013]
FX We thank Dr. D. C. Grills for help with preparation of this manuscript.
This work was carried out at Brookhaven National Laboratory (BNL) under
Contracts DE-AC02-98CH10886 and DE-SC0012704 with the U.S. Department of
Energy, Office of Science, and supported in part by its Division of
Chemical Sciences, Geosciences, & Biosciences within the Office of Basic
Energy Sciences. The research was initiated with support from the BNL
Laboratory Directed Research and Development Project No. 13-013. XPS/XRD
measurements and electron microscopy were carried out at the National
Synchrotron Light Source and the Center for Functional Nanomaterials of
BNL, which are supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, under Contracts DE-AC02-98CH10886 and
DE-SC0012704.
NR 62
TC 25
Z9 25
U1 22
U2 151
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD SEP
PY 2015
VL 5
IS 9
BP 5349
EP 5356
DI 10.1021/acscatal.5b01235
PG 8
WC Chemistry, Physical
SC Chemistry
GA CR1MT
UT WOS:000361089700043
ER
PT J
AU Ho, MH
Rousseau, R
Roberts, JAS
Wiedner, ES
Dupuis, M
DuBois, DL
Bullock, RM
Raugei, S
AF Ho, Ming-Hsun
Rousseau, Roger
Roberts, John A. S.
Wiedner, Eric S.
Dupuis, Michel
DuBois, Daniel L.
Bullock, R. Morris
Raugei, Simone
TI Ab lnitio-Based Kinetic Modeling for the Design of Molecular Catalysts:
The Case of H-2 Production Electrocatalysts
SO ACS CATALYSIS
LA English
DT Article
DE electrocatalysis; H-2 production; ab initio calculations; molecular
dynamics; free energy simulations; microkinetic modeling
ID DENSITY-FUNCTIONAL THEORY; OUTER COORDINATION SPHERE;
HYDROGEN-PRODUCTION; PENDANT AMINES; COBALT COMPLEXES; RECENT PROGRESS;
HIGH-THROUGHPUT; OXIDATION; DYNAMICS; PROTON
AB Design of fast, efficient electrocatalysts for energy production and energy utilization requires a systematic approach to predict and tune the energetics of reaction intermediates and the kinetic barriers between them as well as to tune reaction conditions (e.g., concentration of reactants, acidity of the reaction medium, and applied electric potential). Thermodynamics schemes based on the knowledge of pK(a) values, hydride donor ability, redox potentials, and other relevant thermodynamic properties have been demonstrated to be very effective for exploring possible reaction pathways. We seek to identify high-energy intermediates, which may represent a catalytic bottleneck, and low-energy intermediates, which may represent a thermodynamic sink. In this study, working on a well-established Ni-based bioinspired electrocatalyst for H-2 production, we performed a detailed kinetic analysis of the catalytic pathways to assess the limitations of our current (standard state) thermodynamic analysis with respect to prediction of optimal catalyst performance. To this end, we developed a microkinetic model based on extensive ab initio simulations. The model was validated against available experimental data, and it reproduces remarkably well the observed turnover rate as a function of the acid concentration and catalytic conditions, providing valuable information on the main factors limiting catalysis. Using this kinetic analysis as a reference, we show that indeed a purely thermodynamic analysis of the possible reaction pathways provides us with valuable information, such as a qualitative picture of the species involved during catalysis, identification of the possible branching points, and the origin of the observed overpotential, which are critical insights for electrocatalyst design. However, a significant limitation of this approach is understanding how these insights relate to rate, which is an equally critical piece of information. Taking our analysis a step further, we show that the kinetic model can easily be extended to different catalytic conditions by using linear free energy relationships for activation barriers based on simple thermodynamics quantities, such as pKa values. We also outline a possible procedure to extend it to other catalytic platforms, making it a general and effective way to design catalysts with improved performance.
C1 [Ho, Ming-Hsun; Rousseau, Roger; Roberts, John A. S.; Wiedner, Eric S.; Dupuis, Michel; DuBois, Daniel L.; Bullock, R. Morris; Raugei, Simone] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Richland, WA 99352 USA.
RP Raugei, S (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, POB 999,K1-83, Richland, WA 99352 USA.
EM simone.raugei@pnnl.gov
RI Rousseau, Roger/C-3703-2014; Bullock, R. Morris/L-6802-2016
OI Bullock, R. Morris/0000-0001-6306-4851
FU Center for Molecular Electrocatalysis - U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences; DOE's Office of
Biological and Environmental Research
FX We thank Dr. W. J. Shaw, Dr. Aaron M. Appel, and Dr. M. L. Helm for
fruitful discussions. This research was supported as part of the Center
for Molecular Electrocatalysis, an Energy Frontier Research Center
funded by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences. Pacific Northwest National Laboratory is operated
by Battelle for the U.S. Department of Energy. Computer Resources were
provided by the W. R Wiley Environmental Molecular Sciences Laboratory
(EMSL), a DOE Office of Science User Facility located at Pacific
Northwest National Laboratory and sponsored by DOE's Office of
Biological and Environmental Research. Computer resources were also
provided by the National Energy Research Computing Center (NERSC) at the
Lawrence Berkeley National Laboratory.
NR 103
TC 8
Z9 8
U1 5
U2 39
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD SEP
PY 2015
VL 5
IS 9
BP 5436
EP 5452
DI 10.1021/acscatal.5b01152
PG 17
WC Chemistry, Physical
SC Chemistry
GA CR1MT
UT WOS:000361089700054
ER
PT J
AU Wang, WH
Ertem, MZ
Xu, SA
Onishi, N
Manaka, Y
Suna, Y
Kambayash, H
Muckerman, JT
Fujita, E
Himeda, Y
AF Wang, Wan-Hui
Ertem, Mehmed Z.
Xu, Shaoan
Onishi, Naoya
Manaka, Yuichi
Suna, Yuki
Kambayash, Hide
Muckerman, James T.
Fujita, Etsuko
Himeda, Yuichiro
TI Highly Robust Hydrogen Generation by Bioinspired Ir Complexes for
Dehydrogenation of Formic Acid in Water: Experimental and Theoretical
Mechanistic Investigations at Different pH
SO ACS CATALYSIS
LA English
DT Article
DE formic acid dehydrogenation; Ir complexes; mechanism; kinetic isotope
effect; pH dependence
ID CARBON-DIOXIDE; REVERSIBLE HYDROGENATION; AMBIENT-TEMPERATURE; LIGAND
COOPERATION; IRIDIUM CATALYST; H-2 PRODUCTION; STORAGE; DECOMPOSITION;
CO2; OXIDATION
AB Hydrogen generation from formic acid (FA), one of the most promising hydrogen storage materials, has attracted much attention due to the demand for the development of renewable energy carriers. Catalytic dehydrogenation of FA in an efficient and green manner remains challenging. Here, we report a series of bioinspired Ir complexes for highly robust and selective hydrogen production from FA in aqueous solutions without organic solvents or additives. One of these complexes bearing an imidazoline moiety (complex 6) achieved a turnover frequency (TOF) of 322 000 h(-1) at 100 degrees C, which is higher than ever reported. The novel catalysts are very stable and applicable in highly concentrated FA. For instance, complex 3 (1 mu mol) affords an unprecedented turnover number (TON) of 2 050 000 at 60 degrees C. Deuterium kinetic isotope effect experiments and density functional theory (DFT) calculations employing a "speciation" approach demonstrated a change in the rate-determining step with increasing solution pH. This study provides not only more insight into the mechanism of dehydrogenation of FA but also offers a new principle for the design of effective homogeneous organometallic catalysts for H-2 generation from FA.
C1 [Wang, Wan-Hui] Dalian Univ Technol, Sch Petr & Chem Engn, Panjin 124221, Peoples R China.
[Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Xu, Shaoan; Onishi, Naoya; Manaka, Yuichi; Suna, Yuki; Kambayash, Hide; Himeda, Yuichiro] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan.
[Manaka, Yuichi; Himeda, Yuichiro] Japan Sci & Technol Agcy, CREST, Kawaguchi, Saitama 3320012, Japan.
RP Muckerman, JT (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM muckerma@bnl.gov; fujita@bnl.gov; himeda.y@aist.go.jp
RI Wang, Wan-Hui/J-8773-2012; Onishi, Naoya/I-6373-2016;
OI Wang, Wan-Hui/0000-0002-5943-4589; Manaka, Yuichi/0000-0001-5872-3365
FU Japan Science and Technology Agency (JST), CREST; Dalian University of
Technology (Fundamental Research Funds for Central Universities)
[DUT14RC(3)082, 844401]; National Natural Science Foundation of China
[21402019]; U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences [DE-SC00112704]
FX Y.H. and Y.M. thank the Japan Science and Technology Agency (JST), CREST
for financial support. W.-H.W. is thankful for the financial support
from Dalian University of Technology (the Fundamental Research Funds for
the Central Universities, Grant No. DUT14RC(3)082; Grant No. 844401) and
National Natural Science Foundation of China (Grant No. 21402019). The
work at BNL was carried out under contract DE-SC00112704 with the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, and utilized resources at the BNL Center for Functional
Nanomaterials.
NR 59
TC 23
Z9 23
U1 11
U2 84
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD SEP
PY 2015
VL 5
IS 9
BP 5496
EP 5504
DI 10.1021/acscatal.5b01090
PG 9
WC Chemistry, Physical
SC Chemistry
GA CR1MT
UT WOS:000361089700058
ER
PT J
AU Kim, W
Frei, H
AF Kim, Wooyul
Frei, Heinz
TI Directed Assembly of Cuprous Oxide Nanocatalyst for CO2 Reduction
Coupled to Heterobinuclear ZrOCoII Light Absorber in Mesoporous Silica
SO ACS CATALYSIS
LA English
DT Article
DE photodeposition; carbon dioxide reduction; artificial photosynthesis;
photocatalysis; copper oxide catalyst; heterobinuclear light absorber
ID SUPPORTED COPPER-CATALYSTS; CARBON-DIOXIDE REDUCTION; CHARGE-TRANSFER
UNIT; ELECTROCHEMICAL REDUCTION; ELECTRON-TRANSFER; INFRARED-SPECTRA;
WATER OXIDATION; CU; PHOTOREDUCTION; COMPLEXES
AB Hierarchical assembly of an oxo-bridged binuclear ZrOCoII light absorber unit coupled to a cuprous oxide nanocluster catalyst for CO2 reduction on mesoporous silica support is demonstrated. The proper positioning of the Cu oxide cluster was achieved by photodeposition of a [Cu(NCCH3)(4)](2+)precursor by visible light excitation of the ZrOCo charge transfer chromophore, followed by mild calcination at 350 C. Illumination of the CuxOy-ZrOCo unit so formed in the presence of a diethylamine electron donor resulted in the reduction of surface Cu centers to Cu-0 as demonstrated by the characteristic infrared band of adsorbed (CO)-C-13 probe molecules at 2056 cm(-1). For analogous CuxOy-TiOCoII units, the oxidation state makeup of the surface Cu centers was dominated by Cu-I, and the Cu-0, Cu-I, and Cu-II composition was found to depend on the wavelength of MMCT excitation. The observed strong dependence of the CO2 photoreduction yield on the oxidation state of the surface Cu centers directly proves that CO2 is reduced on the CuxOy surface, thus establishing that the ZrOCoII unit functions as light absorber, donating electrons to the CuxOy catalyst on whose surface CO2 is reduced.
C1 [Kim, Wooyul; Frei, Heinz] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
EM HMFrei@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU Office of Science, Office of Basic Energy Sciences, Division of
Chemical, Geological and Biosciences of the U.S. Department of Energy
[DE-AC02-05CH11231]; National Center for Electron Microscopy; Lawrence
Berkeley National Laboratory; U.S. Department of Energy
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences, Division of Chemical, Geological and Biosciences
of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
The authors acknowledge the support of the National Center for Electron
Microscopy, Lawrence Berkeley National Laboratory, which is supported by
the U.S. Department of Energy.
NR 54
TC 3
Z9 3
U1 14
U2 71
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD SEP
PY 2015
VL 5
IS 9
BP 5627
EP 5635
DI 10.1021/acscatal.5b01306
PG 9
WC Chemistry, Physical
SC Chemistry
GA CR1MT
UT WOS:000361089700074
ER
PT J
AU Khan, M
Um, W
AF Khan, Mumtaz
Um, Wooyong
TI Liquid Scintillation Counting Methodology for Tc-99 Analysis: A Remedy
for Radiopharmaceutical Waste
SO ANALYTICAL CHEMISTRY
LA English
DT Article
ID ENVIRONMENTAL-SAMPLES; QUANTIFICATION; CARRIER; URINE
AB This paper presents a new approach for liquid scintillation counting (LSC) analysis of single-radionuclide samples containing appreciable organic or inorganic quench. This work offers better analytical results than existing LSC methods for technetium-99 (Tc-99g) analysis with significant savings in analysis cost and time. The method was developed to quantify Tc-99g in environmental liquid and urine samples using LSC. Method efficiency was measured in the presence of 1.9 to 11 900 ppm total dissolved solids. The resultant quench curve proved to be effective for quantifying spiked Tc-99g activity in deionized water, tap water, groundwater, seawater, and urine samples. Counting efficiency was found to be 91.66% for Ultima Gold LLT (ULG-LLT) and Ultima Gold (ULG). Relative error in spiked Tc-99g samples was +/-3.98% in ULG and ULG-LLT cocktails. Minimum detectable activity was determined to be 25.3 and 22.7 mBq for ULG-LLT and ULG cocktails, respectively. A preconcentration factor of 1000 was achieved at 100 degrees C for 100% chemical recovery.
C1 [Khan, Mumtaz; Um, Wooyong] Pohang Univ Sci & Technol, Nucl Engn Lab, Div Adv Nucl Engn, Pohang, Gyeongbuk, South Korea.
[Um, Wooyong] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Um, W (reprint author), Pohang Univ Sci & Technol, Nucl Engn Lab, Div Adv Nucl Engn, Engn Bldg 1,77 Cheongam Ro, Pohang, Gyeongbuk, South Korea.
EM wooyong.um@pnnl.gov
FU DANE POSTECH; BK21+ Program; basic research support project through the
National Research Foundation of Korea (NRF) - Ministry of Education,
Science, and Technology [4.0010363.01]
FX The authors are deeply thankful to DANE POSTECH and BK21+ Program for
providing financial support for research work. Additional research
funding was supported by basic research support project (4.0010363.01)
through the National Research Foundation of Korea (NRF) funded by the
Ministry of Education, Science, and Technology. We also appreciate Jin
mo Ahn, SangSoo Han, SeEun Chang, Seongsik Nam, HyunJu Kim, JungJin Kim,
Jaehyuk Kang, and WonSeok Kim for their coordination and support in this
work.
NR 23
TC 3
Z9 3
U1 2
U2 5
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0003-2700
EI 1520-6882
J9 ANAL CHEM
JI Anal. Chem.
PD SEP 1
PY 2015
VL 87
IS 17
BP 9054
EP 9060
DI 10.1021/acs.analchem.5b02279
PG 7
WC Chemistry, Analytical
SC Chemistry
GA CQ7HH
UT WOS:000360773100063
PM 26270580
ER
PT J
AU Krukowski, EG
Goodman, A
Rother, G
Ilton, ES
Guthrie, G
Bodnar, RJ
AF Krukowski, Elizabeth G.
Goodman, Angela
Rother, Gernot
Ilton, Eugene S.
Guthrie, George
Bodnar, Robert J.
TI FT-IR study of CO2 interaction with Na+ exchanged montmorillonite
SO APPLIED CLAY SCIENCE
LA English
DT Article
DE Global warming; Infrared spectroscopy; Carbon dioxide; Montmorillonite
ID SUPERCRITICAL CARBON-DIOXIDE; SOCIETY SOURCE CLAYS; IN-SITU; ADSORBED
WATER; BASE-LINE; SPECTROSCOPY; SEQUESTRATION; SMECTITES; HYDRATION;
SORPTION
AB Carbon capture, utilization and storage (CCUS) in saline reservoirs in sedimentary formations has the potential to reduce the impact of fossil fuel combustion on climate change by reducing CO2 emissions to the atmosphere and storing the CO2 in geologic formations in perpetuity. At pressure and temperature (PT) conditions relevant to CCUS, CO2 is less dense than the pre-existing brine in the formation, and the more buoyant CO2 will migrate to the top of the formation where it will be in contact with cap rock. Interactions between clay-rich shale cap rocks and CO2 are poorly understood at PT conditions appropriate for CCUS in saline formations. In this study, the interaction of CO2 with clay minerals in the cap rock overlying a saline formation has been examined using Na+ exchanged montmorillonite (Mt) (Na+-STx-1) (Na+ Mt) as an analog for clay-rich shale. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) was used to discern mechanistic information for CO2 interaction with hydrated (both one- and two-water layers) and relatively dehydrated (both dehydrated layers and one-water layers) Na+-STx-1 at 35 degrees C and 50 degrees C and CO2 pressure from 0-5.9 MPa. CO2-induced perturbations associated with the water layer and Na+-STx-1 vibrational modes such as AlAlOH and AlMgOH were examined. Data indicate that CO2 is preferentially incorporated into the interlayer space, with relatively dehydrated Na+-STx-1 capable of incorporating more CO2 compared to hydrated Na+-STx-1. Spectroscopic data provide no evidence of formation of carbonate minerals or the interaction of CO2 with sodium cations in the Na+-STx-1 structure. Published by Elsevier B.V.
C1 [Krukowski, Elizabeth G.; Bodnar, Robert J.] NETL RUA, Pittsburgh, PA USA.
[Krukowski, Elizabeth G.; Bodnar, Robert J.] Virginia Tech, Dept Geosci, Fluids Res Lab, Blacksburg, VA 24061 USA.
[Goodman, Angela; Guthrie, George] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Rother, Gernot] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Ilton, Eugene S.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
RP Goodman, A (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM angela.goodman@netl.doe.gov
RI Rother, Gernot/B-7281-2008
OI Rother, Gernot/0000-0003-4921-6294
FU National Energy Technology Laboratory; U.S. Department of Energy, Office
of Science, Basic Energy Sciences, Chemical Sciences, Geosciences &
Biosciences Division at Pacific Northwest National Laboratory (PNNL)
FX The authors thank Evgeny Myshakin for providing a high-resolution
version of the Mt structure shown in Fig. 2. The authors thank John
Loring for comparing the FTIR data in this study to indicate the
hydration state for the hydrated and relatively dehydrated
Na+-STx-1. Funding for E.G.K. was partially supported by the
National Energy Technology Laboratory. Work by GR and ESI was supported
by the U.S. Department of Energy, Office of Science, Basic Energy
Sciences, Chemical Sciences, Geosciences & Biosciences Division at
Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram
national laboratory operated for DOE by Battelle.
NR 34
TC 6
Z9 6
U1 5
U2 34
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0169-1317
EI 1872-9053
J9 APPL CLAY SCI
JI Appl. Clay Sci.
PD SEP
PY 2015
VL 114
BP 61
EP 68
DI 10.1016/j.clay.2015.05.005
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary; Mineralogy
SC Chemistry; Materials Science; Mineralogy
GA CQ7GW
UT WOS:000360772000008
ER
PT J
AU Slater, SC
Simmons, BA
Rogers, TS
Phillips, MF
Nordahl, K
Davison, BH
AF Slater, Steven C.
Simmons, Blake A.
Rogers, Tamara S.
Phillips, Margaret F.
Nordahl, Kristy
Davison, Brian H.
TI The DOE Bioenergy Research Centers: History, Operations, and Scientific
Output
SO BIOENERGY RESEARCH
LA English
DT Article
DE Bioenergy; Biomass; US Department of Energy; Great Lakes Bioenergy
Research Center; Bioenergy Science Center; Joint Bioenergy Institute;
Collaborative Research Center
ID PRETREATED CORN STOVER; PANICUM-VIRGATUM L.; GLYCOSIDE HYDROLASE
ACTIVITIES; INITIATOR MASS-SPECTROMETRY; IONIC LIQUID PRETREATMENT;
CLOSTRIDIUM-THERMOCELLUM; BIOMASS RECALCITRANCE; LIGNOCELLULOSIC
BIOMASS; ETHANOL-PRODUCTION; SYNTHETIC BIOLOGY
AB Over the past 7 years, the US Department of Energy's Office of Biological and Environmental Research has funded three Bioenergy Research Centers (BRCs). These centers have developed complementary and collaborative research portfolios that address the key technical and economic challenges in biofuel production from lignocellulosic biomass. All three centers have established a close, productive relationship with DOE's Joint Genome Institute (JGI). This special issue of Bioenergy Research samples the breadth of basic science and engineering work required to underpin a diverse, sustainable, and robust biofuel industry. In this report, which was collaboratively produced by all three BRCs, we discuss the BRC contributions over their first 7 years to the development of renewable transportation fuels. We also highlight the BRC research published in the current issue and discuss technical challenges in light of recent progress.
C1 [Slater, Steven C.; Phillips, Margaret F.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.
[Simmons, Blake A.; Nordahl, Kristy] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Rogers, Tamara S.; Davison, Brian H.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
RP Slater, SC (reprint author), WinnowGen Inc, Madison, WI 53717 USA.
EM scslater@winnowgen.com
RI Davison, Brian/D-7617-2013
OI Davison, Brian/0000-0002-7408-3609
FU Bioenergy Science Center (BESC), US Department of Energy Bioenergy
Research Center; Great Lakes Bioenergy Research Center (GLBRC), US
Department of Energy Bioenergy Research Center; BioEnergy Institute
(JBEI), US Department of Energy Bioenergy Research Center - Office of
Biological and Environmental Research in the DOE Office of Science; DOE
[DE-AC05-00OR22725]; US DOE's Office of Science, Office of Biological
and Environmental Research [DE-AC02-05CH11231]; [DE-FC02-07ER64494]
FX This research was funded by the Bioenergy Science Center (BESC), the
Great Lakes Bioenergy Research Center (GLBRC), and the Joint BioEnergy
Institute (JBEI), which are US Department of Energy Bioenergy Research
Centers supported by the Office of Biological and Environmental Research
in the DOE Office of Science. BESC is led by ORNL and is managed by
UT-Battelle, LLC, Oak Ridge, TN, USA, for the DOE under contract
DE-AC05-00OR22725. GLBRC operates under contract #DE-FC02-07ER64494 to
the University of Wisconsin-Madison, in a primary partnership with
Michigan State University. JBEI acknowledges the funding support from US
DOE's Office of Science, Office of Biological and Environmental
Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley
National Laboratory and the US DOE.
NR 103
TC 1
Z9 1
U1 4
U2 27
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 881
EP 896
DI 10.1007/s12155-015-9660-8
PG 16
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400001
ER
PT J
AU Sinistore, JC
Reinemann, DJ
Izaurralde, RC
Cronin, KR
Meier, PJ
Runge, TM
Zhang, XS
AF Sinistore, Julie C.
Reinemann, Douglas J.
Izaurralde, R. Cesar
Cronin, Keith R.
Meier, Paul J.
Runge, Troy M.
Zhang, Xuesong
TI Life Cycle Assessment of Switchgrass Cellulosic Ethanol Production in
the Wisconsin and Michigan Agricultural Contexts
SO BIOENERGY RESEARCH
LA English
DT Article
DE Panicum virgatum L; Greenhouse gas emissions; Soil carbon; Nitrous
oxide; Environmental Policy Integrated Climate (EPIC); Net energy ratio;
Acidification; Eutrophication
ID LAND-USE CHANGE; IMPROVING ANALYTICAL METHODOLOGIES; BIOFUELS TESTING
PREDICTIONS; LONG-TERM; WATERSHED-SCALE; ENERGY CROPS; EMISSIONS; MODEL;
SEQUESTRATION; BIOENERGY
AB Spatial variability in yields and greenhouse gas emissions from soils has been identified as a key source of variability in life cycle assessments (LCAs) of agricultural products such as cellulosic ethanol. This study aims to conduct an LCA of cellulosic ethanol production from switchgrass in a way that captures this spatial variability and tests results for sensitivity to using spatially averaged results. The Environment Policy Integrated Climate (EPIC) model was used to calculate switchgrass yields, greenhouse gas (GHG) emissions, and nitrogen and phosphorus emissions from crop production in southern Wisconsin and Michigan at the watershed scale. These data were combined with cellulosic ethanol production data via ammonia fiber expansion and dilute acid pretreatment methods and region-specific electricity production data into an LCA model of eight ethanol production scenarios. Standard deviations from the spatial mean yields and soil emissions were used to test the sensitivity of net energy ratio, global warming potential intensity, and eutrophication and acidification potential metrics to spatial variability. Substantial variation in the eutrophication potential was also observed when nitrogen and phosphorus emissions from soils were varied. This work illustrates the need for spatially explicit agricultural production data in the LCA of biofuels and other agricultural products.
C1 [Sinistore, Julie C.] Thinkstep, Leinfelden Echterdingen, Germany.
[Reinemann, Douglas J.; Cronin, Keith R.; Runge, Troy M.] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI USA.
[Reinemann, Douglas J.; Izaurralde, R. Cesar; Cronin, Keith R.; Meier, Paul J.; Runge, Troy M.; Zhang, Xuesong] Great Lakes Bioenergy Res Ctr, Madison, WI 53703 USA.
[Izaurralde, R. Cesar; Zhang, Xuesong] Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20742 USA.
[Meier, Paul J.] Univ Wisconsin, Wisconsin Energy Inst, Madison, WI USA.
RP Runge, TM (reprint author), Great Lakes Bioenergy Res Ctr, Madison, WI 53703 USA.
EM trunge@wbi.wisc.edu
RI zhang, xuesong/B-7907-2009
FU Department of Energy Great Lakes Bioenergy Research Center (DOE BER
Office of Science) [DE-FC02-07ER64494]; Department of Energy Great Lakes
Bioenergy Research Center (DOE OBP Office of Energy Efficiency and
Renewable Energy) [DE-AC05-76RL01830]
FX This work was funded by the Department of Energy Great Lakes Bioenergy
Research Center (DOE BER Office of Science DE-FC02-07ER64494 and DOE OBP
Office of Energy Efficiency and Renewable Energy DE-AC05-76RL01830). The
authors also gratefully acknowledge the contributions of Bryan Bals,
Bruce Dale, David Duncan, Pragnya Eranki, Shujiang Kang, David Manowitz,
Timothy D. Meehan, Mac Post, and Xuesong Zhang to this work.
NR 53
TC 4
Z9 4
U1 3
U2 32
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 897
EP 909
DI 10.1007/s12155-015-9611-4
PG 13
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400002
ER
PT J
AU Baxter, HL
Poovaiah, CR
Yee, KL
Mazarei, M
Rodriguez, M
Thompson, OA
Shen, H
Turner, GB
Decker, SR
Sykes, RW
Chen, F
Davis, MF
Mielenz, JR
Davison, BH
Dixon, RA
Stewart, CN
AF Baxter, Holly L.
Poovaiah, Charleson R.
Yee, Kelsey L.
Mazarei, Mitra
Rodriguez, Miguel, Jr.
Thompson, Olivia A.
Shen, Hui
Turner, Geoffrey B.
Decker, Stephen R.
Sykes, Robert W.
Chen, Fang
Davis, Mark F.
Mielenz, Jonathan R.
Davison, Brian H.
Dixon, Richard A.
Stewart, C. Neal, Jr.
TI Field Evaluation of Transgenic Switchgrass Plants Overexpressing PvMYB4
for Reduced Biomass Recalcitrance
SO BIOENERGY RESEARCH
LA English
DT Article
DE MYB4; Field trial; Lignocellulosic biofuel; Switchgrass
ID ALTERED LIGNIN BIOSYNTHESIS; ACID-O-METHYLTRANSFERASE; PANICUM-VIRGATUM
L.; BIOFUEL PRODUCTION; LIGNOCELLULOSIC BIOMASS; ETHANOL; FERMENTATION;
PRETREATMENT; FEEDSTOCKS; DEPOSITION
AB High biomass yields and minimal agronomic input requirements have made switchgrass, Panicum virgatum L., a leading candidate lignocellulosic bioenergy crop. Large-scale lignocellulosic biofuel production from such crops is limited by the difficulty to deconstruct cell walls into fermentable sugars: the recalcitrance problem. Our goal in this study was to assess the field performance of switchgrass plants overexpressing the switchgrass MYB4 (PvMYB4) transcription factor gene. PvMYB4 transgenic switchgrass can have great lignin reduction, which commensurately increases sugar release and biofuel production. Our results over two growing seasons showed that one transgenic event (out of eight) had important gains in both biofuel (32 % more) and biomass (63 % more) at the end of the second growing season relative to non-transgenic controls. These gains represent a doubling of biofuel production per hectare, which is the highest gain reported from any field-grown modified feedstock. In contrast to this transgenic event, which had relatively low ectopic overexpression of the transgene, five of the eight transgenic events planted did not survive the first field winter. The dead plants were all high-overexpressing events that performed well in the earlier greenhouse studies. Disease susceptibility was not compromised in any transgenic events over the field experiments. These results demonstrate the power of modifying the expression of an endogenous transcription factor to improve biofuel and biomass simultaneously, and also highlight the importance of field studies for "sorting" transgenic events. Further research is needed to develop strategies for fine-tuning temporal-spatial transgene expression in feedstocks to optimize desired phenotypes.
C1 [Baxter, Holly L.; Poovaiah, Charleson R.; Mazarei, Mitra; Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA.
[Yee, Kelsey L.; Rodriguez, Miguel, Jr.; Thompson, Olivia A.; Mielenz, Jonathan R.; Davison, Brian H.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Shen, Hui; Chen, Fang; Dixon, Richard A.] Univ N Texas, Dept Biol Sci, Denton, TX 76203 USA.
[Turner, Geoffrey B.; Decker, Stephen R.; Sykes, Robert W.; Davis, Mark F.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Baxter, Holly L.; Poovaiah, Charleson R.; Yee, Kelsey L.; Mazarei, Mitra; Rodriguez, Miguel, Jr.; Thompson, Olivia A.; Shen, Hui; Turner, Geoffrey B.; Decker, Stephen R.; Sykes, Robert W.; Chen, Fang; Davis, Mark F.; Mielenz, Jonathan R.; Davison, Brian H.; Dixon, Richard A.; Stewart, C. Neal, Jr.] Oak Ridge Natl Lab, BioEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA.
RP Stewart, CN (reprint author), Oak Ridge Natl Lab, BioEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA.
EM nealstewart@utk.edu
RI Davison, Brian/D-7617-2013; Poovaiah, Charleson/C-6777-2012;
OI Davison, Brian/0000-0002-7408-3609; davis, mark/0000-0003-4541-9852;
Poovaiah, Charleson/0000-0001-7157-5176
FU BioEnergy Science Center; Office of Biological and Environmental
Research in the DOE Office of Science; University of Tennessee
AgResearch; USDA Hatch grant
FX We thank Angela Ziebell, Erica Gjersing, Crissa Doeppke, Melvin Tucker,
Logan Schuster, Kimberly Mazza, Melissa Glenn, and Kevin Cowley for
their assistance with the cell wall characterization. We thank Reggie
Millwood for his assistance with the USDA APHIS BRS permitting and
adherence to regulations, Joshua Grant for preparing and propagating the
plants for field planting, and Ben Wolfe, Marcus Laxton, Johnathan
Branson, and the "UT field crew" for the general maintenance and
applying fungicide in the field. We thank Arnold Saxton for his
assistance with the field design and statistical analyses. This work was
supported by funding from the BioEnergy Science Center. The BioEnergy
Science Center is a US Department of Energy Bioenergy Research Center
supported by the Office of Biological and Environmental Research in the
DOE Office of Science. Field research was also supported by University
of Tennessee AgResearch and a USDA Hatch grant.
NR 44
TC 6
Z9 6
U1 5
U2 25
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 910
EP 921
DI 10.1007/s12155-014-9570-1
PG 12
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400003
ER
PT J
AU Ray, P
Ishiga, T
Decker, SR
Turner, GB
Craven, KD
AF Ray, Prasun
Ishiga, Takako
Decker, Stephen R.
Turner, Geoffrey B.
Craven, Kelly D.
TI A Novel Delivery System for the Root Symbiotic Fungus, Sebacina
vermifera, and Consequent Biomass Enhancement of Low Lignin COMT
Switchgrass Lines
SO BIOENERGY RESEARCH
LA English
DT Article
DE Switchgrass; Mycorrhizae; Sebacina; COMT
ID PANICUM-VIRGATUM; ETHANOL; ECTOMYCORRHIZAL; SOIL; HYDROLYSIS; ENDOPHYTE;
BACTERIA; POPULUS; ENERGY; PLANT
AB Sebacina vermifera (MAFF-305830) is a mycorrhizal fungus originally isolated from the roots of orchids that we have previously shown to be tremendously beneficial in enhancing biomass yield and drought tolerance in switchgrass, an important bioenergy crop for cellulosic ethanol production in the United States. Towards this end, we have developed a bentonite clay particle-based delivery system for mass production and dissemination of S. vermifera for large-scale field trials. A greenhouse-based experiment was conducted to evaluate this novel delivery method for biomass enhancement of wild type and transgenic, low lignin (COMT down-regulated) switchgrass lines compared to an efficient in vitro colonization method. S. vermifera colonization enhanced plant biomass regardless of delivery method, although the percentage of fungal biomass in planta increased with the clay-based delivery system. Further, we found that release of some clay minerals in solution was enhanced in the presence of S. vermifera, while others were seemingly reduced. Intriguingly, the presence of S. vermifera has little or no impact on cell wall composition, including lignification. This research is the first report documenting the development of a bentonite clay particle-based delivery system for mass production of any symbiotic microbe and suggests that S. vermifera can be packaged with a mineral composite and effectively delivered to a target host plant.
C1 [Ray, Prasun; Ishiga, Takako; Craven, Kelly D.] Samuel Roberts Noble Fdn Inc, Div Plant Biol, Ardmore, OK 73401 USA.
[Decker, Stephen R.; Turner, Geoffrey B.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
RP Craven, KD (reprint author), Samuel Roberts Noble Fdn Inc, Div Plant Biol, 2510 Sam Noble Pkwy, Ardmore, OK 73401 USA.
EM kdcraven@noble.org
FU Bioenergy Science Center, a US Department of Energy Bioenergy Research
Center through the Office of Biological and Environmental Research in
the DOE Office of Science
FX S. vermifera (MAFF-305830) used in this study was obtained from the
National Institute of Agro-biological Sciences, Tsukuba, Ibaraki, Japan.
The COMT lines used in this study were provided by Chunxiang Fu and
Zeng-Yu Wang, Forage Improvement Division, The Samuel Roberts Noble
Foundation. We thank Crissa Doeppke, Melissa Glenn, Kimberly Mazza,
Logan Schuster, and Kevin Cowley in NREL for their efforts in preparing
samples for the HTP recalcitrance pipeline; Erica Gjersing Robert Sykes
and Mark Davis in NREL for cell wall composition analysis; David Huhman
for ion chromatography; Stacy Allen for qRT-PCR; Jin Nakashima for
assistance with SEMand confocal microscopy; Stephen L. Webb for
assistance with statistical analysis; and Myoung-Hwan Chi, Blue Stewart,
Colleen Elles, and Amanda Hammon for greenhouse assistance. This work
was supported by the Bioenergy Science Center, a US Department of Energy
Bioenergy Research Center, through the Office of Biological and
Environmental Research in the DOE Office of Science.
NR 30
TC 1
Z9 1
U1 6
U2 25
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 922
EP 933
DI 10.1007/s12155-015-9636-8
PG 12
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400004
ER
PT J
AU Lu, FC
Karlen, SD
Regner, M
Kim, H
Ralph, SA
Sun, RC
Kuroda, K
Augustin, MA
Mawson, R
Sabarez, H
Singh, T
Jimenez-Monteon, G
Zakaria, S
Hill, S
Harris, PJ
Boerjan, W
Wilkerson, CG
Mansfield, SD
Ralph, J
AF Lu, Fachuang
Karlen, Steven D.
Regner, Matt
Kim, Hoon
Ralph, Sally A.
Sun, Run-Cang
Kuroda, Ken-ichi
Augustin, Mary Ann
Mawson, Raymond
Sabarez, Henry
Singh, Tanoj
Jimenez-Monteon, Gerardo
Zakaria, Sarani
Hill, Stefan
Harris, Philip J.
Boerjan, Wout
Wilkerson, Curtis G.
Mansfield, Shawn D.
Ralph, John
TI Naturally p-Hydroxybenzoylated Lignins in Palms
SO BIOENERGY RESEARCH
LA English
DT Article
DE Lignin acylation; Transferase; NMR; DFRC method; Poplar;
p-Hydroxybenzoic acid; Monolignol
ID FRUIT-BUNCH FIBERS; O-METHYLTRANSFERASE ACTIVITY; OIL PALM;
STRUCTURAL-CHARACTERIZATION; CELL-WALLS; 2D NMR; FERULATE 5-HYDROXYLASE;
FRACTIONAL ISOLATION; ERYTHRO/THREO RATIO; TRANSGENIC POPLARS
AB The industrial production of palm oil concurrently generates a substantial amount of empty fruit bunch (EFB) fibers that could be used as a feedstock in a lignocellulose-based biorefinery. Lignin byproducts generated by this process may offer opportunities for the isolation of value-added products, such as p-hydroxybenzoate (pBz), to help offset operating costs. Analysis of the EFB lignin by nuclear magnetic resonance (NMR) spectroscopy clearly revealed the presence of bound acetate and pBz, with saponification revealing that 1.1 wt% of the EFB was pBz; with a lignin content of 22.7 %, 4.8 % of the lignin is pBz that can be obtained as a pure component for use as a chemical feedstock. Analysis of EFB lignin by NMR and derivatization followed by reductive cleavage (DFRC) showed that pBz selectively acylates the gamma-hydroxyl group of S units. This selectivity suggests that pBz, analogously with acetate in kenaf, p-coumarate in grasses, and ferulate in a transgenic poplar augmented with a feruloyl-CoA monolignol transferase (FMT), is incorporated into the growing lignin chain via its gamma-p-hydroxybenzoylated monolignol conjugate. Involvement of such conjugates in palm lignification is proven by the observation of novel p-hydroxybenzoylated non-resinol beta-beta-coupled units in the lignins. Together, the data implicate the existence of p-hydroxybenzoyl-CoA:monolignol transferases that are involved in lignification in the various willows (Salix spp.), poplars and aspen (Populus spp., family Salicaceae), and palms (family Arecaceae) that have p-hydroxybenzoylated lignins. Even without enhancing the levels by breeding or genetic engineering, current palm oil EFB 'wastes' should be able to generate a sizeable stream of p-hydroxybenzoic acid that offers opportunities for the development of value-added products derived from the oil palm industry.
C1 [Lu, Fachuang; Karlen, Steven D.; Regner, Matt; Kim, Hoon; Ralph, Sally A.] Univ Wisconsin, Wisconsin Energy Inst, Dept Energys, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
[Lu, Fachuang; Regner, Matt; Kim, Hoon; Ralph, Sally A.] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA.
[Ralph, Sally A.] USDA, Forest Serv, US Forest Prod Lab, Madison, WI 53726 USA.
[Sun, Run-Cang] Beijing Forestry Univ, Beijing Key Lab Lignocellulos Chem, Beijing 100083, Peoples R China.
[Kuroda, Ken-ichi] Kyushu Univ, Fac Agr, Dept Forest & Forest Prod Sci, Fukuoka 8128581, Japan.
[Augustin, Mary Ann; Mawson, Raymond; Sabarez, Henry; Singh, Tanoj] CSIRO Food Nutr & Bioprod Flagship, Werribee, Vic 3030, Australia.
[Jimenez-Monteon, Gerardo] USA ARS Dairy Forage Res Ctr, Madison, WI 53706 USA.
[Zakaria, Sarani] Univ Kebangsaan Malaysia, Bioresources & Biorefinery Lab, Bangi 43600, Malaysia.
[Hill, Stefan] Scion, Rotorua 3046, New Zealand.
[Harris, Philip J.] Univ Auckland, Sch Biol Sci, Auckland 1, New Zealand.
[Boerjan, Wout] VIB, Dept Plant Syst Biol, B-9052 Ghent, Belgium.
[Boerjan, Wout] Univ Ghent, Dept Plant Biotechnol & Bioinformat, B-9052 Ghent, Belgium.
[Wilkerson, Curtis G.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA.
[Wilkerson, Curtis G.] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA.
[Wilkerson, Curtis G.] Michigan State Univ, Dept Energys, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
[Mansfield, Shawn D.] Univ British Columbia, Dept Wood Sci, Vancouver, BC V6T 1Z4, Canada.
[Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, Dept Biochem, Madison, WI 53726 USA.
[Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
RP Ralph, J (reprint author), Univ Wisconsin, Wisconsin Energy Inst, Dept Biochem, 1552 Univ Ave, Madison, WI 53726 USA.
EM jralph@wisc.edu
RI U-ID, Kyushu/C-5291-2016; Harris, Philip/P-9317-2016; Singh,
Tanoj/H-5705-2013
OI Harris, Philip/0000-0003-1807-8079; Singh, Tanoj/0000-0002-0413-1935
FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science)
[DE-FC02-07ER64494]; DOE Energy Biosciences program [DE-AI02-00ER15067,
DE-FG02-03ER15442]; USDA-CSREES National Research Initiatives (Improved
Utilization of Wood and Wood Fiber) [2001-02176]; NSF [CHE9974839]
FX We gratefully acknowledge partial funding through the DOE Great Lakes
Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494),
DOE Energy Biosciences program (#DE-AI02-00ER15067, #DE-FG02-03ER15442),
USDA-CSREES National Research Initiatives (Improved Utilization of Wood
and Wood Fiber #2001-02176), and, for the reported ESI-MS data, the
purchase of the Waters LCT (R) in 2000 that was partially funded by NSF
Award #CHE9974839 to the University of Wisconsin Department of
Chemistry. WB acknowledges the Multidisciplinary Research Partnership
(01MRB510W) 'Biotechnology for a Sustainable Economy.'
NR 73
TC 13
Z9 13
U1 9
U2 38
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 934
EP 952
DI 10.1007/s12155-015-9583-4
PG 19
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400005
ER
PT J
AU Lupoi, JS
Healey, A
Singh, S
Sykes, R
Davis, M
Lee, DJ
Shepherd, M
Simmons, BA
Henry, RJ
AF Lupoi, Jason S.
Healey, Adam
Singh, Seema
Sykes, Robert
Davis, Mark
Lee, David J.
Shepherd, Merv
Simmons, Blake A.
Henry, Robert J.
TI High-Throughput Prediction of Acacia and Eucalypt Lignin
Syringyl/Guaiacyl Content Using FT-Raman Spectroscopy and Partial Least
Squares Modeling
SO BIOENERGY RESEARCH
LA English
DT Article
DE Lignocellulose; Raman spectroscopy; High-throughput; Multivariate
analysis; Lignin S/G; Eucalyptus; Corymbia; Acacia
ID CELL-WALL DEGRADABILITY; STRUCTURAL FEATURES; WOOD; POPULUS; GLOBULUS;
HARDWOOD; RELEASE; SPECTRA; MAIZE
AB High-throughput techniques are necessary to efficiently screen potential lignocellulosic feedstocks for the production of renewable fuels, chemicals, and bio-based materials, thereby reducing experimental time and expense while supplanting tedious, destructive methods. The ratio of lignin syringyl (S) to guaiacyl (G) monomers has been routinely quantified as a way to probe biomass recalcitrance. Mid-infrared and Raman spectroscopy have been demonstrated to produce robust partial least squares models for the prediction of lignin S/G ratios in a diverse group of Acacia and eucalypt trees. The most accurate Raman model has now been used to predict the S/G ratio from 269 unknown Acacia and eucalypt feedstocks. This study demonstrates the application of a partial least squares model composed of Raman spectral data and lignin S/G ratios measured using pyrolysis/molecular beam mass spectrometry (pyMBMS) for the prediction of S/G ratios in an unknown data set. The predicted S/G ratios calculated by the model were averaged according to plant species, and the means were not found to differ from the pyMBMS ratios when evaluating the mean values of each method within the 95 % confidence interval. Pairwise comparisons within each data set were employed to assess statistical differences between each biomass species. While some pairwise appraisals failed to differentiate between species, Acacias, in both data sets, clearly display significant differences in their S/G composition which distinguish them from eucalypts. This research shows the power of using Raman spectroscopy to supplant tedious, destructive methods for the evaluation of the lignin S/G ratio of diverse plant biomass materials.
C1 [Lupoi, Jason S.; Healey, Adam; Simmons, Blake A.; Henry, Robert J.] Univ Queensland, Queensland Alliance Agr & Food Innovat, St Lucia, Qld 4072, Australia.
[Lupoi, Jason S.; Singh, Seema; Simmons, Blake A.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Singh, Seema; Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94551 USA.
[Sykes, Robert; Davis, Mark] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
[Sykes, Robert; Davis, Mark] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Lee, David J.] Univ Sunshine Coast, Forest Ind Res Ctr, Maroochydore, Qld 4558, Australia.
[Lee, David J.] Queensland Dept Agr Fisheries & Forestry, Maroochydore, Qld 4558, Australia.
[Shepherd, Merv] So Cross Univ, Southern Cross Plant Sci, East Lismore, NSW 2480, Australia.
RP Lupoi, JS (reprint author), Univ Queensland, Queensland Alliance Agr & Food Innovat, 306 Carmody Rd, St Lucia, Qld 4072, Australia.
EM jslupoi@lbl.gov; adam.healey@uq.net.au; seesing@sandia.gov;
Robert.Sykes@nrel.gov; Mark.Davis@nrel.gov; dlee@usc.edu.au;
mervyn.shepherd@scu.edu.au; basimmons@lbl.gov; robert.henry@uq.edu.au
RI Henry, Robert/B-5824-2008; Shepherd, Mervyn/F-1068-2011;
OI Henry, Robert/0000-0002-4060-0292; Shepherd, Mervyn/0000-0001-8708-4670;
davis, mark/0000-0003-4541-9852
FU Queensland Alliance for Agriculture and Food Innovation; Joint BioEnergy
Institute; Office of Science, Office of Biological and Environmental
Research, of the US Department of Energy [DE-AC02-05CH11231]; Office of
Biological and Environmental Research in the DOE Office of Science
FX This manuscript was supported as part of a collaboration between the
Queensland Alliance for Agriculture and Food Innovation and the Joint
BioEnergy Institute. The work conducted by the Joint BioEnergy Institute
was supported by the Office of Science, Office of Biological and
Environmental Research, of the US Department of Energy under contract
no. DE-AC02-05CH11231. The BioEnergy Science Center is a US Department
of Energy Bioenergy Research Center supported by the Office of
Biological and Environmental Research in the DOE Office of Science. The
authors would like to thank Erica Gjersing at the National Renewable
Energy Lab, for assistance and guidance with respect to the
high-throughput pyMBMS pipeline, and John Bartle, Western Australian
Department of Environment and Conservation, for the collecting and
processing of some the wood samples and information regarding the
environmental specifications of the growing site. The material from the
Queensland and New South Wales sites was accessed from Queensland
Department of Agriculture, Fisheries and Forestry trials.
NR 26
TC 2
Z9 2
U1 4
U2 21
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 953
EP 963
DI 10.1007/s12155-015-9578-1
PG 11
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400006
ER
PT J
AU Sykes, RW
Gjersing, EL
Doeppke, CL
Davis, MF
AF Sykes, Robert W.
Gjersing, Erica L.
Doeppke, Crissa L.
Davis, Mark F.
TI High-Throughput Method for Determining the Sugar Content in Biomass with
Pyrolysis Molecular Beam Mass Spectrometry
SO BIOENERGY RESEARCH
LA English
DT Article
DE Glucose; Xylose; Recalcitrance; Prediction; Herbaceous; Conifer;
Hardwood; Bioenergy
ID CORN STOVER; CELLULOSE; PLATFORM; BIOFUELS
AB There is an important need to assess biomass recalcitrance in large populations of both natural and transgenic plants to identify promising candidates for lignocellulosic biofuel production. In order to properly test and optimize parameters for biofuel production, the starting sugar content must be known to calculate percent sugar yield and conversion efficiencies. Pyrolysis molecular beam mass spectrometry (py-MBMS) has been used as a high-throughput method for determination of lignin content and structure, and this report demonstrates its applicability for determining glucose, xylose, arabinose, galactose, and mannose content in biomass. Biomass from conifers, hardwoods, and herbaceous species were used to create a 44 sample partial least squares (PLS) regression models of py-MBMS spectra-based sugar estimates on high-performance liquid chromatography (HPLC) sugar content data. The total sugar py-MBMS regression model had a R (2) of 0.91 with a 0.17 mg/mg root mean square error of validation indicating accurate estimation of total sugar content for a range of biomass types. Models were validated using eight independent biomass samples from multiple species, with predictions falling within errors of the HPLC data. With a data collection time of 1.5 min per sample, py-MBMS serves as a rapid high-throughput method for quantifying sugar content in biomass.
C1 [Sykes, Robert W.; Gjersing, Erica L.; Doeppke, Crissa L.; Davis, Mark F.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Sykes, Robert W.; Gjersing, Erica L.; Doeppke, Crissa L.; Davis, Mark F.] BioEnergy Sci Ctr, Golden, CO 80401 USA.
RP Sykes, RW (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM robert.sykes@nrel.gov
OI davis, mark/0000-0003-4541-9852
FU Office of Biological and Environmental Research in the DOE Office of
Science; US Department of Energy [DE-AC36-08-GO28308]; National
Renewable Energy Laboratory
FX This work was conducted as part of the BioEnergy Science Center (BESC).
The BESC is a US Department of Energy Bioenergy Research Center
supported by the Office of Biological and Environmental Research in the
DOE Office of Science. This work was supported by the US Department of
Energy under contract no. DE-AC36-08-GO28308 with the National Renewable
Energy Laboratory.
NR 27
TC 1
Z9 1
U1 2
U2 39
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 964
EP 972
DI 10.1007/s12155-015-9610-5
PG 9
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400007
ER
PT J
AU Sathitsuksanoh, N
Sawant, M
Truong, Q
Tan, J
Canlas, CG
Sun, N
Zhang, W
Renneckar, S
Prasomsri, T
Shi, J
Cetinkol, O
Singh, S
Simmons, BA
George, A
AF Sathitsuksanoh, Noppadon
Sawant, Manali
Truong, Quoc
Tan, Jared
Canlas, Christian G.
Sun, Ning
Zhang, Wei
Renneckar, Scott
Prasomsri, Teerawit
Shi, Jian
Cetinkol, Oezguel
Singh, Seema
Simmons, Blake A.
George, Anthe
TI How Alkyl Chain Length of Alcohols Affects Lignin Fractionation and
Ionic Liquid Recycle During Lignocellulose Pretreatment
SO BIOENERGY RESEARCH
LA English
DT Article
DE Biofuels; Pretreatment; Ionic liquids; Lignin; Ionic liquid recycle
ID ENZYMATIC-HYDROLYSIS; NMR-SPECTROSCOPY; DILUTE-ACID; CELLULOSE; BIOMASS;
SWITCHGRASS; SACCHARIFICATION; ACCESSIBILITY; TECHNOLOGIES
AB Alcohols of increasing alkyl chain length were investigated as precipitants in an ionic liquid (IL) pretreatment system. Switchgrass samples pretreated by 1-ethyl-3-methylimidazolium acetate were characterized after the use of different alkyl chain lengths of alcohols as antisolvents. The resulting IL-pretreated switchgrass (PSG) samples were characterized by enzymatic hydrolysis, cross polarization/magic angle spinning (CP/MAS) C-13 nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FTIR), and 2D NMR spectroscopy. Glucan digestibilities of PSG samples were similar to 80 % after 72 h at 5 mg protein g(-1) glucan regardless of the antisolvent used. The use of 1-octanol as an antisolvent, with 10 % water to allow for use of wet biomass, enabled a partial lignin fractionation and multiphase separation for the IL recycle without compromising the chemical structure of the carbohydrates and lignin from the PSG. Lignin fragments were observed in the IL after pretreatment by gel permeation chromatography (GPC). After separation, both the IL and the octanol antisolvent were reused for switchgrass pretreatment and precipitation for an additional 3 cycles. The PSG samples derived from recycled IL were rapidly hydrolyzed, and a high glucan digestibility of 80 % was obtained even at a low enzyme loading of 5 mg protein g(-1) glucan. 2D NMR analysis of residual solids of PSG post-enzymatic hydrolysis revealed that lignin in these residual solids was depolymerized. This strategy enables an ease in separation of pretreated lignocellulosic solids, reduced water use, and recycle of both IL and the antisolvent.
C1 [Sathitsuksanoh, Noppadon; Sawant, Manali; Truong, Quoc; Tan, Jared; Sun, Ning; Shi, Jian; Cetinkol, Oezguel; Singh, Seema; Simmons, Blake A.; George, Anthe] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Sathitsuksanoh, Noppadon; Sawant, Manali; Truong, Quoc; Tan, Jared; Sun, Ning; Cetinkol, Oezguel] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Canlas, Christian G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Zhang, Wei; Renneckar, Scott] Virginia Tech, Dept Biomat, Blacksburg, VA 24061 USA.
[Prasomsri, Teerawit] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Shi, Jian; Singh, Seema; Simmons, Blake A.; George, Anthe] Sandia Natl Labs, Livermore, CA 94551 USA.
[Cetinkol, Oezguel] Middle E Tech Univ, Dept Chem, TR-06800 Ankara, Turkey.
RP George, A (reprint author), Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.
EM ageorge@lbl.gov
FU Office of Biological and Environmental Research in the DOE Office of
Science through the Joint BioEnergy Institute (JBEI) [DE-AC02-05CH11231]
FX This work is supported by the Office of Biological and Environmental
Research in the DOE Office of Science through the Joint BioEnergy
Institute (JBEI) (Contract number DE-AC02-05CH11231). We would like to
thank Novozymes (R) North American for providing CTec2 and HTec2 enzyme
mixtures. We were grateful to Professor John Ralph of the Biochemistry
Department, University of Wisconsin (USA) for his helpful suggestions on
HSQC experiments.
NR 16
TC 2
Z9 3
U1 6
U2 40
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 973
EP 981
DI 10.1007/s12155-015-9643-9
PG 9
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400008
ER
PT J
AU Li, CL
Tanjore, D
He, W
Wong, J
Gardner, JL
Thompson, VS
Yancey, NA
Sale, KL
Simmons, BA
Singh, S
AF Li, Chenlin
Tanjore, Deepti
He, Wei
Wong, Jessica
Gardner, James L.
Thompson, Vicki S.
Yancey, Neal A.
Sale, Kenneth L.
Simmons, Blake A.
Singh, Seema
TI Scale-Up of Ionic Liquid-Based Fractionation of Single and Mixed
Feedstocks
SO BIOENERGY RESEARCH
LA English
DT Article
DE Biomass pretreatment; Scale-up; Ionic liquid pretreatment; Mixed
feedstocks
ID COMPARATIVE SUGAR RECOVERY; LIGNOCELLULOSIC BIOMASS;
ENZYMATIC-HYDROLYSIS; CORN STOVER; PRETREATMENT; SWITCHGRASS;
EXTRACTION; TECHNOLOGIES; FERMENTATION; LOADINGS
AB Lignocellulosic biorefineries have tonnage and throughput requirements that must be met year round, and there is no single feedstock available in any given region that is capable of meeting the price and availability demands of the biorefineries. Ionic liquid (IL) pretreatment with certain ILs is receiving significant attentions as a potential process that enables fractionation of a wide range of feedstocks and produces high yields of fermentable sugars suitable for biofuel production. Building on the large-scale demonstration of a single herbaceous feedstock (switchgrass), this work extends scale-up of IL pretreatment to woody (eucalyptus) and mixed feedstock (mixtures of two) by 30-fold, relative to the bench scale (6 vs 0.2 L) at 10 % solid loading. The mixed feedstock recovered similar yields of glucan (99.7 %), xylan (62.8 %), and lignin (59.9 %) as switchgrass and eucalyptus at 6-L scale operation, and results of all three feedstocks are better than those obtained from small-scale studies. By integrating the process of IL pretreatment with efficient and scalable homogenization, washing, and product recovery system, IL contents in the recovered materials were decreased to 0.2 %, mitigating the risk to downstream enzymatic saccharification and microbial fermentation. Results indicate that mixed feedstock are viable and valuable resource to consider when assessing biomass availability and affordability for lignocellulosic biorefineries. This scale-up evaluation demonstrates that IL pretreatment technology is feedstock agnostic and can be effectively scaled to larger operations.
C1 [Li, Chenlin; Tanjore, Deepti; He, Wei; Wong, Jessica; Gardner, James L.] Lawrence Berkeley Natl Lab, Adv Biofuels Proc Demonstrat Unit, Emeryville, CA 94720 USA.
[Thompson, Vicki S.] Idaho Natl Lab, Dept Syst Biol, Idaho Falls, ID USA.
[Yancey, Neal A.] Biofuels & Renewable Energy Technol Dept, Idaho Falls, ID USA.
[Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA USA.
[Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA USA.
RP Li, CL (reprint author), Lawrence Berkeley Natl Lab, Adv Biofuels Proc Demonstrat Unit, Emeryville, CA 94720 USA.
EM CLi@lbl.gov
RI Thompson, Vicki/B-9086-2017
OI Thompson, Vicki/0000-0003-4975-392X
FU Office of Biomass Program within the US DOE's Office of Energy
Efficiency and Renewable Energy; American Recovery and Reinvestment Act;
US DOE's Office of Science, Office of Biological and Environmental
Research [DE-AC02-05CH11231]
FX ABPDU would like to acknowledge the funding support from Office of
Biomass Program within the US DOE's Office of Energy Efficiency and
Renewable Energy and also the funding support from the American Recovery
and Reinvestment Act. JBEI would like to acknowledge the funding support
from US DOE's Office of Science, Office of Biological and Environmental
Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley
National Laboratory and the US DOE. The authors would like to thank the
Idaho National Laboratory for providing the switchgrass and eucalyptus
used in this work.
NR 33
TC 7
Z9 7
U1 7
U2 39
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 982
EP 991
DI 10.1007/s12155-015-9587-0
PG 10
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400009
ER
PT J
AU Pu, YQ
Hu, F
Huang, F
Ragauskas, AJ
AF Pu, Yunqiao
Hu, Fan
Huang, Fang
Ragauskas, Arthur J.
TI Lignin Structural Alterations in Thermochemical Pretreatments with
Limited Delignification
SO BIOENERGY RESEARCH
LA English
DT Article
DE Lignin; Thermochemical pretreatment; Limited delignification; Structural
alterations; Recalcitrance
ID DILUTE-ACID PRETREATMENT; HOT-WATER PRETREATMENT; SUBSEQUENT
ENZYMATIC-HYDROLYSIS; BIOETHANOL PRODUCTION PROCESS; STEAM-EXPLODED
WOOD; CORN STOVER; LIGNOCELLULOSIC BIOMASS; HYDROTHERMAL PRETREATMENT;
ETHANOL-PRODUCTION; WHEAT-STRAW
AB Lignocellulosic biomass has a complex and rigid cell wall structure that makes biomass recalcitrant to biological and chemical degradation. Among the three major structural biopolymers (i.e., cellulose, hemicellulose, and lignin) in plant cell walls, lignin is considered the most recalcitrant component and generally plays a negative role in the biochemical conversion of biomass to biofuels. The conversion of biomass to biofuels through a biochemical platform usually requires a pretreatment stage to reduce the recalcitrance. Pretreatment renders compositional and structural changes of biomass with these changes ultimately governing the efficiency of the subsequent enzymatic hydrolysis. Dilute acid, hot water, steam explosion, and ammonia fiber expansion pretreatments are among the leading thermochemical pretreatments with a limited delignification that can reduce biomass recalcitrance. Practical applications of these pretreatment are rapidly developing as illustrated by recent commercial scale cellulosic ethanol plants. While these thermochemical pretreatments generally lead to only a limited delignification and no significant change of lignin content in the pretreated biomass, the lignin transformations that occur during these pretreatments and the roles they play in recalcitrance reduction are important research aspects. This review highlights recent advances in our understanding of lignin alterations during these limited delignification thermochemical pretreatments, with emphasis on lignin chemical structures, molecular weights, and redistributions in the pretreated biomass.
C1 [Pu, Yunqiao; Ragauskas, Arthur J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Hu, Fan; Huang, Fang] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN USA.
[Ragauskas, Arthur J.] Univ Tennessee, Ctr Renewable Carbon, Dept Forestry Wildlife & Fisheries, Knoxville, TN USA.
[Pu, Yunqiao; Hu, Fan; Ragauskas, Arthur J.] BioEnergy Sci Ctr, Oak Ridge, TN USA.
RP Ragauskas, AJ (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
EM aragausk@utk.edu
RI Pu, Yunqiao/H-3206-2016;
OI Pu, Yunqiao/0000-0003-2554-1447; Ragauskas, Arthur/0000-0002-3536-554X
FU U.S. Department of Energy [DE-AC05-00OR22725]; BioEnergy Science Center
(BESC); Office of Biological and Environmental Research in the DOE
Office of Science
FX This manuscript has been authored by UT-Battelle, LLC under Contract No.
DE-AC05-00OR22725 with the U.S. Department of Energy. The work was
supported and performed as part of the BioEnergy Science Center (BESC).
The BioEnergy Science Center is a U.S. Department of Energy Bioenergy
Research Center supported by the Office of Biological and Environmental
Research in the DOE Office of Science.
NR 117
TC 6
Z9 6
U1 13
U2 41
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 992
EP 1003
DI 10.1007/s12155-015-9655-5
PG 12
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400010
ER
PT J
AU Shi, J
George, KW
Sun, N
He, W
Li, CL
Stavila, V
Keasling, JD
Simmons, BA
Lee, TS
Singh, S
AF Shi, Jian
George, Kevin W.
Sun, Ning
He, Wei
Li, Chenlin
Stavila, Vitalie
Keasling, Jay D.
Simmons, Blake A.
Lee, Taek Soon
Singh, Seema
TI Impact of Pretreatment Technologies on Saccharification and Isopentenol
Fermentation of Mixed Lignocellulosic Feedstocks
SO BIOENERGY RESEARCH
LA English
DT Article
DE Mixed feedstock; Biomass pellet; Biomass pretreatment; Isopentenol;
Simultaneous saccharification and fermentation; Ionic liquid; Dilute
acid; Soaking aqueous ammonia
ID IONIC LIQUID PRETREATMENT; DILUTE SULFURIC-ACID; ENZYMATIC-HYDROLYSIS;
SUGAR YIELDS; ETHANOL-PRODUCTION; AQUEOUS AMMONIA; PARTICLE-SIZE; CORN
STOVER; SWITCHGRASS; BIOMASS
AB In order to enable the large-scale production of biofuels or chemicals from lignocellulosic biomass, a consistent and affordable year-round supply of lignocellulosic feedstocks is essential. Feedstock blending and/or densification offers one promising solution to overcome current challenges on biomass supply, i.e., low energy and bulk densities and significant compositional variations. Therefore, it is imperative to develop conversion technologies that can process mixed pelleted biomass feedstocks with minimal negative impact in terms of overall performance of the relevant biorefinery unit operations: pretreatment, fermentable sugar production, and fuel titers. We processed the mixture of four feedstocks-corn stover, switchgrass, lodgepole pine, and eucalyptus (1:1:1:1 on dry weight basis)-in flour and pellet form using ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate, dilute sulfuric acid (DA), and soaking in aqueous ammonia (SAA) pretreatments. Commercial enzyme mixtures, including cellulases and hemicellulases, were then applied to these pretreated feedstocks at low to moderate enzyme loadings to determine hydrolysis efficiency. Results show significant variations on the chemical composition, crystallinity, and enzymatic digestibility of the pretreated feedstocks across the different pretreatment technologies studied. The advanced biofuel isopentenol was produced during simultaneous saccharification and fermentation (SSF) of pretreated feedstocks using an engineered Escherichia coli strain. Results show that IL pretreatment liberates the most sugar during enzymatic saccharification, and in turn led to the highest isopentenol titer as compared to DA and SAA pretreatments. This study provides insights on developing biorefinery technologies that produce advanced biofuels based on mixed feedstock streams.
C1 [Shi, Jian; George, Kevin W.; Sun, Ning; Stavila, Vitalie; Keasling, Jay D.; Simmons, Blake A.; Lee, Taek Soon; Singh, Seema] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Shi, Jian; Stavila, Vitalie; Simmons, Blake A.; Singh, Seema] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94551 USA.
[George, Kevin W.; Sun, Ning; Keasling, Jay D.; Lee, Taek Soon] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[He, Wei; Li, Chenlin] Lawrence Berkeley Natl Lab, ABPDU, Emeryville, CA USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
RP Singh, S (reprint author), Sandia Natl Labs, Biol & Mat Sci Ctr, 7011 East Ave, Livermore, CA 94551 USA.
EM seesing@sandia.gov
OI Simmons, Blake/0000-0002-1332-1810
FU Office of Science, Office of Biological and Environmental Research, of
the US Department of Energy [DE-AC02-05CH11231]; Office of Biomass
Program within the US DOE's Office of Energy Efficiency and Renewable
Energy; American Recovery and Reinvestment Act
FX This work conducted by the Joint BioEnergy Institute was supported by
the Office of Science, Office of Biological and Environmental Research,
of the US Department of Energy under Contract No. DE-AC02-05CH11231.
ABPDU acknowledges the funding support from Office of Biomass Program
within the US DOE's Office of Energy Efficiency and Renewable Energy,
and also the funding support from the American Recovery and Reinvestment
Act. We acknowledge Vicki S. Thompson and Neal A. Yancey from Idaho
National Laboratory for providing biomass feedstocks and Sonny Zhang for
lab assistance. We thank Novozymes for the gift of the enzyme mixtures
used in this study.
NR 38
TC 4
Z9 6
U1 7
U2 34
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1004
EP 1013
DI 10.1007/s12155-015-9588-z
PG 10
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400011
ER
PT J
AU Yee, KL
Rodriguez, M
Hamilton, CY
Hamilton-Brehm, SD
Thompson, OA
Elkins, JG
Davison, BH
Mielenz, JR
AF Yee, Kelsey L.
Rodriguez, Miguel, Jr.
Hamilton, Choo Y.
Hamilton-Brehm, Scott D.
Thompson, Olivia A.
Elkins, James G.
Davison, Brian H.
Mielenz, Jonathan R.
TI Fermentation of Dilute Acid Pretreated Populus by Clostridium
thermocellum, Caldicellulosiruptor bescii, and Caldicellulosiruptor
obsidiansis
SO BIOENERGY RESEARCH
LA English
DT Article
DE Clostridium thermocellum; Caldicellulosiruptor bescii;
Caldicellulosiruptor obsidiansis; Consolidated bioprocessing; Dilute
acid pretreated Populus; Thermophilic fermentation
ID FREE QUANTITATIVE PROTEOMICS; PLANT BIOMASS; HYDROGEN-PRODUCTION;
CELLULOSIC BIOMASS; ATCC 27405; SIMULTANEOUS SACCHARIFICATION;
CRYSTALLINE CELLULOSE; THERMOPHILIC BACTERIA; BIOFUEL PRODUCTION;
ETHANOL-PRODUCTION
AB Consolidated bioprocessing (CBP), which merges enzyme production, biomass hydrolysis, and fermentation into a single step, has the potential to become an efficient and economic strategy for the bioconversion of lignocellulosic feedstocks to transportation fuels or chemicals. In this study, we evaluated wild-type Clostridium thermocellum, Caldicellulosiruptor bescii, and Caldicellulosiruptor obsidiansis, three thermophilic, cellulolytic, mixed-acid fermenting candidate CBP microorganisms, for their fermentation capabilities using dilute acid pretreated Populus as a model biomass feedstock. Under pH-controlled anaerobic fermentation conditions, each candidate successfully digested a minimum of 75 % of the cellulose from dilute acid pretreated Populus, as indicated by an increase in planktonic cells and end-product metabolites and a concurrent decrease in glucan content. C. thermocellum, which employs a cellulosomal approach to biomass degradation, required approximately 50 h to achieve 75 % cellulose utilization. In contrast, the noncellulosomal, secreted hydrolytic enzyme system of the Caldicellulosiruptor sp. required about 100 h after a significant lag phase to achieve similar results. End-point fermentation conversions for C. thermocellum, C. bescii, and C. obsidiansis were determined to be 0.29, 0.34, and 0.38 g of total metabolites per gram of loaded glucan, respectively. These data provide a starting point for future strain engineering efforts that can serve to improve the biomass fermentation capabilities of these three promising candidate CBP platforms.
C1 [Yee, Kelsey L.; Rodriguez, Miguel, Jr.; Hamilton, Choo Y.; Hamilton-Brehm, Scott D.; Thompson, Olivia A.; Elkins, James G.; Davison, Brian H.; Mielenz, Jonathan R.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Yee, Kelsey L.; Rodriguez, Miguel, Jr.; Hamilton, Choo Y.; Hamilton-Brehm, Scott D.; Thompson, Olivia A.; Elkins, James G.; Davison, Brian H.; Mielenz, Jonathan R.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
[Hamilton, Choo Y.] Univ Tennessee, Inst Agr, Ctr Renewable Carbon, Knoxville, TN 37996 USA.
[Mielenz, Jonathan R.] White Cliff Biosyst, Rockwood, TN 37854 USA.
[Hamilton-Brehm, Scott D.] Dessert Res Inst, Div Earth & Ecosyst Sci, Las Vegas, NV 89119 USA.
[Yee, Kelsey L.] Genomat Inc, San Diego, CA 92121 USA.
RP Davison, BH (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
EM kelseylynnyee@gmail.com; rodriguezmjr@ornl.gov; chamilto@utk.edu;
Scott.HamiltonBrehm@dri.edu; oathompson12@gmail.com; elkinsjg@ornl.gov;
davisonbh@ornl.gov; biofuels4me@gmail.com
RI Davison, Brian/D-7617-2013;
OI Davison, Brian/0000-0002-7408-3609; Elkins, James G./0000-0002-8052-5688
FU Bioenergy Science Center (BESC), a US Department of Energy Bioenergy
Research Center - Office of Biological and Environmental Research in the
DOE Office of Science; DOE [DE-AC05-00OR22725]
FX This research was funded by the Bioenergy Science Center (BESC) which is
a US Department of Energy Bioenergy Research Center supported by the
Office of Biological and Environmental Research in the DOE Office of
Science. The pretreatment of the Populus sample was performed by Robert
Sykes and others at the National Renewable Energy Laboratory. ORNL is
managed by UT-Battelle, LLC, Oak Ridge, TN, USA, for the DOE under
contract DE-AC05-00OR22725.
NR 46
TC 1
Z9 1
U1 1
U2 14
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1014
EP 1021
DI 10.1007/s12155-015-9659-1
PG 8
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400012
ER
PT J
AU Bukhman, YV
DiPiazza, NW
Piotrowski, J
Shao, J
Halstead, AGW
Bui, MD
Xie, EH
Sato, TK
AF Bukhman, Yury V.
DiPiazza, Nathan W.
Piotrowski, Jeff
Shao, Jason
Halstead, Adam G. W.
Minh Duc Bui
Xie, Enhai
Sato, Trey K.
TI Modeling Microbial Growth Curves with GCAT
SO BIOENERGY RESEARCH
LA English
DT Article
DE Growth curves; Cell-based assays; HTS; Software
ID SACCHAROMYCES-CEREVISIAE; BACTERIAL-GROWTH; FERMENTATION; EQUATIONS
AB In this work, we introduce the Growth Curve Analysis Tool (GCAT). GCAT is designed to enable efficient analysis of high-throughput microbial growth curve data collected from cultures grown in microtiter plates. GCAT is accessible through a web browser, making it easy to use and operating system independent. GCAT implements fitting of global sigmoid curve models and local regression (LOESS) model. We assess the relative merits of these approaches using experimental data. Additionally, GCAT implements heuristics to deal with some peculiarities of growth curve data commonly encountered in bioenergy research. GCAT server is publicly available at http://gcat-pub.glbrc.org. The source code is available at http://code.google.com/p/gcat-hts/.
C1 [Bukhman, Yury V.; DiPiazza, Nathan W.; Piotrowski, Jeff; Minh Duc Bui; Xie, Enhai; Sato, Trey K.] Univ Wisconsin, Wisconsin Energy Inst, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
[Shao, Jason] Univ Washington, Dept Biostat, Seattle, WA 98195 USA.
[Halstead, Adam G. W.] Univ Wisconsin, Dept Med, Madison, WI 53705 USA.
RP Bukhman, YV (reprint author), Univ Wisconsin, Wisconsin Energy Inst, Great Lakes Bioenergy Res Ctr, 1552 Univ Ave, Madison, WI 53726 USA.
EM ybukhman@glbrc.wisc.edu
FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science)
[DE-FC02-07ER64494]
FX We gratefully acknowledge Drs. David Benton, Richard LeDuc, Peris
Navarro, and Steven Slater for encouragement and stimulating
discussions. James McCurdy and Michael H. Whitney contributed to GCAT
software development. Branden Timm was instrumental in the deployment of
GCAT software and gave valuable advice on security. This work was funded
by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of
Science DE-FC02-07ER64494).
NR 30
TC 3
Z9 3
U1 4
U2 23
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1022
EP 1030
DI 10.1007/s12155-015-9584-3
PG 9
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400013
ER
PT J
AU Wu, YW
Joshua, C
Eichorst, SA
Gladden, JM
Simmons, BA
Singer, SW
AF Wu, Yu-Wei
Joshua, Chijioke
Eichorst, Stephanie A.
Gladden, John M.
Simmons, Blake A.
Singer, Steven W.
TI Genomic Analysis of Xylose Metabolism in Members of the
Deinoccocus-Thermus Phylum from Thermophilic Biomass-Deconstructing
Bacterial Consortia
SO BIOENERGY RESEARCH
LA English
DT Article
DE Truepera; Metagenome; Xylan; Switchgrass; Consortium
ID GLYCOSIDE HYDROLASE ACTIVITIES; ACID-SEQUENCE SIMILARITIES;
CLASSIFICATION; SWITCHGRASS; FAMILY
AB Members of the phylum Deinoccocus-Thermus are adapted to grow under extremes of temperature and radiation. Some of these members have broad applications in biotechnology. However, the specific role of members of Deinoccocus-Thermus in plant biomass deconstruction remains largely unknown. Adaptations of thermophilic communities to grow on plant biomass substrates as the sole carbon source have consistently produced consortia with abundant populations affiliated with the Deinoccocus-Thermus. One of these populations was closely related to cultured isolates of Thermus thermophilus, while the second population, termed NIC-1, was distantly related to Truepera radiovictrix. NIC-1 was abundant in adapted cultures grown on xylan-rich substrates, while the T. thermophilus was virtually absent. To begin to understand the origin of this selection, genomic comparisons of xylan and xylose metabolism were undertaken between NIC-1, recovered from the metagenome obtained from an ammonia fiber expansion (AFEX)-pretreated switchgrass-adapted consortium and a T. thermophilus isolate from a related high temperature switchgrass adaptation. While both genomes indicated relatively limited capabilities to hydrolyze xylan, the NIC-1 genome had a putative operon for xylose utilization, while xylose metabolism genes were absent from the T. thermophilus genome. Comparison of multiple T. thermophilus genomes indicated that the genes for xylose metabolism were present on a plasmid in only one strain. Inspection of metagenomic dataset for adapted communities that contain T. thermophilus indicated that the plasmid is present in the T. thermophilus populations but may be lost upon isolation.
C1 [Wu, Yu-Wei; Joshua, Chijioke; Eichorst, Stephanie A.; Gladden, John M.; Simmons, Blake A.; Singer, Steven W.] Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA USA.
[Wu, Yu-Wei; Joshua, Chijioke; Eichorst, Stephanie A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Eichorst, Stephanie A.] Univ Vienna, Div Microbial Ecol, A-1090 Vienna, Austria.
[Gladden, John M.; Simmons, Blake A.] Sandia Natl Labs, Biol & Engn Sci Ctr, Livermore, CA USA.
[Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Singer, SW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
EM SWSinger@lbl.gov
RI Eichorst, Stephanie A/A-1079-2017
OI Eichorst, Stephanie A/0000-0002-9017-7461
FU US Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]; Office of Science of the US
Department of Energy [DE-AC02-05CH11231]
FX This work was performed as part of the DOE Joint BioEnergy Institute
(http://www.jbei.org) supported by the US Department of Energy, Office
of Science, Office of Biological and Environmental Research, through
contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory
and the US Department of Energy. Sequencing was conducted by the Joint
Genome Institute which is supported by the Office of Science of the US
Department of Energy under contract no. DE-AC02-05CH11231. We would like
to thank Susannah Tringe, Tijana Glavina Del Rio, and Stephanie Malfatti
of the Joint Genome Institute for their assistance in obtaining and
processing sequencing data.
NR 36
TC 1
Z9 1
U1 1
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1031
EP 1038
DI 10.1007/s12155-015-9600-7
PG 8
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400014
ER
PT J
AU Brumm, P
Land, ML
Hauser, LJ
Jeffries, CD
Chang, YJ
Mead, DA
AF Brumm, Phillip
Land, Miriam L.
Hauser, Loren J.
Jeffries, Cynthia D.
Chang, Yun-Juan
Mead, David A.
TI Complete Genome Sequence of Geobacillus strain Y4.1MC1, a Novel
CO-Utilizing Geobacillus thermoglucosidasius Strain Isolated from Bath
Hot Spring in Yellowstone National Park
SO BIOENERGY RESEARCH
LA English
DT Article
DE Carbon monoxide; Carbon fixation; Wood-Ljungdahl pathway; Yellowstone
National Park; Geobacillus thermoglucosidasius
ID CARBON-MONOXIDE; GEN. NOV.; RNA GENES; BACTERIA; STEAROTHERMOPHILUS;
DEHYDROGENASES; KAUSTOPHILUS; GENETICS; ACCURACY; SYSTEM
AB Geobacillus thermoglucosidasius Y4.1MC1 was isolated from a boiling spring in the lower geyser basin of Yellowstone National Park. This species is of interest because of its metabolic versatility. The genome consists of one circular chromosome of 3,840,330 bp and a circular plasmid of 71,617 bp with an average GC content of 44.01 %. The genome is available in the GenBank database (NC_014650.1 and NC_014651.1). In addition to the expected metabolic pathways for sugars and amino acids, the Y4.1MC1 genome codes for two separate carbon monoxide utilization pathways, an aerobic oxidation pathway and an anaerobic reductive acetyl CoA (Wood-Ljungdahl) pathway. This is the first report of a non-anaerobic organism with the Wood-Ljungdahl pathway. This anaerobic pathway permits the strain to utilize H-2 and fix CO2 present in the hot spring environment. Y4.1MC1 and its related species may play a significant role in carbon capture and sequestration in thermophilic ecosystems and may open up new routes to produce biofuels and chemicals from CO, H-2, and CO2.
C1 [Brumm, Phillip] C5 6 Technol Inc, Middleton, WI 53562 USA.
[Land, Miriam L.; Hauser, Loren J.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Jeffries, Cynthia D.; Chang, Yun-Juan] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Mead, David A.] Lucigen Corp, Middleton, WI USA.
RP Brumm, P (reprint author), C5 6 Technol Inc, Middleton, WI 53562 USA.
EM pbrumm@c56technologies.com
RI Land, Miriam/A-6200-2011
OI Land, Miriam/0000-0001-7102-0031
FU DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER)
[DE-FC02-07ER64494]; US Department of Energy's Office of Science,
Biological and Environmental Research Program; University of California,
Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence
Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National
Laboratory [DE-AC02-06NA25396]
FX This work was funded by the DOE Great Lakes Bioenergy Research Center
(DOE Office of Science BER DE-FC02-07ER64494). Sequencing work was
performed under the auspices of the US Department of Energy's Office of
Science, Biological and Environmental Research Program, and by the
University of California, Lawrence Berkeley National Laboratory under
contract No. DE-AC02-05CH11231, Lawrence Livermore National Laboratory
under Contract No. DE-AC52-07NA27344, and Los Alamos National Laboratory
under contract No. DE-AC02-06NA25396.
NR 37
TC 3
Z9 3
U1 1
U2 7
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1039
EP 1045
DI 10.1007/s12155-015-9585-2
PG 7
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400015
ER
PT J
AU Konda, NVSNM
Singh, S
Simmons, BA
Klein-Marcuschamer, D
AF Konda, N. V. S. N. Murthy
Singh, Seema
Simmons, Blake A.
Klein-Marcuschamer, Daniel
TI An Investigation on the Economic Feasibility of Macroalgae as a
Potential Feedstock for Biorefineries
SO BIOENERGY RESEARCH
LA English
DT Article
DE Macroalgae biorefinery; Technoeconomic analysis (TEA); Advanced
biofuels; Alginate extraction; Renewable sugars
ID PLANT SCALE EXTRACTION; IONIC LIQUID PRETREATMENT; MACROCYSTIS-PYRIFERA;
BIOFUEL PRODUCTION; LIGNOCELLULOSIC BIOFUELS; TECHNOECONOMIC ANALYSIS;
ENZYMATIC-HYDROLYSIS; ANAEROBIC-DIGESTION; ALGINIC ACID; CONVERSION
AB Macroalgal biomass has been considered as a prospective feedstock for biofuel production as, among other benefits, it is an abundant source of renewable sugars and its growth does not require arable land, fresh water, or intense care. Successful commercial deployment of macroalgae-based biorefineries, however, depends on their economic viability at industrial scales. A key objective of this study was to carry out a detailed technoeoconomic analysis (TEA) of a macroalgae biorefinery to understand the economic potential and cost drivers of macroalgae as a feedstock for the production of biofuels and biochemicals. Ethanol was used as a representative macroalgae-derived product, given the wealth of public information available to model this option, and the analysis was extended to biomass-derived sugars in order to explore the production of other fermentation-derived chemicals. Sensitivity analysis was performed on various cost drivers, such as macroalgae price, yield, solids loading, and enzyme loading during hydrolysis. With a feedstock price of $100/MT, depending on the maturity of the other key process parameters (i.e., yield, solids loading, and enzyme loading), the minimum ethanol selling price (MESP) was observed to be in the range of $3.6-8.5/gal and reduced to $2.9-7.5/gal with macroalgae priced at $50/MT. For production of chemicals, sugar prices were in the range of A cent 21-47/lb or A cent 16-40/lb with macroalgae priced at $100/MT and $50/MT, respectively. Given the challenging economics of the macroalgae biorefinery, coproduction of alginate was used to show the importance of multiple revenue sources, though issues regarding market saturation continue to arise when dealing with products of disparate market sizes.
C1 [Konda, N. V. S. N. Murthy; Klein-Marcuschamer, Daniel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Singh, Seema; Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94551 USA.
[Klein-Marcuschamer, Daniel] Univ Queensland, Dow Ctr Sustainable Engn Innovat, St Lucia, Qld, Australia.
RP Klein-Marcuschamer, D (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
EM MurthyKonda@lbl.gov; ssingh@lbl.gov; basimmons@lbl.gov; dklein@lbl.gov
OI Simmons, Blake/0000-0002-1332-1810
FU Office of Science, Office of Biological and Environmental Research of
the US Department of Energy [DE-AC02-05CH11231]; Statoil; Dow Centre for
Sustainable Engineering Innovation
FX This work conducted by the Joint BioEnergy Institute was supported by
the Office of Science, Office of Biological and Environmental Research
of the US Department of Energy under contract no. DE-AC02-05CH11231.
Financial support from Statoil is appreciated. DKM was partly funded by
the Dow Centre for Sustainable Engineering Innovation.
NR 35
TC 4
Z9 4
U1 7
U2 36
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1046
EP 1056
DI 10.1007/s12155-015-9594-1
PG 11
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400016
ER
PT J
AU Tanger, P
Vega-Sanchez, ME
Fleming, M
Tran, K
Singh, S
Abrahamson, JB
Jahn, CE
Santoro, N
Naredo, EB
Baraoidan, M
Danku, JMC
Salt, DE
McNally, KL
Simmons, BA
Ronald, PC
Leung, H
Bush, DR
McKay, JK
Leach, JE
AF Tanger, Paul
Vega-Sanchez, Miguel E.
Fleming, Margaret
Tran, Kim
Singh, Seema
Abrahamson, James B.
Jahn, Courtney E.
Santoro, Nicholas
Naredo, Elizabeth B.
Baraoidan, Marietta
Danku, John M. C.
Salt, David E.
McNally, Kenneth L.
Simmons, Blake A.
Ronald, Pamela C.
Leung, Hei
Bush, Daniel R.
McKay, John K.
Leach, Jan E.
TI Cell Wall Composition and Bioenergy Potential of Rice Straw Tissues Are
Influenced by Environment, Tissue Type, and Genotype
SO BIOENERGY RESEARCH
LA English
DT Article
DE Environmental variation; Mixed linkage glucan; Saccharification
efficiency; HRGPs; Density; Forage
ID NEUTRAL DETERGENT FIBER; ENZYMATIC SACCHARIFICATION;
CHEMICAL-COMPOSITION; BIOMASS COMPOSITION; LIGNIN CONTENT; BIOFUEL
PRODUCTION; GENETIC-VARIATION; SUGAR RELEASE; WHEAT-STRAW; CROSS-LINK
AB Breeding has transformed wild plant species into modern crops, increasing the allocation of their photosynthetic assimilate into grain, fiber, and other products for human use. Despite progress in increasing the harvest index, much of the biomass of crop plants is not utilized. Potential uses for the large amounts of agricultural residues that accumulate are animal fodder or bioenergy, though these may not be economically viable without additional efforts such as targeted breeding or improved processing. We characterized leaf and stem tissue from a diverse set of rice genotypes (varieties) grown in two environments (greenhouse and field) and report bioenergy-related traits across these variables. Among the 16 traits measured, cellulose, hemicelluloses, lignin, ash, total glucose, and glucose yield changed across environments, irrespective of the genotypes. Stem and leaf tissue composition differed for most traits, consistent with their unique functional contributions and suggesting that they are under separate genetic control. Plant variety had the least influence on the measured traits. High glucose yield was associated with high total glucose and hemicelluloses, but low lignin and ash content. Bioenergy yield of greenhouse-grown biomass was higher than field-grown biomass, suggesting that greenhouse studies overestimate bioenergy potential. Nevertheless, glucose yield in the greenhouse predicts glucose yield in the field (rho = 0.85, p < 0.01) and could be used to optimize greenhouse (GH) and field breeding trials. Overall, efforts to improve cell wall composition for bioenergy require consideration of production environment, tissue type, and variety.
C1 [Tanger, Paul; Jahn, Courtney E.; McKay, John K.; Leach, Jan E.] Colorado State Univ, Bioagr Sci & Pest Management, Ft Collins, CO 80523 USA.
[Vega-Sanchez, Miguel E.; Abrahamson, James B.; Ronald, Pamela C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Fleming, Margaret; Bush, Daniel R.] Colorado State Univ, Dept Biol, Ft Collins, CO 80523 USA.
[Tran, Kim; Singh, Seema; Simmons, Blake A.] Sandia Natl Labs, Livermore, CA USA.
[Santoro, Nicholas] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
[Naredo, Elizabeth B.; Baraoidan, Marietta; McNally, Kenneth L.; Leung, Hei] Int Rice Res Inst, Los Banos, Laguna, Philippines.
[Danku, John M. C.; Salt, David E.] Univ Aberdeen, Inst Biol & Environm Sci, Aberdeen, Scotland.
[Ronald, Pamela C.] Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA.
[Ronald, Pamela C.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Vega-Sanchez, Miguel E.; Tran, Kim; Singh, Seema; Abrahamson, James B.; Simmons, Blake A.; Ronald, Pamela C.] Joint BioEnergy Inst, Emeryville, CA USA.
RP Leach, JE (reprint author), Colorado State Univ, Bioagr Sci & Pest Management, 1177 Campus Delivery, Ft Collins, CO 80523 USA.
EM jan.leach@colostate.edu
RI Danku, John/C-3477-2014; McKay, John/K-3875-2012;
OI Danku, John/0000-0002-5103-3852; McKay, John/0000-0003-4311-5513;
McNally, Kenneth/0000-0002-9613-5537; Tanger, Paul/0000-0002-4991-4108;
Simmons, Blake/0000-0002-1332-1810
FU Office of Science, Office of Biological and Environmental Research of
the U.S. Department of Energy (DOE-BER) [DE-FG02-08ER64629];
International Rice Research Institute (IRRI); U.S. Agency for
International Development (USAID) Linkage grant [DRPC2011-42]; U.S.
Department of Agriculture National Institute of Food and Agriculture
(USDA-NIFA) [2008-35504-0485]; Colorado State University Energy
Institute, Department of Energy Great Lakes Bioenergy Research Center
Office of Science [DE-FC02-07ER64494]; DOE-BER [DE-AC02-05CH11231]; U.S.
National Science Foundation (NSF) [IOS 0701119]
FX We thank members of the authors' labs for technical assistance with
sample preparation and Jim ZumBrunnen from the Colorado State University
Statistics Department for assistance with statistical analyses. This
research was funded with support from Office of Science, Office of
Biological and Environmental Research of the U.S. Department of Energy
(DOE-BER) under Contract No. DE-FG02-08ER64629, International Rice
Research Institute (IRRI) and U.S. Agency for International Development
(USAID) Linkage grant DRPC2011-42, U.S. Department of Agriculture
National Institute of Food and Agriculture (USDA-NIFA) award
2008-35504-0485, the Colorado State University Energy Institute,
Department of Energy Great Lakes Bioenergy Research Center Office of
Science Grant DE-FC02-07ER64494, and the Joint BioEnergy Institute
supported by DOE-BER under Contract No. DE-AC02-05CH11231 and U.S.
National Science Foundation (NSF), Plant Genome Research Program Grant
#IOS 0701119.
NR 83
TC 3
Z9 3
U1 4
U2 33
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1165
EP 1182
DI 10.1007/s12155-014-9573-y
PG 18
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400024
ER
PT J
AU Stoklosa, RJ
Hodge, DB
AF Stoklosa, Ryan J.
Hodge, David B.
TI Fractionation and Improved Enzymatic Deconstruction of Hardwoods with
Alkaline Delignification
SO BIOENERGY RESEARCH
LA English
DT Article
DE Delignification; Alkaline pretreatment; Lignin; Xylan; Soda pulping
ID CORN STOVER; LIGNOCELLULOSIC BIOFUELS; PRETREATMENT; KRAFT; HYDROLYSIS;
WOOD; ETHANOL; BIOMASS; POPLAR; LIGNIN
AB In this work, an alkaline delignification was investigated for several industrially relevant hardwoods to understand the kinetics of xylan solubilization and degradation and the role of residual lignin content in setting cell wall recalcitrance to enzymatic hydrolysis. Between 34 and 50 % of the xylan was solubilized during the heat-up stage of the pretreatment and undergoes degradation, depolymerization, as well as substantial disappearance of the glucuronic acid substitutions on the xylan during the bulk delignification phase. An important finding is that substantial xylan is still present in the liquor without degradation. Cellulose hydrolysis yields in the range of 80 to 90 % were achievable within 24-48 h for the diverse hardwoods subjected to delignification by alkali at modest enzyme loadings. It was found that substantial delignification was not necessary to achieve these high hydrolysis yields and that hybrid poplar subjected to pretreatment removing only 46 % of the lignin was capable of reaching yields comparable to hybrid poplar pretreated to 67 or 86 % lignin removal. Decreasing the lignin content was found to increase the initial rate of cellulose hydrolysis to glucose while lignin contents under approximately 70 mg/g original biomass were found to slightly decrease the maximum extent of hydrolysis, presumably due to drying-induced cellulose aggregation and pore collapse. Pretreatments were performed on woodchips, which necessitated a "disintegration" step following pretreatment. This allowed the effect of comminution method to be investigated for the three hardwoods subjected to the highest level of delignification. It was found that additional knife-milling following distintegration did not impact either the rate or extent of glucan and xylan hydrolysis.
C1 [Stoklosa, Ryan J.; Hodge, David B.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA.
[Stoklosa, Ryan J.; Hodge, David B.] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
[Hodge, David B.] Michigan State Univ, Dept Biosyst & Agr Engn, E Lansing, MI 48824 USA.
[Hodge, David B.] Lulea Univ Technol, Div Sustainable Proc Engn, S-95187 Lulea, Sweden.
RP Hodge, DB (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA.
EM hodgeda@egr.msu.edu
FU Northeast Sun Grant Initiative; NSF Due Grant [0757020]
FX Ryan Stoklosa was supported in part by funding from the Northeast Sun
Grant Initiative. Natassa Christides (Michigan State University
Department of Chemical Engineering and Materials Science) provided
laboratory assistance and was supported by an NSF Due Grant (#0757020).
NR 47
TC 9
Z9 9
U1 2
U2 21
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1224
EP 1234
DI 10.1007/s12155-015-9579-0
PG 11
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400029
ER
PT J
AU Grabber, JH
Santoro, N
Foster, CE
Elumalai, S
Ralph, J
Pan, XJ
AF Grabber, John H.
Santoro, Nicholas
Foster, Cliff E.
Elumalai, Sasikumar
Ralph, John
Pan, Xuejun
TI Incorporation of Flavonoid Derivatives or Pentagalloyl Glucose into
Lignin Enhances Cell Wall Saccharification Following Mild Alkaline or
Acidic Pretreatments
SO BIOENERGY RESEARCH
LA English
DT Article
DE Monolignols; Genetic engineering; Pretreatment; Enzymatic hydrolysis;
Cellulosic biofuel
ID ENZYMATIC DEGRADATION; BIOFUEL PRODUCTION; MAIZE; DELIGNIFICATION;
IMPLEMENTATION; DIGESTIBILITY; LIGNIFICATION; GRASSES; PLANTS; CROPS
AB Partial substitution of normal monolignols with phenolic precursors from other metabolic pathways may improve the susceptibility of lignified biomass to chemical pretreatment and enzymatic saccharification for biofuel production. Flavonoids and gallate esters readily undergo oxidative coupling reactions, suggesting they could serve as alternate monomers for forming lignin in plants. To test this premise, primary cell walls of Zea mays (L.) were artificially lignified with normal monolignols plus various flavan-3-ol/phenolic ester derivatives, flavonol glycoside/gallate ester derivatives, or pentagalloyl glucose added as 0 or 45 % of the precursor mixture. Most alternate monomers readily copolymerized with normal monolignols, but wall-bound lignin was most efficiently formed with epicatechin, epicatechin gallate, epigallocatechin gallate, or hyperoside. Yields of glucose from a high-throughput digestibility platform were used to examine how lignin modifications affected the susceptibility of cell walls to enzymatic hydrolysis following alkaline or acidic pretreatments of different severities. With the exception of hyperoside, incorporation of alternate monomers into lignin improved yields of enzymatically released glucose by 18-60 % after mild alkaline pretreatment and by 6-34 % after mild acid pretreatment. Responses due to lignin modification diminished as pretreatment severity increased. Overall, our results suggest that apoplastic deposition of pentagalloyl glucose or gallated flavan-3-ols such as epicatechin gallate or epigallocatechin gallate for incorporation into lignin could be promising plant genetic engineering targets for improving sugar yields from grass biomass crops that are subjected to low-temperature alkaline pretreatments.
C1 [Grabber, John H.] USDA ARS, US Dairy Forage Res Ctr, Madison, WI 53706 USA.
[Santoro, Nicholas; Foster, Cliff E.] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48823 USA.
[Elumalai, Sasikumar; Pan, Xuejun] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53706 USA.
[Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, Dept Biochem, Madison, WI 53726 USA.
[Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
RP Grabber, JH (reprint author), USDA ARS, US Dairy Forage Res Ctr, 1925 Linden Dr West, Madison, WI 53706 USA.
EM john.grabber@ars.usda.gov
FU Stanford University's Global Climate and Energy Project (GCEP);
USDA-ARS; DOE Great Lakes Bioenergy Research Center (DOE BER Office of
Science) [DE-FC02-07ER64494]
FX This work was funded by Stanford University's Global Climate and Energy
Project (GCEP) and by USDA-ARS in-house funds. CF, NS, and JR were
funded by the DOE Great Lakes Bioenergy Research Center (DOE BER Office
of Science DE-FC02-07ER64494). The authors thank Novozymes (Franklinton,
NC) for generously providing enzymes for this research. Mention of trade
names or commercial products in this publication is solely for the
purpose of providing specific information and does not imply
recommendation or endorsement by the U.S. Department of Agriculture.
NR 37
TC 1
Z9 1
U1 4
U2 10
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1939-1234
EI 1939-1242
J9 BIOENERG RES
JI BioEnergy Res.
PD SEP
PY 2015
VL 8
IS 3
BP 1391
EP 1400
DI 10.1007/s12155-015-9605-2
PG 10
WC Energy & Fuels; Environmental Sciences
SC Energy & Fuels; Environmental Sciences & Ecology
GA CQ7GG
UT WOS:000360770400045
ER
PT J
AU Pandini, A
Kleinjung, J
Taylor, WR
Junge, W
Khan, S
AF Pandini, Alessandro
Kleinjung, Jens
Taylor, Willie R.
Junge, Wolfgang
Khan, Shahid
TI The Phylogenetic Signature Underlying ATP Synthase c-Ring Compliance
SO BIOPHYSICAL JOURNAL
LA English
DT Article
ID ELASTIC POWER TRANSMISSION; F-O SECTOR; SUBUNIT C; PROTEIN STRUCTURES;
CROSS-LINKING; ROTOR RING; ALLOSTERIC COMMUNICATION;
ILYOBACTER-TARTARICUS; RESIDUE CONSERVATION; SEQUENCE ALIGNMENTS
AB The proton-driven ATP synthase (FOF1) is comprised of two rotary, stepping motors (F-O and F-1) coupled by an elastic power transmission. The elastic compliance resides in the rotor module that includes the membrane-embedded FO c-ring. Proton transport by FO is firmly coupled to the rotation of the c-ring relative to other FO subunits (ab(2)). It drives ATP synthesis. We used a computational method to investigate the contribution of the c-ring to the total elastic compliance. We performed principal component analysis of conformational ensembles built using distance constraints from the bovine mitochondrial c-ring x-ray structure. Angular rotary twist, the dominant ring motion, was estimated to show that the c-ring accounted in part for the measured compliance. Ring rotation was entrained to rotation of the external helix within each hairpin-shaped c-subunit in the ring. Ensembles of monomer and dimers extracted from complete c-rings showed that the coupling between collective ring and the individual subunit motions was independent of the size of the c-ring, which varies between organisms. Molecular determinants were identified by covariance analysis of residue coevolution and structural-alphabet-based local dynamics correlations. The residue coevolution gave a readout of subunit architecture. The dynamic couplings revealed that the hinge for both ring and subunit helix rotations was constructed from the proton-binding site and the adjacent glycine motif (IB-GGGG) in the midmembrane plane. IB-GGGG motifs were linked by long-range couplings across the ring, while intrasubunit couplings connected the motif to the conserved cytoplasmic loop and adjacent segments. The correlation with principal collective motions shows that the couplings underlie both ring rotary and bending motions. Noncontact couplings between IB-GGGG motifs matched the coevolution signal as well as contact couplings. The residue coevolution reflects the physiological importance of the dynamics that may link proton transfer to ring compliance.
C1 [Pandini, Alessandro] Brunel Univ London, Dept Comp Sci & Synthet Biol Theme, Uxbridge, Middx, England.
[Kleinjung, Jens; Taylor, Willie R.] Francis Crick Inst, Math Biol, London, England.
[Junge, Wolfgang] Univ Osnabruck, Dept Biophys, Osnabruck, Germany.
[Khan, Shahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biol Consortium, Berkeley, CA 94720 USA.
RP Khan, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biol Consortium, Berkeley, CA 94720 USA.
EM khan@mbc-als.org
RI Pandini, Alessandro/F-9854-2012
OI Pandini, Alessandro/0000-0002-4158-233X
FU Molecular Biology Consortium; Land Niedersachsen
(Niedersachsen-Professur); Medical Research Council [U117581331]; Royal
Society [U1175-70592]
FX This work was supported by seed funds to S.K. from the Molecular Biology
Consortium. W.J. acknowledges financial support from the Land
Niedersachsen (Niedersachsen-Professur). Additional support was provided
by a Medical Research Council grant (U117581331) to J.K. and W.R.T., and
Royal Society collaborative exchange grant No. U1175-70592 to S.K. and
Dr. Justin E. Molloy.
NR 79
TC 2
Z9 2
U1 0
U2 6
PU CELL PRESS
PI CAMBRIDGE
PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA
SN 0006-3495
EI 1542-0086
J9 BIOPHYS J
JI Biophys. J.
PD SEP 1
PY 2015
VL 109
IS 5
BP 975
EP 987
DI 10.1016/j.bpj.2015.07.005
PG 13
WC Biophysics
SC Biophysics
GA CQ9UK
UT WOS:000360960500015
PM 26331255
ER
PT J
AU Fluitt, AM
de Pablo, JJ
AF Fluitt, Aaron M.
de Pablo, Juan J.
TI An Analysis of Biomolecular Force Fields for Simulations of
Polyglutamine in Solution
SO BIOPHYSICAL JOURNAL
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; PROTEIN-FOLDING SIMULATIONS; PARTICLE
MESH EWALD; AGGREGATION NUCLEATION; NEURODEGENERATIVE DISEASES;
MONOMERIC POLYGLUTAMINE; INFRARED-SPECTROSCOPY; SECONDARY STRUCTURE;
MONTE-CARLO; CAG REPEAT
AB Polyglutamine (polyQ) peptides are a useful model system for biophysical studies of protein folding and aggregation, both for their intriguing aggregation properties and their own relevance to human disease. The genetic expansion of a polyQ tract triggers the formation of amyloid aggregates associated with nine neurodegenerative diseases. Several clearly identifiable and separable factors, notably the length of the polyQ tract, influence the mechanism of aggregation, its associated kinetics, and the ensemble of structures formed. Atomistic simulations are well positioned to answer open questions regarding the thermodynamics and kinetics of polyQ folding and aggregation. The additional, explicit representation of water permits deeper investigation of the role of solvent dynamics, and it permits a direct comparison of simulation results with infrared spectroscopy experiments. The generation of meaningful simulation results hinges on satisfying two essential criteria: achieving sufficient conformational sampling to draw statistically valid conclusions, and accurately reproducing the intermolecular forces that govern system structure and dynamics. In this work, we examine the ability of 12 biomolecular force fields to reproduce the properties of a simple, 30-residue polyQ peptide (Q(30)) in explicit water. In addition to secondary and tertiary structure, we consider generic structural properties of polymers that provide additional dimensions for analysis of the highly degenerate disordered states of the molecule. We find that the 12 force fields produce a wide range of predictions. We identify AMBER ff99SB, AMBER ff99SB*, and OPLS-AA/L to be most suitable for studies of polyQ folding and aggregation.
C1 [Fluitt, Aaron M.; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
[de Pablo, Juan J.] Argonne Natl Lab, Lemont, IL USA.
RP de Pablo, JJ (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
EM depablo@uchicago.edu
FU NSF [CBET-1264021, DGE-0718123]; Biological Sciences Division of the
University of Chicago; Argonne National Laboratory [1S10OD018495-01];
NIH
FX This work was supported by NSF CBET-1264021. Some of the results
presented in this work were obtained using the computational resources
of the Research Computing Center at the University of Chicago.
Simulations were also performed on the Beagle supercomputer, which is
supported by NIH through resources provided by the Computation Institute
and the Biological Sciences Division of the University of Chicago and
Argonne National Laboratory under grant 1S10OD018495-01. We specifically
acknowledge the assistance of Dr. Lorenzo Pesce and Ana Marija Sokovic.
A.M.F. acknowledges the support of NSF DGE-0718123.
NR 100
TC 3
Z9 3
U1 3
U2 18
PU CELL PRESS
PI CAMBRIDGE
PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA
SN 0006-3495
EI 1542-0086
J9 BIOPHYS J
JI Biophys. J.
PD SEP 1
PY 2015
VL 109
IS 5
BP 1009
EP 1018
DI 10.1016/j.bpj.2015.07.018
PG 10
WC Biophysics
SC Biophysics
GA CQ9UK
UT WOS:000360960500018
PM 26331258
ER
PT J
AU Horvat, K
Mahajan, D
AF Horvat, Kristine
Mahajan, Devinder
TI Carbon dioxide-induced liberation of methane from laboratory-formed
methane hydrates
SO CANADIAN JOURNAL OF CHEMISTRY
LA English
DT Article
DE sediment hosted hydrates; gas exchange in hydrates; methane hydrate;
carbon dioxide hydrate; carbon sequestration
ID GAS HYDRATE; KINETICS; CO2; DISSOCIATION; STORAGE; CH4; REPLACEMENT;
NUCLEATION
AB This paper reports a laboratory mimic study that focused on the extraction of methane (CH4) from hydrates coupled with sequestration of carbon dioxide (CO2) as hydrates, by taking advantage of preferential thermodynamic stability of hydrates of CO2 over CH4. Five hydrate formation-decomposition runs focused on CH4-CO2 exchange, two baselines and three with host sediments, were performed in a 200 mL high-pressure Jerguson cell fitted with two glass windows that allowed visualization of the time-resolved hydrate phenomenon. The baseline pure hydrates formed from artificial seawater (75 mL) under 6400-6600 kPa CH4 or 2800-3200 kPa CO2 (hydrate forming regime), when the bath temperature was maintained within 4-6 degrees C and the gas/liquid volumetric ratio was similar to 1.7:1 in the water-excess systems. The data show that the induction time for hydrate appearance was largest at 96 h with CH4, while with CO2 the time shortened by a factor of four. However, when the secondary gas (CO2 or CH4) was injected into the system containing preformed hydrates, the entering gas formed the hydrate phase instantly (within minutes) and no lag was observed. In a system containing host Ottawa sand (104 g) and artificial seawater (38 mL), the induction period reduced to 24 h. In runs with multiple charges, the extent of hydrate formation reached 44% of the theoretical value in the water-excess system, whereas the value maximized at 23% in the gas-excess system. The CO2 hydrate formation in a system that already contained CH4 hydrates was facile and they remained stable, whereas CH4 hydrate formation in a system consisting of CO2 hydrates as hosts were initially stable, but CH4 gas in hydrates quickly exchanged with free CO2 gas to form more stable CO2 hydrates. In all five runs, even though the system was depressurized, left for over a week at room temperature, and flushed with nitrogen gas in between runs, hydrates exhibited the "memory effect", irrespective of the gas used, a result in contradiction with that reported previously in the literature. The facile CH4-CO2 exchange observed under temperature and pressure conditions that mimic naturally occurring CH4 hydrates show promise to develop a commercial carbon sequestration system.
C1 [Horvat, Kristine] SUNY Stony Brook, Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Mahajan, Devinder] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
RP Mahajan, D (reprint author), Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA.
EM dmahajan@bnl.gov
FU Office of Vice-President of Research (OVPR) at Stony Brook University;
Brookhaven National Laboratory
FX The authors thank the Office of Vice-President of Research (OVPR) at
Stony Brook University for providing funds for the work. The work was
partially supported by the Program Development funds at Brookhaven
National Laboratory.
NR 29
TC 1
Z9 1
U1 8
U2 16
PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS
PI OTTAWA
PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA
SN 0008-4042
EI 1480-3291
J9 CAN J CHEM
JI Can. J. Chem.
PD SEP
PY 2015
VL 93
IS 9
SI SI
BP 998
EP 1006
DI 10.1139/cjc-2014-0562
PN 2
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA CQ8VS
UT WOS:000360888500013
ER
PT J
AU Stappert, K
Muthmann, J
Spielberg, ET
Mudring, AV
AF Stappert, Kathrin
Muthmann, Johanna
Spielberg, Eike T.
Mudring, Anja-Verena
TI Azobenzene-Based Organic Salts with Ionic Liquid and Liquid Crystalline
Properties
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID FILMS; SURFACTANTS; ANISOTROPY; SOLVENTS; BEHAVIOR; STORAGE
AB Two sets of new azobenzene-based bromide salts are synthesized, and their thermal photochromic properties are studied. Both sets are based on the imidazolium cation. The first set (1) features a symmetric biscation where two imidazolium head groups (Im) with different alkyl chains (Cn) are connected to a central azobenzene unit (Azo): [Azo(C1-Im-Cn)(2)]; n = 6, 8, 10, 12, 14. The other one contains an n-alkyl-imidazolium cation (Cn-Im) bearing a terminal azobenzene unit (C1-Azo) substituted with an alkoxy chain (O-Cm) of either two (2) or six (3) carbon atoms: [C1-Azo-O-Cm-Im-Cn]; m = 2, n = 8, 10, 12 and m = 6, n = 8, 10, 12, 14, 16. For both cation classes, the influence of alkyl chains of varying length on the thermal phase behavior was investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POW. For five compounds (Azo(-C1-Im-C12)(2) (Id), Azo(-C1-Im-C12)(2) (1e), C1-Azo-O-C2-Im-C10 (2b), C1-Azo-O-C2-Im-C12 (2c), and C1-Azo-O-C6-Im-C16 (3e)), the formation of a liquid crystalline phase was observed. The biscationic salts (1) are all comparatively high melting organic salts (180-240 degrees C), and only the two representatives with long alkylchains (C12 and C14) exhibit liquid crystallinity. The monocationic salts with an O-C2 bridge (2) melt between 140 and 170 degrees C depending on the alkyl chain length, but from an alkyl chain of 10 and more carbon atoms on they form a smectic A liquid crystalline phase. The representatives of the third set with a O-C6 bridge qualify as ionic liquids with melting points less than 100 degrees C. However, only the representative with a hexadecyl chain forms a liquid crystalline phase. Representative single crystals for all sets of cations could be grown that allowed for single crystal structure analysis. Together with small-angle X-ray scattering experiments they allow for a more detailed understanding of the thermal properties. Through irradiation with UV-light (320-366 nm) all compounds undergo trans-cis isomerization, which reverses under visible light (440 nm).
C1 [Stappert, Kathrin; Muthmann, Johanna; Spielberg, Eike T.; Mudring, Anja-Verena] Ruhr Univ Bochum, Fak Chem & Biochem, Anorgan Chem Mat Engn & Characterizat 3, D-44780 Bochum, Germany.
[Spielberg, Eike T.; Mudring, Anja-Verena] Univ Duisburg Essen, Univ Bibliothek, D-45141 Essen, Germany.
[Mudring, Anja-Verena] Crit Mat Inst, Ames Lab, Ames, IA 50011 USA.
[Mudring, Anja-Verena] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
RP Mudring, AV (reprint author), Ruhr Univ Bochum, Fak Chem & Biochem, Anorgan Chem Mat Engn & Characterizat 3, D-44780 Bochum, Germany.
EM anja.mudring@ruhr-uni-bochum.de
OI Spielberg, Eike Torben/0000-0002-3333-5814
FU German Science Foundation DFG; Iowa State University; Critical Materials
Institute, an Energy Innovation Hub - U.S. Department of Energy, Office
of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office
FX This work was supported in part by the German Science Foundation DFG,
Iowa State University, and the Critical Materials Institute, an Energy
Innovation Hub funded by the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, Advanced Manufacturing Office.
NR 38
TC 4
Z9 4
U1 7
U2 31
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1528-7483
EI 1528-7505
J9 CRYST GROWTH DES
JI Cryst. Growth Des.
PD SEP
PY 2015
VL 15
IS 9
BP 4701
EP 4712
DI 10.1021/acs.cgd.5b01024
PG 12
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA CQ8OI
UT WOS:000360867300060
ER
PT J
AU Bourg, IC
Beckingham, LE
DePaolo, DJ
AF Bourg, Ian C.
Beckingham, Lauren E.
DePaolo, Donald J.
TI The Nanoscale Basis of CO2 Trapping for Geologic Storage
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Review
ID REACTIVE-SURFACE-AREA; DEEP SALINE AQUIFERS; SUPERCRITICAL
CARBON-DIOXIDE; CONTACT-ANGLE MEASUREMENTS; INTERFACIAL
DISSOLUTION-REPRECIPITATION; MOLECULAR-DYNAMICS SIMULATION; NORWEGIAN
CONTINENTAL-SHELF; DEPLETED GAS-RESERVOIR; X-RAY-DIFFRACTION; TOP-SEAL
LEAKAGE
AB Carbon capture and storage (CCS) is likely to be a critical technology to achieve large reductions in global carbon emissions over the next century. Research on the subsurface storage of CO2 is aimed at reducing uncertainties in the efficacy of CO2 storage in sedimentary rock formations. Three key parameters that have a nanoscale basis and that contribute uncertainty to predictions of CO2 trapping are the vertical permeability k(v) of seals, the residual CO2 saturation S-g,S-r in reservoir rocks, and the reactive surface area a(r) of silicate minerals. This review summarizes recent progress and identifies outstanding research needs in these areas. Available data suggest that the permeability of shale and mudstone seals is heavily dependent on clay fraction and can be extremely low even in the presence of fractures. Investigations of residual CO2 trapping indicate that CO2-induced alteration in the wettability of mineral surfaces may significantly influence S-g,S-r. Ultimately, the rate and extent of CO2 conversion to mineral phases are uncertain due to a poor understanding of the kinetics and fluids. Rapidly improving characterization techniques using X-rays and neutrons, and computing capability for simulating chemical interactions, provide promise for important advances.
C1 [Bourg, Ian C.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA.
[Bourg, Ian C.] Princeton Univ, Princeton Environm Inst, Princeton, NJ 08544 USA.
[Bourg, Ian C.; Beckingham, Lauren E.; DePaolo, Donald J.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Bourg, IC (reprint author), Princeton Univ, Dept Civil & Environm Engn, E-208 E Quad, Princeton, NJ 08544 USA.
EM bourg@princeton.edu
OI Bourg, Ian/0000-0002-5265-7229
FU Center for Nanoscale Control of Geologic CO2 (NCGC); US Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-05CH11231]
FX This research was performed under the auspices of the Center for
Nanoscale Control of Geologic CO2 (NCGC), an Energy Frontiers
Research Center funded by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences under Award Number
DE-AC02-05CH11231. The lead author is grateful to Drs. Michael Celia
(Princeton), Curtis Oldenburg (LBNL), and Catherine Peters (Princeton)
for providing advice on an early draft of the manuscript.
NR 416
TC 9
Z9 9
U1 17
U2 83
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 SEP 1
PY 2015
VL 49
IS 17
BP 10265
EP 10284
DI 10.1021/acs.est.5b03003
PG 20
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CQ7HM
UT WOS:000360773600002
PM 26266820
ER
PT J
AU Warren, JA
Riddle, ME
Graziano, DJ
Das, S
Upadhyayula, VKK
Masanet, E
Cresko, J
AF Warren, Joshua A.
Riddle, Matthew E.
Graziano, Diane J.
Das, Sujit
Upadhyayula, Venkata K. K.
Masanet, Eric
Cresko, Joe
TI Energy Impacts of Wide Band Gap Semiconductors in US Light-Duty Electric
Vehicle Fleet
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID LIFE-CYCLE ASSESSMENT; PLUG-IN HYBRID; CONSUMPTION; POWER; TECHNOLOGIES;
ELECTRONICS; DEVICES; GROWTH; CARBON; MODEL
AB Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.
C1 [Warren, Joshua A.; Das, Sujit] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Riddle, Matthew E.; Graziano, Diane J.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Upadhyayula, Venkata K. K.; Masanet, Eric] Northwestern Univ, Evanston, IL 60208 USA.
[Cresko, Joe] US DOE, Washington, DC 20585 USA.
RP Das, S (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM dass@ornl.gov
RI Masanet, Eric /I-5649-2012
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Industry Energy Futures Program
FX Research sponsored by the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, Industry Energy Futures Program.
NR 54
TC 0
Z9 0
U1 2
U2 11
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 SEP 1
PY 2015
VL 49
IS 17
BP 10294
EP 10302
DI 10.1021/acs.est.5b01627
PG 9
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CQ7HM
UT WOS:000360773600004
PM 26247853
ER
PT J
AU Stewart, BD
Cismasu, AC
Williams, KH
Peyton, BM
Nico, PS
AF Stewart, Brandy D.
Cismasu, A. Cristina
Williams, Kenneth H.
Peyton, Brent M.
Nico, Peter S.
TI Reactivity of Uranium and Ferrous Iron with Natural Iron Oxyhydroxides
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID ORGANIC-MATTER; FERRIHYDRITE; MINE; TRANSFORMATION; REDUCTION;
SEDIMENTS; SOILS; GROUNDWATER; OXIDES; FE
AB Determining key reaction pathways involving uranium and iron oxyhydroxides under oxic and anoxic conditions is essential for understanding uranium mobility as well as other iron oxyhydroxide mediated processes, particularly near redox boundaries where redox conditions change rapidly in time and space. Here we examine the reactivity of a ferrihydrite-rich sediment from a surface seep adjacent to a redox boundary at the Rifle, Colorado field site. Iron(II)-sediment incubation experiments indicate that the natural ferrihydrite fraction of the sediment is not susceptible to reductive transformation under conditions that trigger significant mineralogical transformations of synthetic ferrihydrite. No measurable Fe(II)promoted transformation was observed when the Rifle sediment was exposed to 30 mM Fe(II) for up to 2 weeks. Incubation of the Rifle sediment with 3 mM Fe(II) and 0.2 mM U(VI) for 15 days shows no measurable incorporation of U(VI) into the mineral structure or reduction of U(VI) to U(IV). Results indicate a significantly decreased reactivity of naturally occurring Fe oxyhydroxides as compared to synthetic minerals, likely due to the association of impurities (e.g., Si, organic matter), with implications for the mobility and bioavailability of uranium and other associated species in field environments.
C1 [Stewart, Brandy D.; Peyton, Brent M.] Montana State Univ, Chem & Biol Engn, Bozeman, MT 59717 USA.
[Cismasu, A. Cristina; Williams, Kenneth H.; Nico, Peter S.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Nico, PS (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
EM psnico@lbl.gov
RI Nico, Peter/F-6997-2010; Williams, Kenneth/O-5181-2014;
OI Nico, Peter/0000-0002-4180-9397; Williams, Kenneth/0000-0002-3568-1155;
Peyton, Brent/0000-0003-0033-0651
FU U.S. Department of Energy (DOE), Office of Science, Office of Biological
and Environmental Research [DE-FG02-07ER-6436, DE-AC02-05CH11231];
Lawrence Berkeley National Laboratory's Sustainable Systems Scientific
Focus Area
FX We thank Aaron Slowey and Michael Massey for assistance with XAS data
collection. This research was funded by the U.S. Department of Energy
(DOE), Office of Science, Office of Biological and Environmental
Research under contracts DE-FG02-07ER-6436 (Montana State University)
and DE-AC02-05CH11231 (Lawrence Berkeley National Laboratory; operated
by the University of California) and is partially based upon work
supported through the Lawrence Berkeley National Laboratory's
Sustainable Systems Scientific Focus Area.
NR 55
TC 1
Z9 1
U1 5
U2 46
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 SEP 1
PY 2015
VL 49
IS 17
BP 10357
EP 10365
DI 10.1021/acs.est.5b02645
PG 9
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CQ7HM
UT WOS:000360773600011
PM 26226398
ER
PT J
AU Pavovic, J
Holder, AL
Yelyerton, TLB
AF Pavovic, Jelica
Holder, Amara L.
Yelyerton, Tiffany L. B.
TI Effects of Aftermarket Control Technologies on Gas and Particle Phase
Oxidative Potential from Diesel Engine Emissions
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID OXYGEN SPECIES ROS; PROFLUORESCENT NITROXIDE PROBE; AIRBORNE PARTICULATE
MATTER; PERSISTENT FREE-RADICALS; ULTRAFINE PARTICLES; CIGARETTE-SMOKE;
REDOX ACTIVITY; EXHAUST; AEROSOLS; NANOPARTICLES
AB Particulate matter (PM) originating from diesel combustion is a public health concern due to its association with adverse effects on respiratory and cardiovascular diseases and lung cancer. This study investigated emissions from three stationary diesel engines (genets) and varying power output (230 kW, 400 kW, and 600 kW) at 50% and 90% load to determine concentrations of gaseous (GROS) and PM reactive oxygen species (PMROS). In addition, the influence of three modern emission control technologies on ROS emissions was evaluated: active and passive diesel particulate filters (A-DPF and P-DPF) and a diesel oxidation catalyst (DOC). PMROS made up 30-50% of the total ROS measured without aftermarket controls. All applied controls removed PMROS by more than 75% on average. However, the oxidative potential of PM downstream of these devices was not diminished at the same rate and particles surviving the A-PDF had an even higher oxidative potential on a per PM mass basis compared to the particles emitted by uncontrolled gensets. Further, the GROS as compared to PMROS emissions were not reduced with the same efficiency (<36%). GROS concentrations were highest with the DOC in use, indicating continued formation of GROS with this control. Correlation analyses showed that PMROS and to a lesser extent GROS have a good correlation with semivolatile organic carbon (OC1) subfraction. In addition, results suggest that chemical composition, rather than PM size, is responsible for differences in the PM oxidative potential.
C1 [Pavovic, Jelica] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA.
[Holder, Amara L.; Yelyerton, Tiffany L. B.] US EPA, Off Res & Dev, Natl Risk Management Res Lab, Res Triangle Pk, NC 27711 USA.
RP Pavovic, J (reprint author), Commiss European Communities, Joint Res Ctr, Inst Energy & Transport, Sustainable Transport Unit, Via Enrico Fermi 2749, I-21027 Ispra, Italy.
EM jelica.pavlovic@jrc.ec.europa.eu
FU Oak Ridge Institute for Science and Education; U.S. Environmental
Protection Agency
FX We acknowledge the Oak Ridge Institute for Science and Education for
supporting this research under contract with U.S. Environmental
Protection Agency. The conclusions are those of the authors and do not
necessary reflect the views of the supporting agencies. Any mention of
trade names, products, or services does not imply an endorsement by the
US Government or the United States Environmental Protection Agency. EPA
does not endorse any commercial products, services, or enterprises.
NR 55
TC 1
Z9 1
U1 4
U2 22
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 SEP 1
PY 2015
VL 49
IS 17
BP 10544
EP 10552
DI 10.1021/acs.est.5b01487
PG 9
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CQ7HM
UT WOS:000360773600033
ER
PT J
AU Jacobson, KH
Gunsolus, IL
Kuech, TR
Troiano, JM
Melby, ES
Lohse, SE
Hu, D
Chrisler, WB
Murphy, CJ
Orr, G
Geiger, FM
Haynes, CL
Pedersen, JA
AF Jacobson, Kurt H.
Gunsolus, Ian L.
Kuech, Thomas R.
Troiano, Julianne M.
Melby, Eric S.
Lohse, Samuel E.
Hu, Dehong
Chrisler, William B.
Murphy, Catherine J.
Orr, Galya
Geiger, Franz M.
Haynes, Christy L.
Pedersen, Joel A.
TI Lipopolysaccharide Density and Structure Govern the Extent and Distance
of Nanoparticle Interaction with Actual and Model Bacterial Outer
Membranes
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID GRAM-NEGATIVE BACTERIA; TERMINAL ELECTRON-ACCEPTORS; ATOMIC-FORCE
MICROSCOPY; ESCHERICHIA-COLI; GOLD NANOPARTICLES; 2ND-HARMONIC
GENERATION; PSEUDOMONAS-AERUGINOSA; SHEWANELLA-ONEIDENSIS; OXIDE
NANOPARTICLES; MOLECULAR RULERS
AB Design of nanomedicines and nanoparticle-based antimicrobial and antifouling formulations and assessment of the potential implications of nanoparticle release into the environment requires understanding nanoparticle interaction with bacterial surfaces. Here we demonstrate the electrostatically driven association of functionalized nanoparticles with lipopolysaccharides of Gram-negative bacterial outer membranes and find that lipopolysaccharide structure influences the extent and location of binding relative to the outer leaflet-solution interface. By manipulating the lipopolysaccharide content in Shewanella oneidensis outer membranes, we observed the electrostatically driven interaction of cationic gold nanoparticles with the lipopolysaccharide-containing leaflet. We probed this interaction by quartz crystal microbalance with dissipation monitoring (QCM-D) and second harmonic generation (SHG) using solid-supported lipopolysaccharide-containing bilayers. The association of cationic nanoparticles increased with lipopolysaccharide content, while no association of anionic nanoparticles was observed. The harmonic-dependence of QCM-D measurements suggested that a population of the cationic nanoparticles was held at a distance from the outer leaflet-solution interface of bilayers containing smooth lipopolysaccharides (those bearing a long O-polysaccharide). Additionally, smooth lipopolysaccharides held the bulk of the associated cationic particles outside of the interfacial zone probed by SHG. Our results demonstrate that positively charged nanoparticles are more likely to interact with Gram-negative bacteria than are negatively charged particles, and this interaction occurs primarily through lipopolysaccharides.
C1 [Jacobson, Kurt H.; Pedersen, Joel A.] Univ Wisconsin, Dept Civil & Environm Engn, Madison, WI 53706 USA.
[Kuech, Thomas R.; Melby, Eric S.; Pedersen, Joel A.] Univ Wisconsin, Environm Chem & Technol Program, Madison, WI 53706 USA.
[Pedersen, Joel A.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA.
[Gunsolus, Ian L.; Haynes, Christy L.] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA.
[Troiano, Julianne M.; Geiger, Franz M.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Lohse, Samuel E.; Murphy, Catherine J.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA.
[Orr, Galya] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Haynes, CL (reprint author), Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA.
EM chaynes@umn.edu; joelpedersen@wisc.edu
RI Hu, Dehong/B-4650-2010;
OI Hu, Dehong/0000-0002-3974-2963; Murphy, Catherine/0000-0001-7066-5575;
Haynes, Christy/0000-0002-5420-5867
FU National Science Foundation (NSF) under the Center for Sustainable
Nanotechnology [CHE-1240151]; DOE-BER; National Institutes of Health
Training for Future Biotechnology Development Grant [T32 GM008347];
Minneapolis Torske Klubben Graduate Fellowship; NSF Graduate Research
Fellowship; NSF [DMR-0832760, CBET-0826204]
FX This study was supported by the National Science Foundation (NSF) under
the Center for Sustainable Nanotechnology (CHE-1240151). Part of the
research was performed at EMSL, a Scientific User Facility sponsored by
DOE-BER and located at PNNL. We thank the University of Minnesota's
University Flow Cytometry Resource for flow cytometric analysis and
FACS. I.L.G. gratefully acknowledges support through a National
Institutes of Health Training for Future Biotechnology Development Grant
(T32 GM008347) and a Minneapolis Torske Klubben Graduate Fellowship.
J.M.T. gratefully acknowledges support through an NSF Graduate Research
Fellowship. Partial funding for the QCM-D instrument was from NSF Grants
DMR-0832760 and CBET-0826204. We thank Robert Hamers and Bill Hickey for
helpful comments on the manuscript.
NR 57
TC 10
Z9 10
U1 11
U2 60
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 SEP 1
PY 2015
VL 49
IS 17
BP 10642
EP 10650
DI 10.1021/acs.est.5b01841
PG 9
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CQ7HM
UT WOS:000360773600044
PM 26207769
ER
PT J
AU Qafoku, O
Dixon, DA
Rosso, KM
Schaef, HT
Bowden, ME
Arey, BW
Felmy, AR
AF Qafoku, Odeta
Dixon, David A.
Rosso, Kevin M.
Schaef, Herbert T.
Bowden, Mark E.
Arey, Bruce W.
Felmy, Andrew R.
TI Dynamics of Magnesite Formation at Low Temperature and High pCO(2) in
Aqueous Solution
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY
LA English
DT Article
ID CARBONATES SOLUTION INTERFACE; ATOMIC-FORCE MICROSCOPY; WET
SUPERCRITICAL CO2; DISSOLUTION KINETICS; BRUCITE CARBONATION; AQUIFER
DISPOSAL; PILOT PROJECT; DEGREES-C; SEQUESTRATION; SYSTEM
AB Magnesite precipitation from aqueous solution, despite conditions of supersaturation, is kinetically hindered at low temperatures for reasons that remain poorly understood. The present study examines the products of Mg(OH)(2) reaction in solutions saturated with supercritical CO2 at high pressures (90 and 110 atm) and low temperatures (35 and 50 degrees C). Solids characterization combined with in situ solution analysis reveal that the first reaction products are the hydrated carbonates hydromagnesite and nesquehonite, appearing simultaneously with brucite dissolution. Magnesite is not observed until it comprises a minor product at 7 days reaction at 50 degrees C. Complete transition to magnesite as the sole product at 35 degrees C (135 days) and at a faster rate at 50 degrees C (56 days) occurs as the hydrated carbonates slowly dissolve under the slightly acidic conditions generated at high pCO(2). Such a reaction progression at high pCO(2) suggests that over long term the hydrated Mg-carbonates functioned as intermediates in magnesite formation. These findings highlight the importance of developing a better understanding of the processes expected to occur during CO2 storage. They also support the importance of integrating magnesite as an equilibrium phase in reactive transport calculations of the effects of CO2 sequestration on geological formations at long time scale.
C1 [Qafoku, Odeta; Rosso, Kevin M.; Schaef, Herbert T.; Felmy, Andrew R.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA.
[Bowden, Mark E.; Arey, Bruce W.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Felmy, Andrew R.] Washington State Univ, Pullman, WA 99164 USA.
RP Qafoku, O (reprint author), Pacific NW Natl Lab, POB 999,MS K8-96, Richland, WA 99352 USA.
EM Odeta.Qafoku@pnnl.gov
FU Geosciences Research Program at PNNL by the U.S. Department of Energy,
Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences Biosciences; U.S. Department of Energy, Office of Fossil
Energy; DOE by Battelle Memorial Institute [DE-AC06-76RLO-1830]; Robert
Ramsay Fund of The University of Alabama
FX We thank Dr. J. Hovelmann and the anonymous reviewers for their valuable
suggestions and comments that improved the quality of the article. This
work was supported by the Geosciences Research Program at PNNL supported
by the U.S. Department of Energy, Office of Basic Energy Sciences,
Division of Chemical Sciences, Geosciences & Biosciences, and the Office
of Fossil Energy. Several of the experiments were performed using the
Environmental Molecular Sciences Laboratory, a national scientific user
facility sponsored by the U.S. Department of Energy's (DOE) Office of
Biological and Environmental Research, and located at PNNL. PNNL is
operated for DOE by Battelle Memorial Institute under Contract
DE-AC06-76RLO-1830. D.A.D. thanks the Robert Ramsay Fund of The
University of Alabama for partial support.
NR 64
TC 4
Z9 4
U1 4
U2 36
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 SEP 1
PY 2015
VL 49
IS 17
BP 10736
EP 10744
DI 10.1021/acs.est.5b02588
PG 9
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA CQ7HM
UT WOS:000360773600055
PM 26200317
ER
PT J
AU Freiderich, JW
Stankovich, JJ
Luo, HM
Dai, S
Moyer, BA
AF Freiderich, John W.
Stankovich, Joseph J.
Luo, Huimin
Dai, Sheng
Moyer, Bruce A.
TI Dissolution of the Rare-Earth Mineral Bastnaesite by Acidic Amide Ionic
Liquid for Recovery of Critical Materials
SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
LA English
DT Article
DE Ionic liquids; Rare earths; Ion extraction; Environmental chemistry
ID METAL-OXIDES; SPECTROPHOTOMETRIC DETERMINATION; XYLENOL ORANGE;
EXTRACTION; CHLORIDE; COORDINATION; LANTHANIDES; BEHAVIOR; COPPER; GOLD
AB Rare-earth elements provide the cornerstones to clean sustainable energy and modern technologies such as computers, communications, and transportation. As such, the recovery of rare earths (REs) from minerals such as bastnaesite remains important for modern times. As the light lanthanides (La-Nd) constitute the majority (typically >98.7%) of the REs in bastnaesite with the heavy REs (Sm-Lu) contributing the remainder (approximately 1.3%), an enrichment of heavier REs may serve as an effective means of assisting rare-earth recovery. Such an extractive metallurgy process involving ionic liquids (ILs) leads to an enrichment of heavy REs by nearly an order of magnitude. The acidic IL N,N-dimethylacetamidium bis(trifluoromethylsulfonyl)imide (DMAH(+)NTf(2)(-)) in the IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMIM+NTf2-) dissolves froth flotation bastnaesite, synthetic bastnaesite analogues (RECO3F), RE2O3, and RE2(CO3)(3) minerals. An overall reaction for the dissolution of bastnaesite is proposed for this IL system. This IL system may provide the initial stages of a greater RE separation scheme for bastnaesite froth flotation concentrates.
C1 [Freiderich, John W.; Stankovich, Joseph J.; Dai, Sheng; Moyer, Bruce A.] Div Chem Sci, Oak Ridge, TN 37831 USA.
[Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Dai, S (reprint author), Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM dais@ornl.gov; moyerba@ornl.gov
RI Moyer, Bruce/L-2744-2016; Dai, Sheng/K-8411-2015
OI Moyer, Bruce/0000-0001-7484-6277; Dai, Sheng/0000-0002-8046-3931
FU Critical Materials Institute, an Energy Innovation Hub - U.S. Department
of Energy, Office of Energy Efficiency and Renewable Energy, Advanced
Manufacturing Office
FX The authors thank Dr. Dale Ensor (Tennessee Technological University)
and Dr. Colt Heathman (CSD) for useful solution chemistry discussions as
well as Dr. Richard Mayes (CSD) of ORNL regarding XRD. Research funded
by the Critical Materials Institute, an Energy Innovation Hub funded by
the U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Advanced Manufacturing Office.
NR 42
TC 2
Z9 2
U1 6
U2 48
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1434-1948
EI 1099-0682
J9 EUR J INORG CHEM
JI Eur. J. Inorg. Chem.
PD SEP
PY 2015
IS 26
BP 4354
EP 4361
DI 10.1002/ejic.201500509
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CR0LJ
UT WOS:000361009800009
ER
PT J
AU Wheeler, R
Pandey, A
Shyam, A
Tan, T
Lara-Curzio, E
AF Wheeler, R.
Pandey, A.
Shyam, A.
Tan, T.
Lara-Curzio, E.
TI Small Scale Mechanical Characterization of Thin Foil Materials via Pin
Load Microtesting
SO EXPERIMENTAL MECHANICS
LA English
DT Article
DE Pin loading; Microtest; In situ characterization; Micromechanical
testing; SEM
ID PLASTICITY; STRENGTH; COPPER
AB In situ scanning electron microscope (SEM) experiments, where small-scale mechanical tests are conducted on micro-and nanosized specimens, allow direct visualization of elastic and plastic responses over the entirety of the volume being deformed. This enables precise spatial and temporal correlation of slip events contributing to the plastic flow evidenced in a stress-strain curve. A new pin-loading methodology has been employed, in situ within the SEM, to conduct microtensile tests on thin polycrystalline metal foils. This approach can be tailored to a specific foil whose particular grain size may range from microns to tens of microns. Manufacture of the specialized pin grip was accomplished via silicon photolithography-based processing followed by subsequent focused ion beam finishing. Microtensile specimen preparation was achieved by combining a stencil mask methodology employing broad ion beam sputtering along with focused ion beam milling in the study of several metallic foil materials. Finite-element analyses were performed to characterize the stress and strain distributions in the pin grip and microspecimen under load. Under appropriately conceived test conditions, uniaxial stress-strain responses measured within these foils by pin-load microtensile testing exhibit properties consistent with larger scale tests.
C1 [Wheeler, R.] MicroTesting Solut LLC, Columbus, OH 43026 USA.
[Pandey, A.; Shyam, A.; Tan, T.; Lara-Curzio, E.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Pandey, A.] Rolls Royce LG Fuel Cell Syst Inc, North Canton, OH 44720 USA.
[Tan, T.] Univ Vermont, Civil & Environm Engn, Burlington, VT 05405 USA.
RP Wheeler, R (reprint author), MicroTesting Solut LLC, Columbus, OH 43026 USA.
EM bwheeler@microtestingsolutions.com
OI Shyam, Amit/0000-0002-6722-4709
FU U.S Department of Energy, Office of Fossil Energy, Solid State Energy
Conversion Alliance (SECA) Program
FX Research sponsored by the U.S Department of Energy, Office of Fossil
Energy, Solid State Energy Conversion Alliance (SECA) Program. The
authors would like to acknowledge the assistance of D. Coffey for FIB
processing and H. Bei for reviewing the manuscript. Some of the
instruments used in this investigation, which are part of the High
Temperature Materials Laboratory at ORNL had been acquired with support
from the U.S Department of Energy's Vehicle Technologies Program.
NR 26
TC 2
Z9 2
U1 1
U2 7
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0014-4851
EI 1741-2765
J9 EXP MECH
JI Exp. Mech.
PD SEP
PY 2015
VL 55
IS 7
BP 1375
EP 1387
DI 10.1007/s11340-015-0020-6
PG 13
WC Materials Science, Multidisciplinary; Mechanics; Materials Science,
Characterization & Testing
SC Materials Science; Mechanics
GA CR2EK
UT WOS:000361138000015
ER
PT J
AU Jun, SR
Leuze, MR
Nookaew, I
Uberbacher, EC
Land, M
Zhang, Q
Wanchai, V
Chai, JJ
Nielsen, M
Trolle, T
Lund, O
Buzard, GS
Pedersen, TD
Wassenaar, TM
Ussery, DW
AF Jun, Se-Ran
Leuze, Michael R.
Nookaew, Intawat
Uberbacher, Edward C.
Land, Miriam
Zhang, Qian
Wanchai, Visanu
Chai, Juanjuan
Nielsen, Morten
Trolle, Thomas
Lund, Ole
Buzard, Gregory S.
Pedersen, Thomas D.
Wassenaar, Trudy M.
Ussery, David W.
TI Ebolavirus comparative genomics
SO FEMS MICROBIOLOGY REVIEWS
LA English
DT Review
DE Ebola; comparative genomics; viral genomes; epitope prediction; Ebola
virus disease (EVD); Filovirus
ID WHOLE-PROTEOME PHYLOGENY; ALIGNMENT-FREE METHOD; T-CELL EPITOPES;
MONOCLONAL-ANTIBODIES; MAXIMUM-LIKELIHOOD; VIRUS DISEASE; PREDICTION;
RESPONSES; DATABASE; ZAIRE
AB This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan Variation within Ebola genomes is most common in the intergenic regions and within specific areas of the genes encoding the glycoprotein (GP), nucleoprotein (NP) and polymerase (L); genomic conservation and epitope prediction, combined with glycosylation sites and experimentally determined epitopes, can identify the most promising regions for the development of therapeutic strategies.Variation within Ebola genomes is most common in the intergenic regions and within specific areas of the genes encoding the glycoprotein (GP), nucleoprotein (NP) and polymerase (L); genomic conservation and epitope prediction, combined with glycosylation sites and experimentally determined epitopes, can identify the most promising regions for the development of therapeutic strategies.
C1 [Jun, Se-Ran; Nookaew, Intawat; Uberbacher, Edward C.; Land, Miriam; Zhang, Qian; Wanchai, Visanu; Ussery, David W.] Oak Ridge Natl Lab, Comparat Genom Grp, Biosci Div, Oak Ridge, TN 37831 USA.
[Jun, Se-Ran] Univ Tennessee, Joint Inst Computat Sci, Knoxville, TN 37996 USA.
[Leuze, Michael R.; Chai, Juanjuan] Oak Ridge Natl Lab, Comp Sci Res Grp, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Zhang, Qian; Ussery, David W.] Univ Tennessee, UT ORNL Grad Sch Genome Sci & Technol, Knoxville, TN 37996 USA.
[Nielsen, Morten; Trolle, Thomas; Lund, Ole; Pedersen, Thomas D.; Ussery, David W.] Tech Univ Denmark, Dept Syst Biol, Ctr Biol Sequence Anal, DK-2800 Lyngby, Denmark.
[Nielsen, Morten] Univ Nacl San Martin, Inst Invest Biotecnol, Buenos Aires, DF, Argentina.
[Buzard, Gregory S.] Booze Allen Hamilton, Mclean, VA 22101 USA.
[Pedersen, Thomas D.] Chr Hansen AS, Cultures & Enzymes Div, Assays, Horsholm, Denmark.
[Wassenaar, Trudy M.] Mol Microbiol & Genom Consultants, D-55576 Zotzenheim, Germany.
RP Ussery, DW (reprint author), Oak Ridge Natl Lab, Comparat Genom Grp, Biosci Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM usserydw@ornl.gov
RI Land, Miriam/A-6200-2011; Lund, Ole/F-4437-2014; Nielsen,
Morten/E-7754-2011;
OI Land, Miriam/0000-0001-7102-0031; Lund, Ole/0000-0003-1108-0491;
Nielsen, Morten/0000-0001-7885-4311; Ussery, David/0000-0003-3632-5512;
Trolle, Thomas/0000-0003-0762-2198
FU Oak Ridge National Laboratory (ORNL); U.S. Department of Energy
[DE-AC05-00OR22725]; Oak Ridge National Laboratory
FX Funding was provided by internal funds of Oak Ridge National Laboratory
(ORNL), managed by UT-Battelle, LLC for the U.S. Department of Energy
under Contract No. DE-AC05-00OR22725. The Open Access funding for this
paper was provided by the Oak Ridge National Laboratory.
NR 75
TC 6
Z9 8
U1 2
U2 26
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0168-6445
EI 1574-6976
J9 FEMS MICROBIOL REV
JI Fems Microbiol. Rev.
PD SEP
PY 2015
VL 39
IS 5
BP 764
EP 778
DI 10.1093/femsre/fuv031
PG 15
WC Microbiology
SC Microbiology
GA CR3CY
UT WOS:000361209300007
PM 26175035
ER
PT J
AU Limousin, JM
Yepez, EA
McDowell, NG
Pockman, WT
AF Limousin, Jean-Marc
Yepez, Enrico A.
McDowell, Nate G.
Pockman, William T.
TI Convergence in resource use efficiency across trees with differing
hydraulic strategies in response to ecosystem precipitation manipulation
SO FUNCTIONAL ECOLOGY
LA English
DT Article
DE carbon use efficiency; drought tolerance; Juniperus monosperma; nitrogen
use efficiency; pinon-juniper woodland; Pinus edulis; water use
efficiency
ID CARBON-ISOTOPE DISCRIMINATION; PINYON-JUNIPER WOODLAND; WATER-USE
EFFICIENCY; LEAF GAS-EXCHANGE; SOUTHWESTERN NORTH-AMERICA; NITROGEN-USE
EFFICIENCY; CHANGE-TYPE DROUGHT; VEGETATION MORTALITY; C-3 PLANTS;
LONG-TERM
AB Plants are expected to respond to drought by maximizing the efficiency of the most limiting resource, the water use efficiency (WUE), at the expense of nitrogen and carbon use efficiencies (NUE and CUE). Therefore, plants resource use efficiencies are viewed as indicators of species drought tolerance. We tested these predictions by measuring leaf-level intrinsic WUE (WUEi, the ratio of net assimilation to stomatal conductance), photosynthetic NUE (PNUE, the ratio of daily maximum net assimilation to leaf nitrogen content) and leaf-scale CUE (approached by the ratio of night-time respiration to daytime net assimilation, R-d/A(n)) in pinon pine and juniper, two tree species that differ in drought tolerance and vulnerability to drought-induced mortality. Variations in resource use efficiency in the two species were measured in response to seasonal drought and in response to an ecosystem-scale precipitation manipulation experiment comprising three precipitation treatments: ambient, irrigation (+30%) and partial rainfall exclusion (-45%). Increasing water limitation, either seasonally or across treatments, resulted in increased WUE and decreased PNUE and CUE in both species. WUE, PNUE and CUE varied more strongly in response to water limitation than across species and converged to the same relationships against precipitation for pinon and juniper. Plasticity in WUE, PNUE and CUE in response to water limitation was associated, in both species, with low carbon acquisition during drought. Our results exhibited a convergence in resource use efficiency across pinon and juniper which contradicts the paradigm that resource use efficiencies are indicators of species drought tolerance and ecological strategy.
C1 [Limousin, Jean-Marc; Pockman, William T.] 1 Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
[Limousin, Jean-Marc] Univ Montpellier 3, EPHE, Ctr Ecol Fonctionnelle & Evolut CEFE, UMR 5175,CNRS, F-34293 Montpellier 5, France.
[Yepez, Enrico A.] Inst Tecnol Sonora, Dept Ciencias Agua & Medio Ambiente, Sonora 85000, Mexico.
[McDowell, Nate G.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
RP Pockman, WT (reprint author), 1 Univ New Mexico, Dept Biol, MSC03 2020, Albuquerque, NM 87131 USA.
EM pockman@unm.edu
RI Pockman, William/D-4086-2014
OI Pockman, William/0000-0002-3286-0457
FU US Department of Energy's Office of Science (BER); Sevilleta LTER
Program (NSF) [DEB-0620482]; UNM Sevilleta Field Station
FX We gratefully acknowledge the contributions of Viorel Atudorei, Judson
Hill, Nathan Gehres, Jennifer Plaut, Christopher Bickford, Amanda Boutz,
Turin Dickman, Patrick Hudson, Robert Pangle and Katie Sauer. This
project was funded by the US Department of Energy's Office of Science
(BER) with support from the Sevilleta LTER Program (NSF DEB-0620482) and
the UNM Sevilleta Field Station.
NR 76
TC 4
Z9 4
U1 12
U2 57
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0269-8463
EI 1365-2435
J9 FUNCT ECOL
JI Funct. Ecol.
PD SEP
PY 2015
VL 29
IS 9
BP 1125
EP 1136
DI 10.1111/1365-2435.12426
PG 12
WC Ecology
SC Environmental Sciences & Ecology
GA CR3LV
UT WOS:000361235200003
ER
PT J
AU Shen, DG
Zhang, DQ
Young, A
Parvin, B
AF Shen, Dinggang
Zhang, Daoqiang
Young, Alastair
Parvin, Bahram
TI Machine Learning and Data Mining in Medical Imaging
SO IEEE JOURNAL OF BIOMEDICAL AND HEALTH INFORMATICS
LA English
DT Editorial Material
C1 [Shen, Dinggang] Univ N Carolina, Dept Radiol, Chapel Hill, NC 27599 USA.
[Shen, Dinggang] Univ N Carolina, BRIC, Chapel Hill, NC 27599 USA.
[Zhang, Daoqiang] Nanjing Univ Aeronaut & Astronaut, Dept Comp Sci & Engn, Nanjing 210016, Jiangsu, Peoples R China.
[Young, Alastair] Univ London Imperial Coll Sci Technol & Med, Dept Math, London SW7 2AZ, England.
[Parvin, Bahram] Lawrence Berkeley Natl Lab, Integrat Biol, Berkeley, CA 94720 USA.
RP Shen, DG (reprint author), Univ N Carolina, Dept Radiol, Chapel Hill, NC 27599 USA.
EM dgshen@med.unc.edu
NR 7
TC 1
Z9 1
U1 2
U2 18
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2168-2194
J9 IEEE J BIOMED HEALTH
JI IEEE J. Biomed. Health Inform.
PD SEP
PY 2015
VL 19
IS 5
BP 1587
EP 1588
DI 10.1109/JBHI.2015.2444011
PG 2
WC Computer Science, Information Systems; Computer Science,
Interdisciplinary Applications; Mathematical & Computational Biology;
Medical Informatics
SC Computer Science; Mathematical & Computational Biology; Medical
Informatics
GA CQ7NP
UT WOS:000360791200007
PM 26574616
ER
PT J
AU Duan, GX
Hatchtel, J
Shen, X
Zhang, EX
Zhang, CX
Tuttle, BR
Fleetwood, DM
Schrimpf, RD
Reed, RA
Franco, J
Linten, D
Mitard, J
Witters, L
Collaert, N
Chisholm, MF
Pantelides, ST
AF Duan, Guo Xing
Hatchtel, Jordan
Shen, Xiao
Zhang, En Xia
Zhang, Cher Xuan
Tuttle, Blair R.
Fleetwood, Daniel M.
Schrimpf, Ronald D.
Reed, Robert A.
Franco, Jacopo
Linten, Dimitri
Mitard, Jerome
Witters, Liesbeth
Collaert, Nadine
Chisholm, Matthew F.
Pantelides, Sokrates T.
TI Activation Energies for Oxide- and Interface-Trap Charge Generation Due
to Negative-Bias Temperature Stress of Si-Capped SiGe-pMOSFETs
SO IEEE TRANSACTIONS ON DEVICE AND MATERIALS RELIABILITY
LA English
DT Article
DE SiGe; HfO2; NBTI; activation energy; oxide- and interface-trap charges;
density functional theory calculations
ID MOS DEVICES; SI-SIO2 INTERFACE; ELECTRICAL CHARACTERISTICS; GATE
DIELECTRICS; HYDROGEN; INSTABILITY; RELIABILITY; TRANSPORT; BUILDUP;
GROWTH
AB We investigate negative-bias temperature instabilities in SiGe pMOSFETs with SiO2/HfO2 gate dielectrics. The measured activation energies for interface-trap charge buildup during negative-bias temperature stress are lower for SiGe channel pMOSFETs with SiO2/HfO2 gate dielectrics and Si capping layers than for conventional Si channel pMOSFETs with SiO2 gate dielectrics. Electron energy loss spectroscopy and scanning transmission electron microscopy images demonstrate that Ge atoms can diffuse from the SiGe layer into the Si capping layer, which is adjacent to the SiO2/HfO2 gate dielectric. Density functional calculations show that these Ge atoms reduce the strength of nearby Si-H bonds and that Ge-H bond energies are still lower, thereby reducing the activation energy for interface-trap generation for the SiGe devices. Activation energies for oxide-trap charge buildup during negative-bias temperature stress are similarly small for SiGe pMOSFETs with SiO2/HfO2 gate dielectrics and Si pMOSFETs with SiO2 gate dielectrics, suggesting that, in both cases, the oxide-trap charge buildup likely is rate-limited by hole tunneling into the near-interfacial SiO2.
C1 [Duan, Guo Xing; Zhang, En Xia; Zhang, Cher Xuan; Fleetwood, Daniel M.; Schrimpf, Ronald D.; Reed, Robert A.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA.
[Hatchtel, Jordan; Shen, Xiao; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Tuttle, Blair R.] Penn State Erie, Dept Phys, Erie, PA 16563 USA.
[Franco, Jacopo; Linten, Dimitri; Mitard, Jerome; Witters, Liesbeth; Collaert, Nadine] IMEC, B-3001 Louvain, Belgium.
[Chisholm, Matthew F.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Linten, Dimitri] IMEC, Wireless Res Grp, B-3001 Louvain, Belgium.
[Linten, Dimitri] IMEC, ESD Reliabil Grp, B-3001 Louvain, Belgium.
[Linten, Dimitri] IMEC, Reliabil & Elect Characterizat Grp, B-3001 Louvain, Belgium.
[Collaert, Nadine] IMEC, LOGIC Program, B-3001 Louvain, Belgium.
RP Duan, GX (reprint author), Vanderbilt Univ, Dept Elect Engn & Comp Sci, 221 Kirkland Hall, Nashville, TN 37235 USA.
EM guoxing.duan@vanderbilt.edu; jordan.hachtel@gmail.com;
xiao.shen@vanderbilt.edu; enxia.zhang@vanderbilt.edu;
xuan.zhang@vanderbilt.edu; brt10@psu.edu; dan.fleetwood@vanderbilt.edu;
ron.schrimpf@vanderbilt.edu; robert.reed@vanderbilt.edu;
Jacopo.Franco@imec.be; dimitri.Linten@imec.be; Jerome.Mitard@imec.be;
Liesbeth.Witters@imec.be; collaert@imec.be; chisholmmf@ornl.gov;
pantelides@vanderbilt.edu
RI Hachtel, Jordan/R-1263-2016
OI Hachtel, Jordan/0000-0002-9728-0920
FU Air Force Office of Scientific Research; Air Force Research Laboratory
through the HiREV program; Defense Threat Reduction Agency; U.S.
Department of Energy, Basic Energy Sciences, Materials Science and
Engineering Division
FX This work was supported in part by the Air Force Office of Scientific
Research and the Air Force Research Laboratory through the HiREV program
and in part by the Defense Threat Reduction Agency through its basic
mechanisms program. Work at ORNL was supported by the U.S. Department of
Energy, Basic Energy Sciences, Materials Science and Engineering
Division.
NR 32
TC 2
Z9 2
U1 1
U2 14
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1530-4388
EI 1558-2574
J9 IEEE T DEVICE MAT RE
JI IEEE Trans. Device Mater. Reliab.
PD SEP
PY 2015
VL 15
IS 3
BP 352
EP 358
DI 10.1109/TDMR.2015.2442152
PG 7
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA CQ8YG
UT WOS:000360896100012
ER
PT J
AU Peng, B
Liu, F
Han, R
Luo, G
Cathopoulis, T
Lu, K
Li, X
Yang, L
Liu, GY
Cai, JC
Shi, SL
AF Peng, Bo
Liu, Fan
Han, Rong
Luo, George
Cathopoulis, Terry
Lu, Kun
Li, Xiao
Yang, Ling
Liu, Guo-Yan
Cai, Jian-Chun
Shi, Song-Lin
TI Dynamic metabolic change is indicative of inflammation-induced
transformation of hepatic cells
SO INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY
LA English
DT Article
DE Hepatocellular carcinoma; Chronic inflammation; Metabolomics; Biomarker;
Mass spectrometry
ID CANCER; LIVER; HEPATOCARCINOGENESIS; EXPRESSION; PATHWAYS
AB The observation that prolonged inflammation plays a causative role in cancer development has been well documented. However, an incremental process that leads from healthy to malignant phenotypes has not yet been described. Experimentally induced hepatocellular carcinoma is considered one of the representative laboratory models for studying this process. Hepatic exposure to viral infection or toxic reagents leads to chronic inflammation and gradual transformation into hepatocellular carcinoma. Here we present metabolomic profiles of hepatic cells at different stages during inflammation-induced cellular transformation by N-nitrosodiethylamine. Using gas chromatography mass spectrometry, we quantitatively assessed the changes in cellular metabolites during the transformation process in hepatitis and liver cirrhosis. Further pathway analysis of the differentially expressed metabolites showed that carbohydrate metabolism and lipid metabolism were greatly altered in hepatitis and liver cirrhosis, respectively. Additionally, the enhanced inflammation in cirrhosis was associated with a shift from carbohydrate metabolism to lipid and amino acid metabolism. Among the differentially expressed metabolites found in diseased mouse livers, D-glucose and D-mannitol showed the most significant changes, highlighting them as potential early-diagnostic biomarkers of hepatocellular carcinoma development. Taken together, these investigations into the dynamic metabolic changes that occur during the precancerous stages of hepatocellular carcinoma add to and refine understanding of how chronic inflammation ultimately leads to cancer. Furthermore, the findings set the stage for identifying metabolites that may serve as early-diagnostic indicators of these unfolding events. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Liu, Fan; Liu, Guo-Yan; Cai, Jian-Chun; Shi, Song-Lin] Xiamen Univ, Coll Med, Zhongshan Hosp, Xiamen 361004, Peoples R China.
[Peng, Bo; Liu, Fan; Han, Rong; Lu, Kun; Li, Xiao; Yang, Ling; Shi, Song-Lin] Xiamen Univ, Coll Med, Dept Basic Med, Canc Res Ctr, Xiamen 361102, Peoples R China.
[Peng, Bo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Luo, George; Cathopoulis, Terry] Univ Penn, Perelman Sch Med, Dept Pathol & Lab Med, Philadelphia, PA 19104 USA.
RP Shi, SL (reprint author), Xiamen Univ, Coll Med, Dept Basic Med, Xiamen 361102, Peoples R China.
EM 103753999@qq.com; shisonglin@xmu.edu.cn
FU National Natural Science Foundation's Major Research Planning
[91029729]; National Natural Science Foundation of China [81272921,
81201305, 81172283, 81372616]; Joint Programme by Healthy Care System
and Educational Department in Fujian Province [WKJ-FJ-16]; Natural
Science Foundation of Fujian Province [2013D004]
FX Grant sponsor: National Natural Science Foundation's Major Research
Planning (Grant No. 91029729); National Natural Science Foundation of
China (Grant Nos. 81272921, 81201305, 81172283, 81372616); Joint
Programme by Healthy Care System and Educational Department in Fujian
Province (Grant No. WKJ-FJ-16); Natural Science Foundation of Fujian
Province (Grant No. 2013D004).
NR 22
TC 2
Z9 2
U1 2
U2 12
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1357-2725
EI 1878-5875
J9 INT J BIOCHEM CELL B
JI Int. J. Biochem. Cell Biol.
PD SEP
PY 2015
VL 66
BP 45
EP 58
DI 10.1016/j.biocel.2015.07.007
PG 14
WC Biochemistry & Molecular Biology; Cell Biology
SC Biochemistry & Molecular Biology; Cell Biology
GA CQ9RE
UT WOS:000360951900006
PM 26205150
ER
PT J
AU Godey, MB
Belzunces, B
Head-Gordon, M
AF Godey, Matthew B.
Belzunces, Bastien
Head-Gordon, Martin
TI Attenuated MP2 with a Long-Range Dispersion Correction for Treating
Nonbonded Interactions
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID PLESSET PERTURBATION-THEORY; DENSITY-FUNCTIONAL THEORY; COMPONENT-SCALED
MP2; BASIS-SET LIMIT; DER-WAALS COMPLEXES; INTERACTION ENERGIES;
INTERMOLECULAR INTERACTIONS; NONCOVALENT INTERACTIONS; WATER CLUSTERS;
ACCURATE DESCRIPTION
AB Attenuated second order Moller-Plesset theory (MI32) captures intermolecular binding energies at equilibrium geometries with high fidelity with respect to reference methods, yet must fail to reproduce dispersion energies at stretched geometries due to the removal of fully long-range dispersion. For this problem to be ameliorated, long-range correction using the VVIO van der Waals density functional is added to attenuated MP2, capturing short-range correlation with attenuated MP2 and long-range dispersion with VV10. Attenuated MP2 with long-range VV10 dispersion in the aug-ccpVTZ (aTZ) basis set, MP2-V(terfc, aTZ), is parametrized for noncovalent interactions using the S66 database and tested on a variety of noncovalent databases, describing potential energy surfaces and equilibrium binding energies equally well. Further, a spin-component scaled (SCS) version, SCS-MP2-V(2terfc, aTZ), is produced using the W4-11 database as a supplemental thermochemistry training set, and the resulting method reproduces the quality of MP2-V(terfc, aTZ) for noncovalent interactions and exceeds the performance of SCS-MP2/aTZ for thermochemistry.
C1 [Godey, Matthew B.; Belzunces, Bastien; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA.
[Godey, Matthew B.; Head-Gordon, Martin] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA.
EM mhg@cchem.berkeley.edu
OI Goldey, Matthew/0000-0002-2390-9554
FU U.S. Department of Energy [DE-AC02-05CH11231]; Q-Chem Incorporated
through NIH SBIR [GM096678]; NSF [CHE-1048789]
FX This work was supported by the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231 with additional support from Q-Chem Incorporated
through NIH SBIR Grant No. GM096678. We acknowledge computational
resources obtained under NSF award CHE-1048789. M.H.G. is part-owner of
Q-Chem Incorporated.
NR 64
TC 0
Z9 0
U1 3
U2 11
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD SEP
PY 2015
VL 11
IS 9
BP 4159
EP 4168
DI 10.1021/acs.jctc.5b00509
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CR1LZ
UT WOS:000361087600021
ER
PT J
AU Fischer, SA
Cramer, CJ
Govind, N
AF Fischer, Sean A.
Cramer, Christopher J.
Govind, Niranjan
TI Excited State Absorption from Real-Time Time-Dependent Density
Functional Theory
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID COHERENT CONTROL; SMALL MOLECULES; BASIS SETS; ENSEMBLES; EXCHANGE
AB The optical response of excited states is a key property used to probe photophysical and photochemical dynamics. Additionally, materials with a large nonlinear absorption cross-section caused by two-photon (TPA) and excited state absorption (ESA) are desirable for optical limiting applications. The ability to predict the optical response of excited states would help in the interpretation of transient absorption experiments and aid in the search for and design of optical limiting materials. We have developed an approach to obtain excited state absorption spectra by combining real-time (RT) and linear-response (LR) timedependent density functional theory (TDDFT). Being based on RT-TDDFT, our method is aimed at tackling larger molecular complexes and materials systems where excited state absorption is predominantly seen and many time-resolved experimental efforts are focused. To demonstrate our method, we have calculated the ground and excited state spectra of H-2(+) and H-2 due to the simplicity in the interpretation of the spectra. We have validated our new approach by comparing our results for butadiene with previously published results based on quadratic response (QR). We also present results for oligofluorenes, where we compare our results with both QR-TDDFT and experimental measurements. Because our method directly measures the response of an excited state, stimulated emission features are also captured; although, these features are underestimated in energy which could be attributed to a change of the reference from the ground to the excited state.
C1 [Fischer, Sean A.; Govind, Niranjan] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Cramer, Christopher J.] Univ Minnesota, Dept Chem, Inst Supercomp, Minneapolis, MN 55455 USA.
[Cramer, Christopher J.] Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA.
RP Govind, N (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999, Richland, WA 99352 USA.
EM niri.govind@pnnl.gov
RI Cramer, Christopher/B-6179-2011
OI Cramer, Christopher/0000-0001-5048-1859
FU U.S. Department of Energy, Office of Science, Office of Advanced
Scientific Computing Research, Scientific Discovery through Advanced
Computing (SciDAC) program [DE-SC0008666, KC030102062653]; Office of
Biological and Environmental Research; United States Department of
Energy under DOE [DE-AC05-76RL1830]; Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX S.A.F. and N.G. thank Dr. Patrick El-Khoury for useful discussions. This
work was supported by the U.S. Department of Energy, Office of Science,
Office of Advanced Scientific Computing Research, Scientific Discovery
through Advanced Computing (SciDAC) program under Award Numbers
DE-SC0008666 (C.J.C.) and KC030102062653 (S.A.F., N.G.). The research
was performed using EMSL, a DOE Office of Science User Facility
sponsored by the Office of Biological and Environmental Research and
located at the Pacific Northwest National Laboratory (PNNL). PNNL is
operated by Battelle Memorial Institute for the United States Department
of Energy under DOE contract number DE-AC05-76RL1830. The research also
benefited from resources provided by the National Energy Research
Scientific Computing Center (NERSC), a DOE Office of Science User
Facility supported by the Office of Science of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231 and resources provided by
PNNL Institutional Computing (PIC).
NR 49
TC 16
Z9 16
U1 1
U2 14
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD SEP
PY 2015
VL 11
IS 9
BP 4294
EP 4303
DI 10.1021/acs.jctc.5b00473
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA CR1LZ
UT WOS:000361087600034
PM 26575924
ER
PT J
AU Saenz, JA
Chen, QS
Ringler, T
AF Saenz, Juan A.
Chen, Qingshan
Ringler, Todd
TI Prognostic Residual Mean Flow in an Ocean General Circulation Model and
its Relation to Prognostic Eulerian Mean Flow
SO JOURNAL OF PHYSICAL OCEANOGRAPHY
LA English
DT Article
ID POTENTIAL VORTICITY; TRACER TRANSPORTS; FLUX; PARAMETERIZATION; MOMENTUM
AB Recent work has shown that taking the thickness-weighted average (TWA) of the Boussinesq equations in buoyancy coordinates results in exact equations governing the prognostic residual mean flow where eddy-mean flow interactions appear in the horizontal momentum equations as the divergence of the Eliassen-Palm flux tensor (EPFT). It has been proposed that, given the mathematical tractability of the TWA equations, the physical interpretation of the EPFT, and its relation to potential vorticity fluxes, the TWA is an appropriate framework for modeling ocean circulation with parameterized eddies. The authors test the feasibility of this proposition and investigate the connections between the TWA framework and the conventional framework used in models, where Eulerian mean flow prognostic variables are solved for. Using the TWA framework as a starting point, this study explores the well-known connections between vertical transfer of horizontal momentum by eddy form drag and eddy overturning by the bolus velocity, used by Greatbatch and Lamb and Gent and McWilliams to parameterize eddies. After implementing the TWA framework in an ocean general circulation model, the analysis is verified by comparing the flows in an idealized Southern Ocean configuration simulated using the TWA and conventional frameworks with the same mesoscale eddy parameterization.
C1 [Saenz, Juan A.; Chen, Qingshan; Ringler, Todd] Los Alamos Natl Lab, Fluid Dynam & Solid Mech, Los Alamos, NM USA.
RP Saenz, JA (reprint author), POB 1663, Los Alamos, NM 87545 USA.
EM jn4snz@gmail.com
FU U.S. Department of Energy's Office of Science program for Scientific
Discovery through Advanced Computing (SciDAC); Simons Foundation
FX This work is part of the "Multiscale Methods for Accurate, Efficient,
and Scale-Aware Models of the Earth System" project, supported by the
U.S. Department of Energy's Office of Science program for Scientific
Discovery through Advanced Computing (SciDAC). Code developments and
simulations relied heavily on the work of the MPAS dynamical core
development team at LANL and NCAR and in particular the contributions
from the MPAS-O development team at LANL. We gratefully acknowledge D.
Jacobsen, P. Jones, M. Maltrud and M. Petersen for their contributions
to MPAS-O. Simulations were conducted using an institutional computing
allocation at LANL. Q. C. acknowledges the support of the Simons
Foundation through a travel grant. We thank H. Aiki, R. Tailleux, J.
Marshall, and an anonymous reviewer for constructive comments that led
to a significantly improved manuscript.
NR 24
TC 1
Z9 1
U1 0
U2 4
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0022-3670
EI 1520-0485
J9 J PHYS OCEANOGR
JI J. Phys. Oceanogr.
PD SEP
PY 2015
VL 45
IS 9
BP 2247
EP 2260
DI 10.1175/JPO-D-15-0024.1
PG 14
WC Oceanography
SC Oceanography
GA CR0TQ
UT WOS:000361036500005
ER
PT J
AU Karlen, DL
Beeler, LW
Ong, RG
Dale, BE
AF Karlen, D. L.
Beeler, L. W.
Ong, R. G.
Dale, B. E.
TI Balancing energy, conservation, and soil health requirements for plant
biomass
SO JOURNAL OF SOIL AND WATER CONSERVATION
LA English
DT Editorial Material
ID CORN STOVER HARVEST; ORGANIC-CARBON; BIOFUELS; IMPACTS; DESIGN; YIELDS
C1 [Karlen, D. L.] ARS, USDA, Natl Lab Agr & Environm, Ames, IA 50011 USA.
[Beeler, L. W.] Nat Resources Conservat Serv, Des Moines, IA USA.
[Ong, R. G.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, Lansing, MI USA.
[Ong, R. G.; Dale, B. E.] Michigan State Univ, Dept Chem Engn & Mat Sci, Lansing, MI USA.
RP Karlen, DL (reprint author), ARS, USDA, Natl Lab Agr & Environm, Ames, IA 50011 USA.
NR 43
TC 0
Z9 0
U1 5
U2 18
PU SOIL WATER CONSERVATION SOC
PI ANKENY
PA 945 SW ANKENY RD, ANKENY, IA 50023-9723 USA
SN 0022-4561
EI 1941-3300
J9 J SOIL WATER CONSERV
JI J. Soil Water Conserv.
PD SEP-OCT
PY 2015
VL 70
IS 5
BP 279
EP 287
DI 10.2489/jswc.70.5.279
PG 9
WC Ecology; Soil Science; Water Resources
SC Environmental Sciences & Ecology; Agriculture; Water Resources
GA CR0TI
UT WOS:000361035700004
ER
PT J
AU Romps, DM
AF Romps, David M.
TI MSE Minus CAPE is the True Conserved Variable for an Adiabatically
Lifted Parcel
SO JOURNAL OF THE ATMOSPHERIC SCIENCES
LA English
DT Article
ID EQUIVALENT POTENTIAL TEMPERATURE; STATIC ENERGY; MOIST ATMOSPHERE;
ENTROPY BUDGET; COMPUTATION
AB For an adiabatic parcel convecting up or down through the atmosphere, it is often assumed that its moist static energy (MSE) is conserved. Here, it is shown that the true conserved variable for this process is MSE minus convective available potential energy (CAPE) calculated as the integral of buoyancy from the parcel's height to its level of neutral buoyancy and that this variable is conserved even when accounting for full moist thermodynamics and nonhydrostatic pressure forces. In the calculation of a dry convecting parcel, conservation of MSE minus CAPE gives the same answer as conservation of entropy and potential temperature, while the use of MSE alone can generate large errors. For a moist parcel, entropy and equivalent potential temperature give the same answer as MSE minus CAPE only if the parcel ascends in thermodynamic equilibrium. If the parcel ascends with a nonisothermal mixed-phase stage, these methods can give significantly different answers for the parcel buoyancy because MSE minus CAPE is conserved, while entropy and equivalent potential temperature are not.
C1 [Romps, David M.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Romps, David M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Romps, DM (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, 377 McCone Hall, Berkeley, CA 94720 USA.
EM romps@berkeley.edu
RI Romps, David/F-8285-2011
FU Scientific Discovery through Advanced Computing (Sci-DAC) program -U.S.
Department of Energy Office of Advanced Scientific Computing Research;
Scientific Discovery through Advanced Computing (Sci-DAC) program -U.S.
Department of Energy Office of Biological and Environmental Research;
U.S. Department of Energy's Earth System Modeling, an Office of Science,
Office of Biological and Environmental Research program
[DE-AC02-05CH11231]
FX This work was supported by the Scientific Discovery through Advanced
Computing (Sci-DAC) program funded by the U.S. Department of Energy
Office of Advanced Scientific Computing Research and Office of
Biological and Environmental Research and by the U.S. Department of
Energy's Earth System Modeling, an Office of Science, Office of
Biological and Environmental Research program under Contract
DE-AC02-05CH11231. The author is grateful to three reviewers and the
editor, all of whom provided input that improved this manuscript.
NR 14
TC 6
Z9 6
U1 2
U2 10
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0022-4928
EI 1520-0469
J9 J ATMOS SCI
JI J. Atmos. Sci.
PD SEP
PY 2015
VL 72
IS 9
BP 3639
EP 3646
DI 10.1175/JAS-D-15-0054.1
PG 8
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CR0TW
UT WOS:000361037100021
ER
PT J
AU Wong, M
Ovchinnikov, M
Wang, MH
AF Wong, May
Ovchinnikov, Mikhail
Wang, Minghuai
TI Evaluation of Subgrid-Scale Hydrometeor Transport Schemes Using a
High-Resolution Cloud-Resolving Model
SO JOURNAL OF THE ATMOSPHERIC SCIENCES
LA English
DT Article
ID INCLUDING MASS FLUXES; PART I; BOUNDARY-LAYER; MOIST CONVECTION;
MICROPHYSICS PARAMETERIZATION; UNIFIED PARAMETERIZATION; HORIZONTAL
RESOLUTION; CUMULUS CONVECTION; SENSITIVITY; SIMULATIONS
AB Potential ways of parameterizing vertical turbulent fluxes of hydrometeors are examined using a high-resolution simulation of continental deep convection. The cloud-resolving model uses a double-moment microphysics scheme that contains prognostic variables for four hydrometeor types: rain, graupel, cloud ice, and snow. The benchmark simulation with a horizontal grid spacing of 250 m is analyzed to evaluate three different ways of parameterizing the turbulent vertical fluxes of hydrometeors: an eddy-diffusion approximation, a quadrant-based decomposition, and a scaling method that accounts for within-quadrant (subplume) correlations. Results show that the downgradient nature of the eddy-diffusion approximation enforces transport of mass away from concentrated regions, whereas the benchmark simulation indicates that the vertical transport often moves mass from below the level of maximum concentration to aloft. Unlike the eddy-diffusion approach, the quadrimodal decomposition is able to capture the signs of the flux gradient but underestimates the magnitudes. The scaling approach, which accounts empirically for within-quadrant correlations, improves the representation of the vertical fluxes for all hydrometeors except snow. A sensitivity study is performed to illustrate how vertical transport effects on the vertical distribution of hydrometeors are compounded by accompanying changes in microphysical process rates. Results from the sensitivity tests show that suppressing rain or graupel transport drastically alters vertical profiles of cloud ice and snow through changes in the distribution of cloud water, which in turn governs the production of cloud ice and snow aloft. Last, a viable subgrid-scale hydrometeor transport scheme in an assumed probability density function parameterization is discussed.
C1 [Wong, May; Ovchinnikov, Mikhail] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Wang, Minghuai] Nanjing Univ, Inst Climate & Global Change Res, Nanjing 210008, Jiangsu, Peoples R China.
[Wang, Minghuai] Nanjing Univ, Sch Atmospher Sci, Nanjing 210008, Jiangsu, Peoples R China.
[Wang, Minghuai] Collaborat Innovat Ctr Climate Change, Nanjing, Jiangsu, Peoples R China.
RP Wong, M (reprint author), Natl Ctr Atmospher Res, Mesoscale & Microscale Meteorol Lab, 3450 Mitchell Lane, Boulder, CO 80301 USA.
EM mwong@ucar.edu
RI Wang, Minghuai/E-5390-2011
OI Wang, Minghuai/0000-0002-9179-228X
FU U.S. Department of Energy (DOE), Office of Science, Biological and
Environmental Research (BER) under the Atmospheric System Research (ASR)
Program; U.S. Department of Energy [DE-AC06-76RLO1830]; DOE Office of
Science
FX This research is based on work supported by the U.S. Department of
Energy (DOE), Office of Science, Biological and Environmental Research
(BER) under the Atmospheric System Research (ASR) Program. Computing
resources for the simulations are provided by the National Energy
Research Scientific Computing Center (NERSC). Pacific Northwest National
Laboratory is operated by Battelle for the U.S. Department of Energy
under Contract DE-AC06-76RLO1830. Forcing data were obtained from the
ARM program archive, sponsored by the DOE Office of Science. The authors
thank Vincent Larson for many useful discussions. We also thank the
reviewers for their careful reviews and helpful comments.
NR 42
TC 1
Z9 1
U1 1
U2 5
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0022-4928
EI 1520-0469
J9 J ATMOS SCI
JI J. Atmos. Sci.
PD SEP
PY 2015
VL 72
IS 9
BP 3715
EP 3731
DI 10.1175/JAS-D-15-0060.1
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CR0TW
UT WOS:000361037100026
ER
PT J
AU Campione, S
Luk, TS
Liu, S
Sinclair, MB
AF Campione, Salvatore
Luk, Ting S.
Liu, Sheng
Sinclair, Michael B.
TI Realizing high-quality, ultralarge momentum states and ultrafast
topological transitions using semiconductor hyperbolic metamaterials
SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS
LA English
DT Article
ID EXPERIMENTAL REALIZATION; ABSORPTION
AB We employ both the effective medium approximation (EMA) and Bloch theory to compare the dispersion properties of semiconductor hyperbolic metamaterials (SHMs) at mid-infrared frequencies and metallic hyperbolic metamaterials (MHMs) at visible frequencies. This analysis reveals the conditions under which the EMA can be safely applied for both MHMs and SHMs. We find that the combination of precise nanoscale layering and the longer infrared operating wavelengths puts the SHMs well within the effective medium limit and, in contrast to MHMs, allows for the attainment of very high photon momentum states. In addition, SHMs allow for new phenomena such as ultrafast creation of the hyperbolic manifold through optical pumping. In particular, we examine the possibility of achieving ultrafast topological transitions through optical pumping which can photo-dope appropriately designed quantum wells on the femtosecond time scale. (C) 2015 Optical Society of America
C1 [Campione, Salvatore; Luk, Ting S.; Liu, Sheng] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87185 USA.
[Campione, Salvatore; Luk, Ting S.; Liu, Sheng; Sinclair, Michael B.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Campione, S (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, POB 5800, Albuquerque, NM 87185 USA.
EM sncampi@sandia.gov; mbsincl@sandia.gov
FU Basic Energy Sciences (BES); Center for Integrated Nanotechnologies
(CINT); U.S. Department of Energy (DOE)
FX Basic Energy Sciences (BES); Center for Integrated Nanotechnologies
(CINT); U.S. Department of Energy (DOE).
NR 40
TC 4
Z9 4
U1 3
U2 9
PU OPTICAL SOC AMER
PI WASHINGTON
PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA
SN 0740-3224
EI 1520-8540
J9 J OPT SOC AM B
JI J. Opt. Soc. Am. B-Opt. Phys.
PD SEP 1
PY 2015
VL 32
IS 9
BP 1809
EP 1815
DI 10.1364/JOSAB.32.001809
PG 7
WC Optics
SC Optics
GA CQ7VO
UT WOS:000360813800007
ER
PT J
AU Sakwa-Novak, MA
Holewinski, A
Hoyt, CB
Yoo, CJ
Chai, SH
Dai, S
Jones, CW
AF Sakwa-Novak, Miles A.
Holewinski, Adam
Hoyt, Caroline B.
Yoo, Chun-Jae
Chai, Song-Hai
Dai, Sheng
Jones, Christopher W.
TI Probing the Role of Zr Addition versus Textural Properties in
Enhancement of CO2 Adsorption Performance in Silica/PEI Composite
Sorbents
SO LANGMUIR
LA English
DT Article
ID ORDERED MESOPOROUS SILICA; CARBON-DIOXIDE CAPTURE; AMINE-GRAFTED SBA-15;
HYBRID MATERIALS; PORE-SIZE; SURFACE; POLYETHYLENIMINE; MICROPOROSITY;
ADSORBENTS; MECHANISM
AB Polymeric amines such as poly(ethylenimine) (PEI) supported on mesoporous oxides are promising candidate adsorbents for CO2, capture processes. An important aspect to the design and optimization of these materials is a fundamental understanding of how the properties of the oxide support such as pore structure) particle morphology, and surface properties affect the efficiency of the guest polymer in its interactions with CO2. Previously, the efficiency of impregnated PEI to adsorb CO2, was shown to increase upon the addition of Zr as a surface modifier in SBA-LS: However, the efficacy of this method to tune the adsorption performance has not been explored in materials of differing textural and morphological nature. Here, these issues are directly addressed via the preparation of an array of SBA-15 support materials with varying textural and morphological properties, as well as varying content of zirconium doped into the material. Zirconium is incorporated into the SBA-15 either during the synthesis of the SBA-15, or postsynthetically via deposition of Zr species Onto pure-silica SBA-15. The method of Zr incorporation alters the textural and morphological properties of the parent SBA-15 in different ways. Importantly, the CO2, capacity of SBA-15 impregnated with PEI increases by a maximum of,similar to 60% with the quantity of doped Zr for a "standard" SBA-15 containing significant microporosity, while no increase in the CO2, capacity is observed upon Zr incorporation for an SBA-15 with reduced rnicroporosity and a larger pore size, pore volume, and particle size. Finally, adsorbents supported on SBA-LS with controlled particle morphology show only modest increases in CO2, capacity upon inclusion of Zr to the silica framework. The data demonstrate that the textural and morphological properties of the support have a more significant impact on the ability of PEI to capture CO2, than the support surface composition.
C1 [Sakwa-Novak, Miles A.; Holewinski, Adam; Hoyt, Caroline B.; Yoo, Chun-Jae; Jones, Christopher W.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Chai, Song-Hai; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA.
RP Jones, CW (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA.
EM cjones@chbe.gatech.edu
RI Chai, Song-Hai/A-9299-2012; Dai, Sheng/K-8411-2015
OI Chai, Song-Hai/0000-0002-4152-2513; Dai, Sheng/0000-0002-8046-3931
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences
[DE-SC0012577]
FX This work was supported as part of UNCAGE-ME, an Energy Frontier
Research Center funded by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences under Award no. DE-SC0012577.
NR 53
TC 5
Z9 5
U1 4
U2 34
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0743-7463
J9 LANGMUIR
JI Langmuir
PD SEP 1
PY 2015
VL 31
IS 34
BP 9356
EP 9365
DI 10.1021/acs.langmuir.5b02114
PG 10
WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science,
Multidisciplinary
SC Chemistry; Materials Science
GA CQ7HG
UT WOS:000360773000012
PM 26256038
ER
PT J
AU Ting, YS
Egertson, JD
Payne, SH
Kim, S
MacLean, B
Kall, L
Aebersold, R
Smith, RD
Noble, WS
MacCoss, MJ
AF Ting, Ying S.
Egertson, Jarrett D.
Payne, Samuel H.
Kim, Sangtae
MacLean, Brendan
Kall, Lukas
Aebersold, Ruedi
Smith, Richard D.
Noble, William Stafford
MacCoss, Michael J.
TI Peptide-Centric Proteome Analysis: An Alternative Strategy for the
Analysis of Tandem Mass Spectrometry Data
SO MOLECULAR & CELLULAR PROTEOMICS
LA English
DT Review
ID DATA-INDEPENDENT-ACQUISITION; COLLISION-INDUCED DISSOCIATION;
LARGE-SCALE PROTEOMICS; SHOTGUN PROTEOMICS; QUANTITATIVE-ANALYSIS;
MIXTURE SPECTRA; MS/MS SPECTRA; SEARCH TOOL; IDENTIFICATION;
QUANTIFICATION
AB In mass spectrometry-based bottom-up proteomics, data-independent acquisition is an emerging technique because of its comprehensive and unbiased sampling of precursor ions. However, current data-independent acquisition methods use wide precursor isolation windows, resulting in cofragmentation and complex mixture spectra. Thus, conventional database searching tools that identify peptides by interpreting individual tandem MS spectra are inherently limited in analyzing data-independent acquisition data. Here we discuss an alternative approach, peptide-centric analysis, which tests directly for the presence and absence of query peptides. We discuss how peptide-centric analysis resolves some limitations of traditional spectrum-centric analysis, and we outline the unique characteristics of peptide-centric analysis in general.
C1 [Ting, Ying S.; Egertson, Jarrett D.; MacLean, Brendan; Noble, William Stafford; MacCoss, Michael J.] Univ Washington, Dept Genome Sci, Seattle, WA 98195 USA.
[Payne, Samuel H.; Kim, Sangtae; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Kall, Lukas] Royal Inst Technol KTH, Sci Life Lab, Stockholm, Sweden.
[Aebersold, Ruedi] ETH, Inst Mol Syst Biol, Dept Biol, Swiss Fed Inst Technol, Zurich, Switzerland.
[Noble, William Stafford] Univ Washington, Dept Comp Sci & Engn, Seattle, WA 98195 USA.
[Aebersold, Ruedi] Univ Zurich, Fac Sci, Zurich, Switzerland.
RP MacCoss, MJ (reprint author), Univ Washington, 3720 15th Ave NE Box 355065,Foege S113, Seattle, WA 98195 USA.
EM maccoss@uw.edu
RI Smith, Richard/J-3664-2012;
OI Smith, Richard/0000-0002-2381-2349; Kall, Lukas/0000-0001-5689-9797;
Payne, Samuel/0000-0002-8351-1994
FU National Institutes of Health [R01 GM103551, R01 GM096306, P41 GM103533,
R21 CA192983, F31 AG037265]; US Department of Energy; European Research
Council [ERC-2008-AdG 233226]
FX This work was supported by the National Institutes of Health Grants R01
GM103551, R01 GM096306, P41 GM103533, R21 CA192983, and F31 AG037265, an
Early Career Award from the US Department of Energy (to S.H.P.) and the
European Research Council (Grant# ERC-2008-AdG 233226).
NR 55
TC 13
Z9 13
U1 3
U2 26
PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC
PI BETHESDA
PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA
SN 1535-9476
EI 1535-9484
J9 MOL CELL PROTEOMICS
JI Mol. Cell. Proteomics
PD SEP
PY 2015
VL 14
IS 9
BP 2301
EP 2307
DI 10.1074/mcp.O114.047035
PG 7
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA CQ7YO
UT WOS:000360823000001
PM 26217018
ER
PT J
AU Wiesner, MP
Lin, H
Soares-Santos, M
AF Wiesner, Matthew P.
Lin, Huan
Soares-Santos, Marcelle
TI Mass calibration of galaxy clusters at redshift 0.1-1.0 using weak
lensing in the Sloan Digital Sky Survey Stripe 82 co-add
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE gravitational lensing: weak; surveys; galaxies: clusters: general
ID COSMOLOGICAL CONSTRAINTS; MAXBCG; CATALOG; FINDER; LUMINOSITY; PROFILES
AB We present galaxy cluster mass-richness relations found in the Sloan Digital Sky Survey Stripe 82 co-add using clusters found using a Voronoi tessellation cluster finder. These relations were found using stacked weak lensing shear observed in a large sample of galaxy clusters. These mass-richness relations are presented for four redshift bins, 0.1 < z <= 0.4, 0.4 < z <= 0.7, 0.7 < z <= 1.0 and 0.1 < z <= 1.0. We describe the sample of galaxy clusters and explain how these clusters were found using a Voronoi tessellation cluster finder. We fit a Navarro-Frenk-White profile to the stacked weak lensing shear signal in redshift and richness bins in order to measure virial mass (M-200). We describe several effects that can bias weak lensing measurements, including photometric redshift bias, the effect of the central BCG, halo miscentering, photometric redshift uncertainty and foreground galaxy contamination. We present mass-richness relations using richness measure N-VT with each of these effects considered separately as well as considered altogether. We also examine redshift evolution of the mass-richness relation. As a result, we present measurements of the mass coefficient (M-200 vertical bar 20) and the power-law slope (alpha) for power-law fits to the mass and richness values in each of the redshift bins. We find values of the mass coefficient of 8.49 +/- 0.526, 14.1 +/- 1.78, 30.2 +/- 8.74 and 9.23 +/- 0.525 x 10(13) h(-1) M-circle dot for each of the four redshift bins, respectively. We find values of the power-law slope of 0.905 +/- 0.0585, 0.948 +/- 0.100, 1.33 +/- 0.260 and 0.883 +/- 0.0500, respectively.
C1 [Wiesner, Matthew P.] Purdue Univ, Dept Phys & Astron, W Lafayette, IN 47907 USA.
[Lin, Huan; Soares-Santos, Marcelle] Fermilab Natl Accelerator Lab, Fermilab Ctr Particle Astrophys, Batavia, IL 60510 USA.
RP Wiesner, MP (reprint author), Purdue Univ, Dept Phys & Astron, W Lafayette, IN 47907 USA.
EM matthewwiesner@aol.com
FU Alfred P. Sloan Foundation; National Science Foundation; US Department
of Energy; National Aeronautics and Space Administration; Japanese
Monbukagakusho; Max Planck Society; Higher Education Funding Council for
England; American Museum of Natural History; Astrophysical Institute
Potsdam; University of Basel; University of Cambridge; Case Western
Reserve University; University of Chicago; Drexel University; Fermilab;
Institute for Advanced Study; Japan Participation Group; Johns Hopkins
University; Joint Institute for Nuclear Astrophysics; Kavli Institute
for Particle Astrophysics and Cosmology; Korean Scientist Group; Chinese
Academy of Sciences (LAMOST); Los Alamos National Laboratory; Max-Planck
Institute for Astronomy (MPIA); Max-Planck-Institute for Astrophysics
(MPA); New Mexico State University; Ohio State University; University of
Pittsburgh; University of Portsmouth; Princeton University; United
States Naval Observatory; University of Washington; United States
Department of Energy [DE-AC02-07CH11359]
FX Funding for the SDSS and SDSS-II has been provided by the Alfred P.
Sloan Foundation, the participating institutions, the National Science
Foundation, the US Department of Energy, the National Aeronautics and
Space Administration, the Japanese Monbukagakusho, the Max Planck
Society, and the Higher Education Funding Council for England. The SDSS
website is http://www.sdss.org/.; The SDSS is managed by the
Astrophysical Research Consortium for the participating institutions.
The participating institutions are the American Museum of Natural
History, Astrophysical Institute Potsdam, University of Basel,
University of Cambridge, Case Western Reserve University, University of
Chicago, Drexel University, Fermilab, the Institute for Advanced Study,
the Japan Participation Group, Johns Hopkins University, the Joint
Institute for Nuclear Astrophysics, the Kavli Institute for Particle
Astrophysics and Cosmology, the Korean Scientist Group, the Chinese
Academy of Sciences (LAMOST), Los Alamos National Laboratory, the
Max-Planck Institute for Astronomy (MPIA), the Max-Planck-Institute for
Astrophysics (MPA), New Mexico State University, Ohio State University,
University of Pittsburgh, University of Portsmouth, Princeton
University, the United States Naval Observatory and the University of
Washington.; Fermilab is operated by Fermi Research Alliance, LLC under
contract no. DE-AC02-07CH11359 with the United States Department of
Energy. We are grateful for the comments and suggestions of the
anonymous referee.
NR 36
TC 2
Z9 2
U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD SEP 1
PY 2015
VL 452
IS 1
BP 701
EP 714
DI 10.1093/mnras/stv1332
PG 14
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA CQ8IP
UT WOS:000360851100051
ER
PT J
AU Nan, CW
Jia, QX
AF Nan, Ce-Wen
Jia, Quanxi
TI Obtaining ultimate functionalities in nanocomposites: Design, control,
and fabrication
SO MRS BULLETIN
LA English
DT Article
ID COMPOSITES
AB Emergent behavior can be achieved in composites by interfacing different materials at the nano-or mesoscales. Integrating different materials on a single platform or forming composite provides a new design paradigm to yield enhanced or novel functionalities that cannot be obtained in individual constituents. Nanocomposites, in particular, have been model systems for enhancing interface effects on physical properties because they provide reduced dimensionality or enlarged interfacial areas. To fabricate technologically relevant multifunctional materials, one needs to understand and control the interactions in different materials by manipulating interfaces at the nano-or mesoscales. This issue of MRS Bulletin focuses on nanocomposites, with an emphasis on approaches to the design and control of the functionalities of composite materials through controlled synthesis and advanced characterization in concert with simulation and modeling.
C1 [Nan, Ce-Wen] Tsinghua Univ, State Key Lab New Ceram & Fine Proc, Beijing, Peoples R China.
[Nan, Ce-Wen] Tsinghua Univ, Sch Mat Sci & Engn, Beijing, Peoples R China.
[Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
RP Nan, CW (reprint author), Tsinghua Univ, State Key Lab New Ceram & Fine Proc, Beijing, Peoples R China.
EM cwnan@tsinghua.edu.cn; qxjia@lanl.gov
FU NSF of China [51221291]; Laboratory Directed Research and Development
Program; Center for Integrated Nanotechnologies
FX The work at Tsinghua University was supported by the NSF of China (Grant
No. 51221291). The work at Los Alamos was supported by the Laboratory
Directed Research and Development Program and the Center for Integrated
Nanotechnologies, an Office of Science User Facility operated by the
U.S. Department of Science.
NR 13
TC 7
Z9 7
U1 4
U2 20
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0883-7694
EI 1938-1425
J9 MRS BULL
JI MRS Bull.
PD SEP
PY 2015
VL 40
IS 9
BP 719
EP 723
DI 10.1557/mrs.2015.196
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CR0TF
UT WOS:000361035400001
ER
PT J
AU Firestone, MA
Hayden, SC
Huber, DL
AF Firestone, Millicent A.
Hayden, Steven C.
Huber, Dale L.
TI Greater than the sum: Synergy and emergent properties in
nanoparticle-polymer composites
SO MRS BULLETIN
LA English
DT Article
ID LAYERED SILICATE NANOCOMPOSITES; SOLAR-CELLS; INORGANIC NANOPARTICLES;
SILVER NANOPARTICLES; METAL NANOPARTICLES; HETEROGENEOUS CATALYSIS;
GRAFTED NANOPARTICLES; MECHANICAL-PROPERTIES; FUNCTIONAL MATERIALS;
OXIDE NANOPARTICLES
AB The ongoing pursuit of multifunctional soft materials that can impact a wide range of technological challenges, ranging from information processing to energy storage and transducing devices, has resulted in the development of hybrid materials composed of nanoparticles (NPs) dispersed in polymers. Beyond the simple preparation of composites that have the additive value of the individual components, this review discusses recent work and trends in composites that exhibit novel synergistic or emergent properties arising from combining the components. In particular, we highlight recent examples of composites in which NP assembly within polymers leads to enhancement or changes of the NP properties and how introducing NPs into a polymer can cause significant changes in the polymer's intrinsic properties.
C1 [Firestone, Millicent A.; Hayden, Steven C.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
[Huber, Dale L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Livermore, CA 94550 USA.
RP Firestone, MA (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
EM firestone@lanl.gov; scchayden@gmail.com; dale.huber@sandia.gov
RI Huber, Dale/A-6006-2008
OI Huber, Dale/0000-0001-6872-8469
FU US Department of Energy, Center for Integrated Nanotechnologies, at Los
Alamos National Laboratory [DE-AC52-06NA25396]; US Department of Energy,
Center for Integrated Nanotechnologies, at Sandia National Laboratory;
Lockheed Martin Corporation, for the US Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX M.A.F. and S.C.H. acknowledge support from the US Department of Energy,
Center for Integrated Nanotechnologies, at Los Alamos National
Laboratory (Contract DE-AC52-06NA25396). D.L.H. acknowledges support
from the US Department of Energy, Center for Integrated
Nanotechnologies, at Sandia National Laboratory. Sandia National
Laboratories is a multiprogram laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the US Department of Energy's National Nuclear Security
Administration under Contract DE-AC04-94AL85000.
NR 104
TC 7
Z9 7
U1 8
U2 40
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0883-7694
EI 1938-1425
J9 MRS BULL
JI MRS Bull.
PD SEP
PY 2015
VL 40
IS 9
BP 760
EP 767
DI 10.1557/mrs.2015.202
PG 8
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CR0TF
UT WOS:000361035400005
ER
PT J
AU Hollingsworth, JA
Htoon, H
Piryatinski, A
Gotzinger, S
Sandoghdar, V
AF Hollingsworth, Jennifer A.
Htoon, Han
Piryatinski, Andrei
Goetzinger, Stephan
Sandoghdar, Vahid
TI When excitons and plasmons meet: Emerging function through synthesis and
assembly
SO MRS BULLETIN
LA English
DT Article
ID BINARY NANOCRYSTAL SUPERLATTICES; QUANTUM-DOT ASSEMBLIES; SINGLE-PHOTON
EMISSION; NANOPARTICLE ASSEMBLIES; GOLD NANOPARTICLES;
STRUCTURAL-CHARACTERIZATION; FLUORESCENCE PROPERTIES; METAL
NANOPARTICLES; THERMAL-STABILITY; SILVER NANOWIRE
AB To meet the challenge of precise nanoscale arrangement of emitter and plasmonic nanoantenna, synthesis and assembly methods continue to evolve in accuracy and reproducibility. This article reviews some of the many strategies being developed for "soft" chemical approaches to precision integration and assembly. We also discuss investigations of the Purcell effect, emission directionality control, and near-unity collection efficiency of photons, emitter emitter coupling, and higher-order emission processes that have been most deeply explored using individual-emitter- (or several-emitter-) nanoantenna pairs fabricated using traditional lithographic methods or dynamically and controllably manipulated using scanning probe methods. Importantly, these results along with theoretical analyses inspire and motivate continued advancements in large-scale synthesis and assembly. We emphasize assembly approaches that have been used to create nanosemiconductor-nanometal hybrids and, in particular, those that have afforded specific plasmonic effects on excitonic properties. We also review direct-synthesis and chemical-linker strategies to creating discrete, though less spatially extended, semiconductor-metal interactions.
C1 [Hollingsworth, Jennifer A.; Htoon, Han] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
[Piryatinski, Andrei] Los Alamos Natl Lab, Div Theoret, Phys Condensed Matter & Complex Syst, Los Alamos, NM 87545 USA.
[Goetzinger, Stephan] Univ Erlangen Nurnberg, Dept Phys, Erlangen, Germany.
[Goetzinger, Stephan; Sandoghdar, Vahid] Max Planck Inst Sci Light, Munich, Germany.
[Sandoghdar, Vahid] Univ Erlangen Nurnberg, Erlangen, Germany.
RP Hollingsworth, JA (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
EM jenn@lanl.gov; htoon@lanl.gov; apiryat@lanl.gov; goetzinger@mpl.mpg.de;
vahid.sandoghdar@mpl.mpg.de
RI Piryatinski, Andrei/B-5543-2009; Goetzinger, Stephan/C-7396-2013;
OI Htoon, Han/0000-0003-3696-2896
NR 126
TC 4
Z9 4
U1 9
U2 40
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0883-7694
EI 1938-1425
J9 MRS BULL
JI MRS Bull.
PD SEP
PY 2015
VL 40
IS 9
BP 768
EP 776
DI 10.1557/mrs.2015.200
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CR0TF
UT WOS:000361035400006
ER
PT J
AU Diao, S
Hong, GS
Antaris, AL
Blackburn, JL
Cheng, K
Cheng, Z
Dai, HJ
AF Diao, Shuo
Hong, Guosong
Antaris, Alexander L.
Blackburn, Jeffrey L.
Cheng, Kai
Cheng, Zhen
Dai, Hongjie
TI Biological imaging without autofluorescence in the second near-infrared
region
SO NANO RESEARCH
LA English
DT Article
DE fluorescence imaging; second near-infrared; nanotechnology;
autofluorescence
ID WALLED CARBON NANOTUBES; IN-VIVO; QUANTUM DOTS; OPTICAL-PROPERTIES;
FLUORESCENCE; REDUCTION; TISSUE; WINDOW; MICROSCOPY; EMISSION
AB Fluorescence imaging is capable of acquiring anatomical and functional information with high spatial and temporal resolution. This imaging technique has been indispensable in biological research and disease detection/diagnosis. Imaging in the visible and to a lesser degree, in the near-infrared (NIR) regions below 900 nm, suffers from autofluorescence arising from endogenous fluorescent molecules in biological tissues. This autofluorescence interferes with fluorescent molecules of interest, causing a high background and low detection sensitivity. Here, we report that fluorescence imaging in the 1,500-1,700-nm region (termed "NIR-IIb") under 808-nm excitation results in nearly zero tissue autofluorescence, allowing for background-free imaging of fluorescent species in otherwise notoriously autofluorescent biological tissues, including liver. Imaging of the intrinsic fluorescence of individual fluorophores, such as a single carbon nanotube, can be readily achieved with high sensitivity and without autofluorescence background in mouse liver within the 1,500-1,700-nm wavelength region.
C1 [Diao, Shuo; Hong, Guosong; Antaris, Alexander L.; Dai, Hongjie] Stanford Univ, Dept Chem, Stanford, CA 94305 USA.
[Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
[Cheng, Kai; Cheng, Zhen] Stanford Univ, MIPS, Stanford, CA 94305 USA.
[Cheng, Kai; Cheng, Zhen] Stanford Univ, Dept Radiol, Stanford, CA 94305 USA.
RP Dai, HJ (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA.
EM hdai@stanford.edu
RI Cheng, Zhen/K-2843-2012
FU Solar Photochemistry Program of the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Division of Chemical Sciences,
Geosciences and Biosciences [DE-AC36-08GO28308]
FX Jeffrey L. Blackburn graciously acknowledges support from the Solar
Photochemistry Program of the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Division of Chemical Sciences,
Geosciences and Biosciences, under Contract No. DE-AC36-08GO28308 to
NREL.
NR 36
TC 12
Z9 12
U1 23
U2 89
PU TSINGHUA UNIV PRESS
PI BEIJING
PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA
SN 1998-0124
EI 1998-0000
J9 NANO RES
JI Nano Res.
PD SEP
PY 2015
VL 8
IS 9
BP 3027
EP 3034
DI 10.1007/s12274-015-0808-9
PG 8
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CR1BF
UT WOS:000361057000025
ER
PT J
AU Harutyunyan, H
Martinson, ABF
Rosenmann, D
Khorashad, LK
Besteiro, LV
Govorov, AO
Wiederrecht, GP
AF Harutyunyan, Hayk
Martinson, Alex B. F.
Rosenmann, Daniel
Khorashad, Larousse Khosravi
Besteiro, Lucas V.
Govorov, Alexander O.
Wiederrecht, Gary P.
TI Anomalous ultrafast dynamics of hot plasmonic electrons in
nanostructures with hot spots
SO NATURE NANOTECHNOLOGY
LA English
DT Article
ID METAL NANOCRYSTALS; GOLD NANOPARTICLE; OPTICAL ANTENNAS; NANOANTENNAS;
ENHANCEMENT; GENERATION; CARRIERS
AB The interaction of light and matter in metallic nanosystems is mediated by the collective oscillation of surface electrons, called plasmons(1). After excitation, plasmons are absorbed by the metal electrons through inter- and intraband transitions, creating a highly non-thermal distribution of electrons(2-4). The electron population then decays through electron-electron interactions, creating a hot electron distribution within a few hundred femtoseconds, followed by a further relaxation via electron-phonon scattering on the timescale of a few pico-seconds(5-8). In the spectral domain, hot plasmonic electrons induce changes to the plasmonic resonance of the nanostructure by modifying the dielectric constant of the metal(5,9). Here, we report on the observation of anomalously strong changes to the ultrafast temporal and spectral responses of these excited hot plasmonic electrons in hybrid metal/oxide nanostructures as a result of varying the geometry and composition of the nanostructure and the excitation wavelength. In particular, we show a large ultrafast, pulsewidth-limited contribution to the excited electron decay signal in hybrid nanostructures containing hot spots. The intensity of this contribution correlates with the efficiency of the generation of highly excited surface electrons. Using theoretical models, we attribute this effect to the generation of hot plasmonic electrons from hot spots. We then develop general principles to enhance the generation of energetic electrons through specifically designed plasmonic nanostructures that could be used in applications where hot electron generation is beneficial, such as in solar photocatalysis, photodetectors and nonlinear devices(10-19).
C1 [Harutyunyan, Hayk; Rosenmann, Daniel; Wiederrecht, Gary P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Harutyunyan, Hayk] Emory Univ, Dept Phys, Atlanta, GA 30322 USA.
[Martinson, Alex B. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Khorashad, Larousse Khosravi; Besteiro, Lucas V.; Govorov, Alexander O.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA.
RP Harutyunyan, H (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM hayk.harutyunyan@emory.edu; govorov@helios.phy.ohiou.edu;
wiederrecht@anl.gov
FU Center for Nanoscale Materials, a US Department of Energy, Office of
Science, Office of Basic Energy Sciences User Facility
[DE-AC02-06CH11357]; Argonne-Northwestern Solar Energy Research (ANSER)
Center, an Energy Frontier Research Center - US Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-SC0001059];
Volkswagen Foundation; US Army Research Office [W911NF-12-1-0407]
FX This work was performed, in part, at the Center for Nanoscale Materials,
a US Department of Energy, Office of Science, Office of Basic Energy
Sciences User Facility under contract no. DE-AC02-06CH11357. Work by
A.B.F.M. was supported by the Argonne-Northwestern Solar Energy Research
(ANSER) Center, an Energy Frontier Research Center funded by the US
Department of Energy, Office of Science, Office of Basic Energy Sciences
under award no. DE-SC0001059. A.O.G. and L.K.K. acknowledge support from
the Volkswagen Foundation and the US Army Research Office
(W911NF-12-1-0407). The authors thank L. Ocola and R. Divan for their
invaluable help with fabrication instruments and processes.
NR 31
TC 36
Z9 36
U1 25
U2 136
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1748-3387
EI 1748-3395
J9 NAT NANOTECHNOL
JI Nat. Nanotechnol.
PD SEP
PY 2015
VL 10
IS 9
BP 770
EP +
DI 10.1038/NNANO.2015.165
PG 6
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA CQ9JY
UT WOS:000360932000012
PM 26237345
ER
PT J
AU Olf, R
Fang, F
Marti, GE
MacRae, A
Stamper-Kurn, DM
AF Olf, Ryan
Fang, Fang
Marti, G. Edward
MacRae, Andrew
Stamper-Kurn, Dan M.
TI Thermometry and cooling of a Bose gas to 0.02 times the condensation
temperature
SO NATURE PHYSICS
LA English
DT Article
ID ULTRACOLD ATOMS; FERMI GAS; MOTT INSULATOR; QUANTUM GASES; TRANSITION;
SUPERFLUID; THERMODYNAMICS
AB Trapped quantum gases can be cooled to impressively low temperatures(1,2), but it is unclear whether their entropy is low enough to realize phenomena such as d-wave superconductivity and magnetic ordering(3). Estimated critical entropies per particle for quantum magnetic ordering are similar to 0.3k(B) and similar to 0.03k(B) for bosons in three-and two-dimensional lattices, respectively(4), with similar values for Neel ordering of lattice-trapped Fermi gases(5). Here we report reliable single-shot temperature measurements of a degenerate Rb gas by imaging the momentum distribution of thermalized magnons, which are spin excitations of the atomic gas. We record average temperatures fifty times lower than the Bose-Einstein condensation temperature, indicating an entropy per particle of similar to 0.001k(B) at equilibrium, nearly two orders of magnitude lower than the previous best in a dilute atomic gas(2,6) and well below the critical entropy for antiferromagnetic ordering of a Bose-Hubbard system. The magnons can reduce the temperature of the system by absorbing energy during thermalization and by enhancing evaporative cooling, allowing the production of low-entropy gases in deep traps.
C1 [Olf, Ryan; Fang, Fang; Marti, G. Edward; MacRae, Andrew; Stamper-Kurn, Dan M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Stamper-Kurn, Dan M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Olf, R (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM ryan@efrus.com
FU NASA; AFOSR through the MURI program; Fannie and John Hertz Foundation
FX We thank H. Kadau and E. Copenhaver for assistance improving the
experimental apparatus. We acknowledge the primary research support from
NASA and the AFOSR through the MURI program, and also secondary support
for personnel through the NSF. G.E.M. acknowledges support from the
Fannie and John Hertz Foundation.
NR 28
TC 10
Z9 10
U1 3
U2 10
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD SEP
PY 2015
VL 11
IS 9
BP 720
EP +
DI 10.1038/NPHYS3408
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CQ6IY
UT WOS:000360709200011
ER
PT J
AU Yang, LX
Liu, ZK
Sun, Y
Peng, H
Yang, HF
Zhang, T
Zhou, B
Zhang, Y
Guo, YF
Rahn, M
Prabhakaran, D
Hussain, Z
Mo, SK
Felser, C
Yan, B
Chen, YL
AF Yang, L. X.
Liu, Z. K.
Sun, Y.
Peng, H.
Yang, H. F.
Zhang, T.
Zhou, B.
Zhang, Y.
Guo, Y. F.
Rahn, M.
Prabhakaran, D.
Hussain, Z.
Mo, S. -K.
Felser, C.
Yan, B.
Chen, Y. L.
TI Weyl semimetal phase in the non-centrosymmetric compound TaAs
SO NATURE PHYSICS
LA English
DT Article
ID TOPOLOGICAL DIRAC SEMIMETAL; SURFACE FERMI ARCS; ULTRAHIGH MOBILITY;
INSULATORS; CD3AS2; MAGNETORESISTANCE; DISCOVERY
AB Three-dimensional (3D) topological Weyl semimetals (TWSs) represent a state of quantum matter with unusual electronic structures that resemble both a '3D graphene' and a topological insulator. Their electronic structure displays pairs of Weyl points (through which the electronic bands disperse linearly along all three momentum directions) connected by topological surface states, forming a unique arc-like Fermi surface (FS). Each Weyl point is chiral and contains half the degrees of freedom of a Dirac point, and can be viewed as a magnetic monopole in momentum space. By performing angle-resolved photoemission spectroscopy on the non-centrosymmetric compound TaAs, here we report its complete band structure, including the unique Fermi-arc FS and linear bulk band dispersion across the Weyl points, in agreement with the theoretical calculations1,2. This discovery not only confirms TaAs as a 3DTWS, but also provides an ideal platform for realizing exotic physical phenomena (for example, negative magnetoresistance, chiral magnetic effects and the quantum anomalous Hall effect) which may also lead to novel future applications.
C1 [Yang, L. X.; Zhang, T.; Chen, Y. L.] Tsinghua Univ, Collaborat Innovat Ctr Quantum Matter, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China.
[Yang, L. X.; Zhang, T.; Chen, Y. L.] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China.
[Yang, L. X.; Peng, H.; Yang, H. F.; Zhang, T.; Zhou, B.; Guo, Y. F.; Rahn, M.; Prabhakaran, D.; Chen, Y. L.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England.
[Yang, L. X.; Zhou, B.; Zhang, Y.; Hussain, Z.; Mo, S. -K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Liu, Z. K.; Chen, Y. L.] Diamond Light Source, Didcot OX11 0QX, Oxon, England.
[Liu, Z. K.; Yan, B.; Chen, Y. L.] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China.
[Sun, Y.; Felser, C.; Yan, B.] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany.
[Yang, H. F.] Chinese Acad Sci, SIMIT, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China.
RP Chen, YL (reprint author), Tsinghua Univ, Collaborat Innovat Ctr Quantum Matter, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China.
EM yulin.chen@physics.ox.ac.uk
RI Mo, Sung-Kwan/F-3489-2013; Zhang, Yi/J-9025-2013; Yang, lexian
/G-1123-2016; Yanfeng, Guo/C-5704-2012; Felser, Claudia/A-5779-2009;
Rahn, Marein/R-7616-2016
OI Mo, Sung-Kwan/0000-0003-0711-8514; Zhang, Yi/0000-0003-1204-8717;
Felser, Claudia/0000-0002-8200-2063; Rahn, Marein/0000-0001-7403-8288
FU EPSRC (UK) [EP/K04074X/1]; DARPA (US) MESO project [N66001-11-1-4105];
Department of Energy, Office of Basic Energy Science [DE-AC02-05CH11231]
FX Y.L.C. acknowledges the support from the EPSRC (UK) grant EP/K04074X/1
and a DARPA (US) MESO project (no. N66001-11-1-4105). The Advanced Light
Source is operated by the Department of Energy, Office of Basic Energy
Science (contract DE-AC02-05CH11231).
NR 32
TC 158
Z9 159
U1 34
U2 170
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD SEP
PY 2015
VL 11
IS 9
BP 728
EP +
DI 10.1038/NPHYS3425
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CQ6IY
UT WOS:000360709200014
ER
PT J
AU Xu, SY
Alidoust, N
Belopolski, I
Yuan, ZJ
Bian, G
Chang, TR
Zheng, H
Strocov, VN
Sanchez, DS
Chang, GQ
Zhang, CL
Mou, DX
Wu, Y
Huang, LN
Lee, CC
Huang, SM
Wang, BK
Bansil, A
Jeng, HT
Neupert, T
Kaminski, A
Lin, H
Jia, S
Hasan, MZ
AF Xu, Su-Yang
Alidoust, Nasser
Belopolski, Ilya
Yuan, Zhujun
Bian, Guang
Chang, Tay-Rong
Zheng, Hao
Strocov, Vladimir N.
Sanchez, Daniel S.
Chang, Guoqing
Zhang, Chenglong
Mou, Daixiang
Wu, Yun
Huang, Lunan
Lee, Chi-Cheng
Huang, Shin-Ming
Wang, BaoKai
Bansil, Arun
Jeng, Horng-Tay
Neupert, Titus
Kaminski, Adam
Lin, Hsin
Jia, Shuang
Hasan, M. Zahid
TI Discovery of a Weyl fermion state with Fermi arcs in niobium arsenide
SO NATURE PHYSICS
LA English
DT Article
ID PHASE-TRANSITION; INSULATOR; SEMIMETAL; CRYSTAL; MATTER; NBAS
AB Three types of fermions play a fundamental role in our understanding of nature: Dirac, Majorana and Weyl. Whereas Dirac fermions have been known for decades, the latter two have not been observed as any fundamental particle in high-energy physics, and have emerged as a much-sought-out treasure in condensed matter physics. A Weyl semimetal is a novel crystal whose low-energy electronic excitations behave as Weyl fermions. It has received worldwide interest and is believed to open the next era of condensed matter physics after graphene and three-dimensional topological insulators. However, experimental research has been held back because Weyl semimetals are extremely rare in nature. Here, we present the experimental discovery of the Weyl semimetal state in an inversion-symmetry-breaking single-crystalline solid, niobium arsenide (NbAs). Utilizing the combination of soft X-ray and ultraviolet photoemission spectroscopy, we systematically study both the surface and bulk electronic structure of NbAs. We experimentally observe both the Weyl cones in the bulk and the Fermi arcs on the surface of this system. Our ARPES data, in agreement with our theoretical band structure calculations, identify the Weyl semimetal state in NbAs, which provides a real platform to test the potential of Weyltronics.
C1 [Xu, Su-Yang; Alidoust, Nasser; Belopolski, Ilya; Bian, Guang; Chang, Tay-Rong; Zheng, Hao; Sanchez, Daniel S.; Hasan, M. Zahid] Princeton Univ, Dept Phys, Lab Topol Quantum Matter & Spect B7, Princeton, NJ 08544 USA.
[Xu, Su-Yang; Alidoust, Nasser; Belopolski, Ilya; Hasan, M. Zahid] Princeton Univ, Princeton Inst Sci & Technol Mat, Princeton Ctr Complex Mat, Princeton, NJ 08544 USA.
[Yuan, Zhujun; Zhang, Chenglong; Jia, Shuang] Peking Univ, Sch Phys, Int Ctr Quantum Mat, Beijing 100871, Peoples R China.
[Chang, Tay-Rong; Jeng, Horng-Tay] Natl Tsing Hua Univ, Dept Phys, Hsinchu 30013, Taiwan.
[Strocov, Vladimir N.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland.
[Chang, Guoqing; Lee, Chi-Cheng; Huang, Shin-Ming; Wang, BaoKai; Lin, Hsin] Natl Univ Singapore, Ctr Adv Mat 2D, Singapore 117546, Singapore.
[Chang, Guoqing; Lee, Chi-Cheng; Huang, Shin-Ming; Wang, BaoKai; Lin, Hsin] Natl Univ Singapore, Graphene Res Ctr, Singapore 117546, Singapore.
[Chang, Guoqing; Lee, Chi-Cheng; Huang, Shin-Ming; Wang, BaoKai; Lin, Hsin] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore.
[Mou, Daixiang; Wu, Yun; Huang, Lunan; Kaminski, Adam] US DOE, Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.
[Mou, Daixiang; Wu, Yun; Huang, Lunan; Kaminski, Adam] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Wang, BaoKai; Bansil, Arun] Northeastern Univ, Dept Phys, Boston, MA 02115 USA.
[Jeng, Horng-Tay] Acad Sinica, Inst Phys, Taipei 11529, Taiwan.
[Neupert, Titus] Princeton Univ, Princeton Ctr Theoret Sci, Princeton, NJ 08544 USA.
[Jia, Shuang] Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China.
RP Hasan, MZ (reprint author), Princeton Univ, Dept Phys, Lab Topol Quantum Matter & Spect B7, Princeton, NJ 08544 USA.
EM mzhasan@princeton.edu
RI zheng, hao/H-8636-2015; Bian, Guang/C-5182-2016; Lin, Hsin/F-9568-2012;
Chang, Tay-Rong/K-3943-2015; Neupert, Titus/K-8733-2012;
OI zheng, hao/0000-0002-6495-874X; Bian, Guang/0000-0001-7055-2319; Lin,
Hsin/0000-0002-4688-2315; Chang, Tay-Rong/0000-0003-1222-2527; Neupert,
Titus/0000-0003-0604-041X; chang, guoqing/0000-0003-1180-3127
FU Gordon and Betty Moore Foundations EPiQS Initiative [GBMF4547]; National
Research Foundation, Prime Minister's Office, Singapore under its NRF
fellowship (NRF) [NRF-NRFF2013-03]; National Basic Research Program of
China [2013CB921901, 2014CB239302]; National Science Council, Taiwan;
CEM, an NSF MRSEC [DMR-1420451]; US Department of Energy, Office of
Basic Energy Sciences, Division of Materials Sciences and Engineering
[DE AC02 07CH11358]; US Department of Energy (DOE), Office of Science,
Basic Energy Sciences [DE-FG02-07ER46352]; NERSC Supercomputing Center
through DOE [DE-AC02-05CH11231]; [DE-FG-02-05ER46200]
FX Work at Princeton University and Princeton-led synchrotron-based ARPES
measurements were supported by the Gordon and Betty Moore Foundations
EPiQS Initiative through Grant GBMF4547 (M.Z.H.). First-principles band
structure calculations at National University of Singapore were
supported by the National Research Foundation, Prime Minister's Office,
Singapore under its NRF fellowship (NRF Award No. NRF-NRFF2013-03).
Single-crystal growth was supported by National Basic Research Program
of China (Grant Nos. 2013CB921901 and 2014CB239302) and by
DE-FG-02-05ER46200. T.-R.C. and H.-T.J. were supported by the National
Science Council, Taiwan. H.-T.J. also thanks National Center for
High-Performance Computing (NCHC), Computer and Information Network
Center National Taiwan University (CINC-NTU), and National Center for
Theoretical Sciences (NCTS), Taiwan, for technical support. L.H. is
supported by CEM, an NSF MRSEC, under grant DMR-1420451. Experiments at
the Ames Laboratory in the Iowa State University were supported by the
US Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering under Contract No. DE AC02 07CH11358.
The work at Northeastern University was supported by the US Department
of Energy (DOE), Office of Science, Basic Energy Sciences grant number
DE-FG02-07ER46352, and benefited from Northeastern University's Advanced
Scientific Computation Center (ASCC) and the NERSC Supercomputing Center
through DOE grant number DE-AC02-05CH11231. We gratefully thank S.-k.
Mo, J. Denlinger, A. V. Fedorov, M. Hashimoto, M. Hoesch and T. Kim for
their beamline assistance at the Advanced Light Source, the Stanford
Synchrotron Radiation Lightsource and the Diamond Light Source. We thank
D. Huse, I. Klebanov, A. Polyakov, P. Steinhardt, H. Verlinde and A.
Vishwanath for discussions. T.-R.C. and H.L. acknowledge visiting
scientist support from Princeton University. We also thank C.-H. Hsu for
technical assistance in the theoretical calculations.
NR 33
TC 182
Z9 182
U1 32
U2 140
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD SEP
PY 2015
VL 11
IS 9
BP 748
EP +
DI 10.1038/NPHYS3437
PG 8
WC Physics, Multidisciplinary
SC Physics
GA CQ6IY
UT WOS:000360709200019
ER
PT J
AU Kearney, SP
Danehy, PM
AF Kearney, Sean P.
Danehy, Paul M.
TI Pressure measurements using hybrid femtosecond/picosecond rotational
coherent anti-Stokes Raman scattering
SO OPTICS LETTERS
LA English
DT Article
ID LASER-INDUCED FLUORESCENCE; GAS-PHASE THERMOMETRY; RAYLEIGH-SCATTERING;
CARS MEASUREMENTS; SPECTROSCOPY; TEMPERATURE; LINEWIDTHS; VELOCITY; SHOT
AB We investigate the feasibility of gas-phase pressure measurements using fs/ps rotational CARS. Femtosecond pump and Stokes pulses impulsively prepare a rotational Raman coherence, which is probed by a high-energy 5-ps pulse introduced at a time delay from the Raman preparation. These ultrafast laser pulses are shorter than collisional-dephasing time scales, enabling a new hybrid time- and frequency-domain detection scheme for pressure. Single-laser-shot rotational CARS spectra were recorded from N-2 contained in a room-temperature gas cell for pressures from 0.4 to 3 atm and probe delays ranging from 16 to 298 ps. Sensitivity of the accuracy and precision of the pressure data to probe delay was investigated. The technique exhibits superior precision and comparable accuracy to previous laser-diagnostic pressure measurements.
C1 [Kearney, Sean P.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA.
[Danehy, Paul M.] NASA Langley Res Ctr, Hampton, VA 23681 USA.
RP Kearney, SP (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA.
EM spkearn@sandia.gov
FU NASA Langley Research Center's Internal Research and Development (IRAD)
Program; U.S. Department of Energy (DOE) [DE-AC04-94AL85000]; Sandia
National Laboratories
FX NASA Langley Research Center's Internal Research and Development (IRAD)
Program; U.S. Department of Energy (DOE) (DE-AC04-94AL85000); Sandia
National Laboratories.
NR 17
TC 0
Z9 0
U1 2
U2 16
PU OPTICAL SOC AMER
PI WASHINGTON
PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA
SN 0146-9592
EI 1539-4794
J9 OPT LETT
JI Opt. Lett.
PD SEP 1
PY 2015
VL 40
IS 17
BP 4082
EP 4085
DI 10.1364/OL.40.004082
PG 4
WC Optics
SC Optics
GA CQ7UM
UT WOS:000360810200041
PM 26368717
ER
PT J
AU Voiniciuc, C
Schmidt, MHW
Berger, A
Yang, B
Ebert, B
Scheller, HV
North, HM
Usadel, B
Gunl, M
AF Voiniciuc, Catalin
Schmidt, Maximilian Heinrich-Wilhelm
Berger, Adeline
Yang, Bo
Ebert, Berit
Scheller, Henrik V.
North, Helen M.
Usadel, Bjoern
Guenl, Markus
TI MUCILAGE-RELATED10 Produces Galactoglucomannan That Maintains Pectin and
Cellulose Architecture in Arabidopsis Seed Mucilage
SO PLANT PHYSIOLOGY
LA English
DT Article
ID PLANT-CELL WALL; COAT EPIDERMAL-CELLS; LOCALIZED MULTIPROTEIN COMPLEXES;
SYNTHASE-LIKE GENES; MANNAN POLYSACCHARIDES; FUNCTIONAL GENOMICS;
ADHERENT MUCILAGE; FAMILY-MEMBERS; MARKER SET; IN-VITRO
AB Plants invest a lot of their resources into the production of an extracellular matrix built of polysaccharides. While the composition of the cell wall is relatively well characterized, the functions of the individual polymers and the enzymes that catalyze their biosynthesis remain poorly understood. We exploited the Arabidopsis (Arabidopsis thaliana) seed coat epidermis (SCE) to study cell wall synthesis. SCE cells produce mucilage, a specialized secondary wall that is rich in pectin, at a precise stage of development. A coexpression search for MUCILAGE-RELATED (MUCI) genes identified MUCI10 as a key determinant of mucilage properties. MUCI10 is closely related to a fenugreek (Trigonella foenumgraecum) enzyme that has in vitro galactomannan alpha-1,6-galactosyltransferase activity. Our detailed analysis of the muci10 mutants demonstrates that mucilage contains highly branched galactoglucomannan (GGM) rather than unbranched glucomannan. MUCI10 likely decorates glucomannan, synthesized by CELLULOSE SYNTHASE-LIKE A2, with galactose residues in vivo. The degree of galactosylation is essential for the synthesis of the GGM backbone, the structure of cellulose, mucilage density, as well as the adherence of pectin. We propose that GGM scaffolds control mucilage architecture along with cellulosic rays and show that Arabidopsis SCE cells represent an excellent model in which to study the synthesis and function of GGM. Arabidopsis natural varieties with defects similar to muci10 mutants may reveal additional genes involved in GGM synthesis. Since GGM is the most abundant hemicellulose in the secondary walls of gymnosperms, understanding its biosynthesis may facilitate improvements in the production of valuable commodities from softwoods.
C1 [Voiniciuc, Catalin; Schmidt, Maximilian Heinrich-Wilhelm; Usadel, Bjoern; Guenl, Markus] Forschungszentrum Julich, Inst Biosci & Geosci Plant Sci, D-52425 Julich, Germany.
[Voiniciuc, Catalin; Schmidt, Maximilian Heinrich-Wilhelm; Yang, Bo; Usadel, Bjoern] Rhein Westfal TH Aachen, BioEcon Sci Ctr, Inst Bot & Mol Genet, D-52056 Aachen, Germany.
[Berger, Adeline; North, Helen M.] ERL Ctr Natl Rech Sci 3559, Saclay Plant Sci, Inst Natl Rech Agron, F-78026 Versailles, France.
[Berger, Adeline; North, Helen M.] ERL Ctr Natl Rech Sci 3559, Saclay Plant Sci, AgroParisTech, Inst Jean Pierre Bourgin,Unite Mixte Rech 1318, F-78026 Versailles, France.
[Ebert, Berit; Scheller, Henrik V.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94702 USA.
[Ebert, Berit; Scheller, Henrik V.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94702 USA.
[Scheller, Henrik V.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
RP Voiniciuc, C (reprint author), Forschungszentrum Julich, Inst Biosci & Geosci Plant Sci, D-52425 Julich, Germany.
EM c.voiniciuc@fz-juelich.de
RI Ebert, Berit/F-1856-2016; Usadel, Bjorn/E-1932-2011; Scheller,
Henrik/A-8106-2008;
OI Ebert, Berit/0000-0002-6914-5473; Scheller, Henrik/0000-0002-6702-3560;
Yang, Bo/0000-0003-4446-0415; Schmidt, Maximilian
Heinrich-Wilhelm/0000-0003-4576-6774; Voiniciuc,
Catalin/0000-0001-9105-014X
FU Natural Sciences and Engineering Research Council of Canada [PGS-D3];
Saclay Plant Sciences; Ministry of Innovation, Science, and Research of
North-Rhine Westphalia (NRW); NRW Strategieprojekt BioSC
[313/323-400-00213]; China Scholarship Council [201206760005]; U.S.
Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]; Lawrence Berkeley National
Laboratory; U.S. Department of Energy
FX This work was supported by the Natural Sciences and Engineering Research
Council of Canada (PGS-D3 grant to C.V.); by Saclay Plant Sciences (a
travel grant to C.V.); by the Ministry of Innovation, Science, and
Research of North-Rhine Westphalia (NRW), within the framework of the
NRW Strategieprojekt BioSC (grant no. 313/323-400-00213 to M.H.-W.S. and
B.U.); by the China Scholarship Council (grant no. 201206760005 to
B.Y.); and by the U.S. Department of Energy, Office of Science, Office
of Biological and Environmental Research (through contract
DE-AC02-05CH11231 between the Lawrence Berkeley National Laboratory and
the U.S. Department of Energy to B.E. and H.V.S.).
NR 102
TC 19
Z9 19
U1 3
U2 23
PU AMER SOC PLANT BIOLOGISTS
PI ROCKVILLE
PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA
SN 0032-0889
EI 1532-2548
J9 PLANT PHYSIOL
JI Plant Physiol.
PD SEP
PY 2015
VL 169
IS 1
BP 403
EP +
DI 10.1104/pp.15.00851
PG 33
WC Plant Sciences
SC Plant Sciences
GA CQ9JM
UT WOS:000360930600033
PM 26220953
ER
PT J
AU Liu, Q
Chai, J
Moche, M
Guy, J
Lindqvist, Y
Shanklin, J
AF Liu, Qin
Chai, Jin
Moche, Martin
Guy, Jodie
Lindqvist, Ylva
Shanklin, John
TI Half-of-the-Sites Reactivity of the Castor Delta 9-18:0-Acyl Carrier
Protein Desaturase
SO PLANT PHYSIOLOGY
LA English
DT Article
ID ESCHERICHIA-COLI; ACP DESATURASE; FATTY-ACIDS; RIBONUCLEOTIDE REDUCTASE;
SUBSTRATE-SPECIFICITY; CRYSTAL-STRUCTURE; IN-VIVO; PLANTS; COMPONENT;
SEED
AB Fatty acid desaturases regulate the unsaturation status of cellular lipids. They comprise two distinct evolutionary lineages, a soluble class found in the plastids of higher plants and an integral membrane class found in plants, yeast (Saccharomyces cerevisiae), animals, and bacteria. Both classes exhibit a dimeric quaternary structure. Here, we test the functional significance of dimeric organization of the soluble castor Delta 9-18:0-acyl carrier protein desaturase, specifically, the hypothesis that the enzyme uses an alternating subunit half-of-the-sites reactivity mechanism whereby substrate binding to one subunit is coordinated with product release from the other subunit. Using a fluorescence resonance energy transfer assay, we demonstrated that dimers stably associate at concentrations typical of desaturase assays. An active site mutant T104K/S202E, designed to occlude the substrate binding cavity, was expressed, purified, and its properties validated by x-ray crystallography, size exclusion chromatography, and activity assay. Heterodimers comprising distinctly tagged wild-type and inactive mutant subunits were purified at 1:1 stoichiometry. Despite having only one-half the number of active sites, purified heterodimers exhibit equivalent activity to wild-type homodimers, consistent with half-of-the-sites reactivity. However, because multiple rounds of turnover were observed, we conclude that substrate binding to one subunit is not required to facilitate product release from the second subunit. The observed half-of-the-sites reactivity could potentially buffer desaturase activity from oxidative inactivation. That soluble desaturases require only one active subunit per dimer for full activity represents a mechanistic difference from the membrane class of desaturases such as the Delta 9-acyl-CoA, Ole1p, from yeast, which requires two catalytically competent subunits for activity.
C1 [Liu, Qin; Chai, Jin; Shanklin, John] Brookhaven Natl Lab, Biol Environm & Climate Sci, Upton, NY 11973 USA.
[Moche, Martin; Guy, Jodie; Lindqvist, Ylva] Karolinska Inst, Dept Med Biochem & Biophys, Mol Struct Biol, SE-17177 Stockholm, Sweden.
RP Shanklin, J (reprint author), Brookhaven Natl Lab, Biol Environm & Climate Sci, Upton, NY 11973 USA.
EM shanklin@bnl.gov
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences of the U.S. Department of Energy [DOE KC0304000];
Swedish Research Council. Use of the National Synchrotron Light Source,
Brookhaven National Laboratory; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX This work was supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences of the
U.S. Department of Energy (grant no. DOE KC0304000) and the Swedish
Research Council. Use of the National Synchrotron Light Source,
Brookhaven National Laboratory, was supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences (contract no.
DE-AC02-98CH10886).
NR 47
TC 1
Z9 1
U1 3
U2 12
PU AMER SOC PLANT BIOLOGISTS
PI ROCKVILLE
PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA
SN 0032-0889
EI 1532-2548
J9 PLANT PHYSIOL
JI Plant Physiol.
PD SEP
PY 2015
VL 169
IS 1
BP 432
EP 441
DI 10.1104/pp.15.00622
PG 10
WC Plant Sciences
SC Plant Sciences
GA CQ9JM
UT WOS:000360930600035
PM 26224800
ER
PT J
AU Riddle, M
Macal, CM
Conzelmann, G
Combs, TE
Bauer, D
Fields, F
AF Riddle, Matthew
Macal, Charles M.
Conzelmann, Guenter
Combs, Todd E.
Bauer, Diana
Fields, Fletcher
TI Global critical materials markets: An agent-based modeling approach
SO RESOURCES POLICY
LA English
DT Article
DE Dysprosium; Neodymium; Rare earth; Critical material; Supply chain;
Agent-based model
ID RARE-EARTH-ELEMENTS; STRATEGIES
AB As part of efforts to position the United States as a leader in clean energy technology production, the U. S. Department of Energy (DOE) issued two Critical Materials Strategy reports, which assessed 16 materials on the basis of their importance to clean energy development and their supply risk (DOE, 2010, 2011). To understand the implications for clean energy of disruptions in supplies of critical materials, it is important to understand supply chain dynamics from mining to final product production. As a case study of critical material supply chains, we focus on the supply of two rare earth metals, neodymium (Nd) and dysprosium (Dy), for permanent magnets used in wind turbines, electric vehicles and other applications. We introduce GCMat, a dynamic agent-based model that includes interacting agents at five supply chain stages consisting of mining, metal refining, magnet production, final product production and demand. Agents throughout the supply chain make pricing, production and inventory management decisions. Deposit developers choose which deposits to develop based on market conditions and detailed data on 57 rare earth deposits. Wind turbine and electric vehicle producers choose from a set of possible production technologies that require different amounts of rare earths. We ran the model under a baseline scenario and four alternative scenarios with different demand and production technology inputs. Model results from 2010 to 2013 fit well with historical data. Projections through 2025 show a number of possible future price, demand, and supply trajectories. For each scenario, we highlight reasons for turning points under market conditions, for differences between Nd and Dy markets, and for differences between scenarios. Because GCMat can model causal dynamics and provide fine-grain representation of agents and their decisions, it provides explanations for turning points under market conditions that are not otherwise available from other modeling approaches. Our baseline projections show very different behaviors for Nd and Dy prices. Nd prices continue to drop and remain low even at the end of our simulation period as new capacity comes online and leads to a market in which production capacity outpaces demand. Dy price movements, on the other hand, change directions several times with several key turning points related to inventory behaviors of particular agents in the supply chain and asymmetric supply and demand trends. Scenario analyses show the impact of stronger demand growth for rare earths, and in particular finds that Nd price impacts are significantly delayed as compared to Dy. This is explained by the substantial excess production capacity for Nd in the early simulation years that keeps prices down. Scenarios that explore the impact of reducing the Dy content of magnets show the intricate interdependencies of these two markets as price trends for both rare earths reverse directions - reducing the Dy content of magnets reduces Dy demand, which drives down Dy prices and translates into lower magnet prices. This in turn raises the demand for magnets and therefore the demand for Nd and eventually drives up the Nd price. Published by Elsevier Ltd.
C1 [Riddle, Matthew; Conzelmann, Guenter] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Macal, Charles M.; Combs, Todd E.] Argonne Natl Lab, Global Secur Sci Div, Argonne, IL 60439 USA.
[Bauer, Diana; Fields, Fletcher] US DOE, Off Energy Policy & Syst Anal, Washington, DC 20585 USA.
RP Riddle, M (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Argonne, IL 60439 USA.
EM meriddle@anl.gov
FU DOE [DE-AC02-06CH11357]
FX This work is supported by DOE under Contract number DE-AC02-06CH11357.
The data and views expressed in this paper are those of the authors and
are not endorsed by the U.S. Department of Energy or the United States
government. The sponsor has played an important role in study design,
collection of data, model development, results analysis and writing. We
would like to thank Matthew Hart and Jennifer Li for their work on data
compilation and analysis. We would like to thank several anonymous
stakeholders for their review and evaluation of model assumptions and
results and for their suggestions for improvements.
NR 35
TC 0
Z9 0
U1 4
U2 22
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0301-4207
EI 1873-7641
J9 RESOUR POLICY
JI Resour. Policy
PD SEP
PY 2015
VL 45
BP 307
EP 321
DI 10.1016/j.resourpol.2015.01.002
PG 15
WC Environmental Studies
SC Environmental Sciences & Ecology
GA CQ9QZ
UT WOS:000360951300031
ER
PT J
AU Ranaivoson, FM
Liu, Q
Martini, F
Bergami, F
von Daake, S
Li, S
Lee, D
Demeler, B
Hendrickson, WA
Comoletti, D
AF Ranaivoson, Fanomezana M.
Liu, Qun
Martini, Francesca
Bergami, Francesco
von Daake, Sventja
Li, Sheng
Lee, David
Demeler, Borries
Hendrickson, Wayne A.
Comoletti, Davide
TI Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex
that Mediates Glutamatergic Synapse Development
SO STRUCTURE
LA English
DT Article
ID LEUCINE-RICH REPEAT; NATIVE BIOLOGICAL MACROMOLECULES; ANOMALOUS
DIFFRACTION; OLFACTOMEDIN DOMAIN; ALPHA-LATROTOXIN; BETA-PROPELLER;
CELL-ADHESION; PROTEINS; LPHN3; ADHD
AB Latrophilins (LPHNs) are adhesion-like G-protein-coupled receptors implicated in attention-deficit/hyperactivity disorder. Recently, LPHN3 was found to regulate excitatory synapse number through trans interactions with fibronectin leucine-rich repeat transmembrane 3 (FLRT3). By isothermal titration calorimetry, we determined that only the olfactomedin (OLF) domain of LPHN3 is necessary for FLRT3 association. By multi-crystal native single-wavelength anomalous diffraction phasing, we determined the crystal structure of the OLF domain. This structure is a five-bladed beta propeller with a Ca2+ ion bound in the central pore, which is capped by a mobile loop that allows the ion to exchange with the solvent. The crystal structure of the OLF/FLRT3 complex shows that LPHN3-OLF in the closed state binds with high affinity to the concave face of FLRT3-LRR with a combination of hydrophobic and charged residues. Our study provides structural and functional insights into the molecular mechanism underlying the contribution of LPHN3/FLRT3 to the development of glutamatergic synapses.
C1 [Ranaivoson, Fanomezana M.; Martini, Francesca; Bergami, Francesco; von Daake, Sventja; Comoletti, Davide] Rutgers State Univ, Robert Wood Johnson Med Sch, Child Hlth Inst New Jersey, New Brunswick, NJ 08901 USA.
[Ranaivoson, Fanomezana M.; Martini, Francesca; Bergami, Francesco; von Daake, Sventja; Comoletti, Davide] Rutgers State Univ, Robert Wood Johnson Med Sch, Dept Neurosci & Cell Biol, New Brunswick, NJ 08901 USA.
[Liu, Qun; Hendrickson, Wayne A.] Brookhaven Natl Lab, NSLSII, New York Struct Biol Ctr, Upton, NY 11973 USA.
[Li, Sheng; Lee, David] Univ Calif San Diego, Dept Med, La Jolla, CA 92093 USA.
[Demeler, Borries] Univ Texas Hlth Sci Ctr San Antonio, Dept Biochem, San Antonio, TX 78229 USA.
[Hendrickson, Wayne A.] Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10032 USA.
[Comoletti, Davide] Rutgers State Univ, Robert Wood Johnson Med Sch, Dept Pediat, New Brunswick, NJ 08901 USA.
RP Comoletti, D (reprint author), Rutgers State Univ, Robert Wood Johnson Med Sch, Child Hlth Inst New Jersey, 89 French St, New Brunswick, NJ 08901 USA.
EM comoleda@rwjms.rutgers.edu
FU NIH [MH092906, R01AI081982, R01GM020501, R01AI101436]; Robert Wood
Johnson Foundation [67038, GM107462]; National Science Foundation
[NSF-ACI-1339649, TG-MCB070039N]; New York Structural Biology Center at
the NSLS of Brookhaven National Laboratory, a DOE facility; NSF;
NIH/NIGMS via NSF [DMR-0936384, DMR-1332208]; NIGMS [GM-103485]
FX We thank Randy Abramowitz at National Synchrotron Light Source (NSLS)
beamlines X4A and X4C and the MacCHESS staff for their assistance in
data collection, and the superb support provided by Virgil Schirf
(CAUMA) and others of the staff at the Texas Advanced Computing Center
at the University of Texas at Austin. This work was supported by NIH
grants MH092906 and grant #67038 from the Robert Wood Johnson Foundation
to the Child Health Institute of New Jersey to D.C., GM107462 to W.A.H.,
and NIH R01AI081982, R01GM020501, R01AI101436 to S.L. The development of
the UltraScan software is supported by National Science Foundation grant
NSF-ACI-1339649 to B.D. Supercomputer time allocations were provided
through National Science Foundation grant TG-MCB070039N to B.D. X4
beamlines are supported by the New York Structural Biology Center at the
NSLS of Brookhaven National Laboratory, a DOE facility. CHESS is
supported by the NSF and NIH/NIGMS via NSF awards DMR-0936384 and
DMR-1332208, and the MacCHESS resource is supported by NIGMS award
GM-103485. We thank other members of the Comoletti Lab, and especially
Ian Hagee for his excellent technical support during protein expression
and purification.
NR 34
TC 3
Z9 4
U1 0
U2 6
PU CELL PRESS
PI CAMBRIDGE
PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA
SN 0969-2126
EI 1878-4186
J9 STRUCTURE
JI Structure
PD SEP 1
PY 2015
VL 23
IS 9
BP 1665
EP 1677
DI 10.1016/j.str.2015.06.022
PG 13
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA CR1VJ
UT WOS:000361113000012
PM 26235031
ER
PT J
AU Leibly, DJ
Arbing, MA
Pashkov, I
DeVore, N
Waldo, GS
Terwilliger, TC
Yeates, TO
AF Leibly, David J.
Arbing, Mark A.
Pashkov, Inna
DeVore, Natasha
Waldo, Geoffrey S.
Terwilliger, Thomas C.
Yeates, Todd O.
TI A Suite of Engineered GFP Molecules for Oligomeric Scaffolding
SO STRUCTURE
LA English
DT Article
ID GREEN FLUORESCENT PROTEIN; SPATIAL-ORGANIZATION; CRYSTALLIZATION;
RADIATION; ENTROPY; ENZYMES; CARRIER; DAMAGE
AB Applications ranging from synthetic biology to protein crystallization could be advanced by facile systems for connecting multiple proteins together in predefined spatial relationships. One approach to this goal is to engineer many distinct assembly forms of a single carrier protein or scaffold, to which other proteins of interest can then be readily attached. In this work we chose GFP as a scaffold and engineered many alternative oligomeric forms, driven by either specific disulfide bond formation or metal ion addition. We generated a wide range of spatial arrangements of GFP subunits from 11 different oligomeric variants, and determined their X-ray structures in a total of 33 distinct crystal forms. Some of the oligomeric GFP variants show geometric polymorphism depending on conditions, while others show considerable geometric rigidity. Potential future applications of this system are discussed.
C1 [Leibly, David J.; Yeates, Todd O.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
[Leibly, David J.; Arbing, Mark A.; Pashkov, Inna; Yeates, Todd O.] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA.
[DeVore, Natasha; Waldo, Geoffrey S.; Terwilliger, Thomas C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA.
RP Yeates, TO (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
EM yeates@mbi.ucla.edu
RI Terwilliger, Thomas/K-4109-2012;
OI Terwilliger, Thomas/0000-0001-6384-0320; Yeates,
Todd/0000-0001-5709-9839
FU NIH [P01 GM098177, RR-15301(NCRR)]; Ruth L. Kirschstein National
Research Service Award [T32GM007185]; BER program of the DOE Office of
Science [DE-FC02-02ER63421]; DOE [DE-FC02-02ER63421]; NECAT beamlines of
the Advanced Photon Source; DOE, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX This work was supported by NIH grant P01 GM098177 (to T.C.T.). D.J.L.
was supported by Ruth L. Kirschstein National Research Service Award
T32GM007185. The authors thank Michael Sawaya, Duilio Cascio, and
Michael Thompson for X-ray data collection at APS beamline 24-ID-C. We
thank Michael Collazo for help with the crystallization trials, and Dan
McNamara for help with structure determinations. The UCLA macromolecular
structure facilities are supported by the BER program of the DOE Office
of Science (award DE-FC02-02ER63421). We thank David Baker and Fabio
Parmeggiani for providing the designed protein as a target for
fusion-based crystallization experiments. We thank the staff of the
NECAT synchrotron beamline, including Jon Schuermann, Igor Kourinov, and
Malcolm Capel, and for helpful discussions. X-ray data collection was
supported by DOE Grant DE-FC02-02ER63421 and the NECAT beamlines of the
Advanced Photon Source, which are supported by NIH Grant RR-15301(NCRR).
Use of the Advanced Photon Source is supported by the DOE, Office of
Basic Energy Sciences, under Contract DE-AC02-06CH11357.
NR 43
TC 3
Z9 3
U1 2
U2 15
PU CELL PRESS
PI CAMBRIDGE
PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA
SN 0969-2126
EI 1878-4186
J9 STRUCTURE
JI Structure
PD SEP 1
PY 2015
VL 23
IS 9
BP 1754
EP 1768
DI 10.1016/j.str.2015.07.008
PG 15
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA CR1VJ
UT WOS:000361113000020
PM 26278175
ER
PT J
AU Fang, Y
Tai, YY
Deng, JK
Wu, C
Ding, XD
Sun, J
Salje, EKH
AF Fang, Yong
Tai, Yuan-Yen
Deng, Junkai
Wu, Chao
Ding, Xiangdong
Sun, Jun
Salje, Ekhard K. H.
TI Fe-vacancy ordering in superconducting K1-xFe2-ySe2: first-principles
calculations and Monte Carlo simulations
SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY
LA English
DT Article
DE Fe-vacancy ordered structure; DFT calculations; MC phase diagram;
K1-xFe2-ySe2
ID ELECTRONS; METALS; IRON
AB Fe vacancies in the 33 K superconductor K1-xFe2-ySe2 show ordering schemes that may be correlated with its superconducting properties. First-principles calculations and kinetic Monte Carlo simulations lead to a very simple model for vacancy ordering. Repulsive dipolar interactions between Fe vacancies show three ground states: a root 8 x root 10 rhombus-ordered structure for 12.5% vacancies, a root 5 x root 5 squared lattice for 20% vacancies, and a root 5 x root 5 rhombus-ordered structure for 25% vacancies. Other structural states are derived from these three ground states and may contain additional disordered spatial regions. The repulsive interaction between Fe vacancies arises from enhanced Fe-Se covalent bonds, which differs from the well-known attractive interaction of Fe vacancies in body-centered cubic Fe.
C1 [Fang, Yong; Deng, Junkai; Wu, Chao; Ding, Xiangdong; Sun, Jun; Salje, Ekhard K. H.] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
[Tai, Yuan-Yen] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Wu, Chao] Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710049, Peoples R China.
[Salje, Ekhard K. H.] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England.
RP Fang, Y (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
EM dingxd@mail.xjtu.edu.cn; ekhard@esc.cam.ac.uk
RI Ding, Xiangdong/K-4971-2013; Deng, Junkai/E-2315-2012;
OI Ding, Xiangdong/0000-0002-1220-3097; wu, chao/0000-0002-8573-7196
FU Natural Science Foundation of China [51171140, 51231008, 51320105014,
51321003, 51471126]; Program of Introducing Talents of Discipline to
Universities in China project [B06025]; EPSRC [EP/K009702/1]; US DOE
through the LANL LDRD Program [DE-AC52-06NA25396]
FX We are grateful to the Natural Science Foundation of China (51171140,
51231008, 51320105014, 51321003, and 51471126), and the Program of
Introducing Talents of Discipline to Universities in China project
(B06025). EKHS is grateful to EPSRC for funding (Grant No.
EP/K009702/1). YYT was supported by the US DOE Contract No.
DE-AC52-06NA25396 through the LANL LDRD Program.
NR 27
TC 0
Z9 0
U1 4
U2 15
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-2048
EI 1361-6668
J9 SUPERCOND SCI TECH
JI Supercond. Sci. Technol.
PD SEP
PY 2015
VL 28
IS 9
AR 095004
DI 10.1088/0953-2048/28/9/095004
PG 7
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CQ9NU
UT WOS:000360942700011
ER
PT J
AU Kostin, R
Avrakhov, P
Kanareykin, A
Solyak, N
Yakovlev, V
Kazakov, S
Wu, GF
Khabiboulline, T
Rowe, A
Rathke, J
AF Kostin, Roman
Avrakhov, Pavel
Kanareykin, Alexei
Solyak, Nikolay
Yakovlev, Vyacheslav
Kazakov, Sergey
Wu, Genfa
Khabiboulline, Timergali
Rowe, Allan
Rathke, John
TI A high gradient test of a single-cell superconducting radio frequency
cavity with a feedback waveguide
SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY
LA English
DT Article
DE superconducting traveling wave cavity; superconductivity at radio
frequency; high gradient accelerating cavity; high transit time factor
cavity
AB The most severe problem of the international linear collider (ILC-type) is its high cost, resulting in part from the enormous length of the collider. This length is determined mainly by the achievable accelerating gradient in the RF system of the collider. In current technology, the maximum acceleration gradient in superconducting (SC) structures is determined mainly by the value of the surface RF magnetic field. In order to increase the gradient, a superconducting traveling wave accelerating (STWA) structure is suggested. Utilization of STWA structure with small phase advance per cell for future high energy linear colliders such as ILCs may provide an accelerating gradient 1.2-1.4 times larger [1] than a standing wave structure. However, STWA structure requires a feedback waveguide for power redirecting from the end of the structure back to the front end of accelerating structure. Recent tests of a 1.3 GHz model of a single-cell cavity with waveguide feedback demonstrated an accelerating gradient comparable to the gradient of a single-cell ILC-type cavity from the same manufacturer [2]. In the present paper, high gradient test results are presented.
C1 [Kostin, Roman; Avrakhov, Pavel; Kanareykin, Alexei] Euclid Techlabs LLC, Solon, OH 44139 USA.
[Solyak, Nikolay; Yakovlev, Vyacheslav; Kazakov, Sergey; Wu, Genfa; Khabiboulline, Timergali; Rowe, Allan] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Rathke, John] Adv Energy Syst, Medford, NY 11763 USA.
RP Kostin, R (reprint author), Euclid Techlabs LLC, Solon, OH 44139 USA.
EM r.kostin@euclidtechlabs.com
FU US Department of Energy SBIR Program
FX This work supported by the US Department of Energy SBIR Program.
NR 17
TC 1
Z9 1
U1 4
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-2048
EI 1361-6668
J9 SUPERCOND SCI TECH
JI Supercond. Sci. Technol.
PD SEP
PY 2015
VL 28
IS 9
AR 095007
DI 10.1088/0953-2048/28/9/095007
PG 6
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CQ9NU
UT WOS:000360942700014
ER
PT J
AU Posada, CM
Ade, PAR
Ahmed, Z
Arnold, K
Austermann, JE
Bender, AN
Bleem, LE
Benson, BA
Byrum, K
Carlstrom, JE
Chang, CL
Cho, HM
Ciocys, ST
Cliche, JF
Crawford, TM
Cukierman, A
Czaplewski, D
Ding, J
Divan, R
de Haan, T
Dobbs, MA
Dutcher, D
Everett, W
Gilbert, A
Halverson, NW
Harrington, NL
Hattori, K
Henning, JW
Hilton, GC
Holzapfel, WL
Hubmayr, J
Irwin, KD
Jeong, O
Keisler, R
Kubik, D
Kuo, CL
Lee, AT
Leitch, EM
Lendinez, S
Meyer, SS
Miller, CS
Montgomery, J
Myers, M
Nadolski, A
Natoli, T
Nguyen, H
Novosad, V
Padin, S
Pan, Z
Pearson, J
Ruhl, JE
Saliwanchik, BR
Smecher, G
Sayre, JT
Shirokoff, E
Stan, L
Stark, AA
Sobrin, J
Story, K
Suzuki, A
Thompson, KL
Tucker, C
Vanderlinde, K
Vieira, JD
Wang, G
Whitehorn, N
Yefremenko, V
Yoon, KW
Ziegler, KE
AF Posada, C. M.
Ade, P. A. R.
Ahmed, Z.
Arnold, K.
Austermann, J. E.
Bender, A. N.
Bleem, L. E.
Benson, B. A.
Byrum, K.
Carlstrom, J. E.
Chang, C. L.
Cho, H. M.
Ciocys, S. T.
Cliche, J. F.
Crawford, T. M.
Cukierman, A.
Czaplewski, D.
Ding, J.
Divan, R.
de Haan, T.
Dobbs, M. A.
Dutcher, D.
Everett, W.
Gilbert, A.
Halverson, N. W.
Harrington, N. L.
Hattori, K.
Henning, J. W.
Hilton, G. C.
Holzapfel, W. L.
Hubmayr, J.
Irwin, K. D.
Jeong, O.
Keisler, R.
Kubik, D.
Kuo, C. L.
Lee, A. T.
Leitch, E. M.
Lendinez, S.
Meyer, S. S.
Miller, C. S.
Montgomery, J.
Myers, M.
Nadolski, A.
Natoli, T.
Nguyen, H.
Novosad, V.
Padin, S.
Pan, Z.
Pearson, J.
Ruhl, J. E.
Saliwanchik, B. R.
Smecher, G.
Sayre, J. T.
Shirokoff, E.
Stan, L.
Stark, A. A.
Sobrin, J.
Story, K.
Suzuki, A.
Thompson, K. L.
Tucker, C.
Vanderlinde, K.
Vieira, J. D.
Wang, G.
Whitehorn, N.
Yefremenko, V.
Yoon, K. W.
Ziegler, K. E.
TI Fabrication of large dual-polarized multichroic TES bolometer arrays for
CMB measurements with the SPT-3G camera
SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY
LA English
DT Article
DE bolometers; TES detectors; multichroic sensors; CMB; polarimetry;
microfabrication; low loss microstrip
ID ELECTROTHERMAL FEEDBACK
AB This work presents the procedures used at Argonne National Laboratory to fabricate large arrays of multichroic transition-edge sensor (TES) bolometers for cosmic microwave background (CMB) measurements. These detectors will be assembled into the focal plane for the SPT-3G camera, the third generation CMB camera to be installed in the South Pole Telescope. The complete SPT-3G camera will have approximately 2690 pixels, for a total of 16 140 TES bolometric detectors. Each pixel is comprised of a broad-band sinuous antenna coupled to a Nb microstrip line. In-line filters are used to define the different bands before the millimeter-wavelength signal is fed to the respective Ti/Au TES bolometers. There are six TES bolometer detectors per pixel, which allow for measurements of three band-passes (95, 150 and 220 GHz) and two polarizations. The steps involved in the monolithic fabrication of these detector arrays are presented here in detail. Patterns are defined using a combination of stepper and contact lithography. The misalignment between layers is kept below 200 nm. The overall fabrication involves a total of 16 processes, including reactive and magnetron sputtering, reactive ion etching, inductively coupled plasma etching and chemical etching.
C1 [Posada, C. M.; Ding, J.; Lendinez, S.; Novosad, V.; Pearson, J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Ade, P. A. R.; Tucker, C.] Cardiff Univ, Sch Phys & Astron, Cardiff CF24 3YB, S Glam, Wales.
[Ahmed, Z.; Irwin, K. D.; Keisler, R.; Kuo, C. L.; Thompson, K. L.; Yoon, K. W.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA.
[Ahmed, Z.; Irwin, K. D.; Keisler, R.; Kuo, C. L.; Thompson, K. L.; Yoon, K. W.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA.
[Ahmed, Z.; Cho, H. M.; Irwin, K. D.; Kuo, C. L.; Thompson, K. L.; Yoon, K. W.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Arnold, K.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA.
[Austermann, J. E.; Everett, W.; Halverson, N. W.; Sayre, J. T.] Univ Colorado, CASA, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA.
[Bender, A. N.; Bleem, L. E.; Byrum, K.; Carlstrom, J. E.; Chang, C. L.; Ciocys, S. T.; Wang, G.; Yefremenko, V.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA.
[Bender, A. N.; Bleem, L. E.; Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Crawford, T. M.; Dutcher, D.; Henning, J. W.; Leitch, E. M.; Meyer, S. S.; Natoli, T.; Pan, Z.; Shirokoff, E.; Sobrin, J.; Story, K.; Ziegler, K. E.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA.
[Benson, B. A.; Kubik, D.; Nguyen, H.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Crawford, T. M.; Leitch, E. M.; Meyer, S. S.; Shirokoff, E.; Ziegler, K. E.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.
[Carlstrom, J. E.; Meyer, S. S.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA.
[Carlstrom, J. E.; Dutcher, D.; Meyer, S. S.; Natoli, T.; Pan, Z.; Sobrin, J.; Story, K.; Ziegler, K. E.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[Cliche, J. F.; de Haan, T.; Dobbs, M. A.; Gilbert, A.; Montgomery, J.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada.
[Cukierman, A.; Harrington, N. L.; Holzapfel, W. L.; Jeong, O.; Lee, A. T.; Myers, M.; Suzuki, A.; Whitehorn, N.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Czaplewski, D.; Divan, R.; Miller, C. S.; Stan, L.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Dobbs, M. A.] CIFAR Program Cosmol & Grav, Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada.
[Halverson, N. W.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA.
[Hattori, K.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan.
[Austermann, J. E.; Hilton, G. C.; Hubmayr, J.] NIST Quantum Devices Grp, Boulder, CO 80305 USA.
[Lee, A. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA.
[Padin, S.] CALTECH, Pasadena, CA 91125 USA.
[Ruhl, J. E.; Saliwanchik, B. R.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA.
[Smecher, G.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.
[Stark, A. A.] Three Speed Log Inc, Vancouver, BC V6A 2J8, Canada.
[Vanderlinde, K.] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada.
[Vanderlinde, K.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada.
[Nadolski, A.; Vieira, J. D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA.
[Vieira, J. D.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA.
RP Posada, CM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RI DING, Junjia/K-2277-2013; Novosad, V /J-4843-2015;
OI DING, Junjia/0000-0002-9917-9156; CRAWFORD, THOMAS/0000-0001-9000-5013;
Lendinez, Sergi/0000-0002-7360-1857; Tucker, Carole/0000-0002-1851-3918
FU Office of Science and the Office of Basic Energy Sciences of the US
Department of Energy [DE-AC02- 06CH11357]; National Science Foundation
(NSF) [ANT-0638937]; NSF Physics Frontiers Center [PHY-1125897]; Kavli
Foundation; Gordon and Betty Moore Foundation; NSF [AST-0956135,
AST-1402161]
FX This work was supported in part by the Office of Science and the Office
of Basic Energy Sciences of the US Department of Energy under Contract
DE-AC02- 06CH11357; by the National Science Foundation (NSF) under Grant
ANT-0638937; by the NSF Physics Frontiers Center under Grant
PHY-1125897; by The Kavli Foundation; by the Gordon and Betty Moore
Foundation; and by the NSF under Grants AST-0956135 and AST-1402161.
Technical support from the Nanofabrication Group at the Center for
Nanoscale Materials, Argonne National Laboratory, is gratefully
appreciated.
NR 31
TC 5
Z9 5
U1 4
U2 18
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-2048
EI 1361-6668
J9 SUPERCOND SCI TECH
JI Supercond. Sci. Technol.
PD SEP
PY 2015
VL 28
IS 9
AR 094002
DI 10.1088/0953-2048/28/9/094002
PG 12
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CQ9NU
UT WOS:000360942700007
ER
PT J
AU Tarantini, C
Lee, PJ
Craig, N
Ghosh, A
Larbalestier, DC
AF Tarantini, C.
Lee, P. J.
Craig, N.
Ghosh, A.
Larbalestier, D. C.
TI Examination of the trade-off between intrinsic and extrinsic properties
in the optimization of a modern internal tin Nb3Sn conductor (vol 27,
065013, 2014)
SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY
LA English
DT Correction
C1 [Tarantini, C.; Lee, P. J.; Craig, N.; Larbalestier, D. C.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
[Ghosh, A.] Brookhaven Natl Lab, Magnet Div, Upton, NY 11973 USA.
RP Tarantini, C (reprint author), Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
EM tarantini@asc.magnet.fsu.edu
RI Larbalestier, David/B-2277-2008
OI Larbalestier, David/0000-0001-7098-7208
NR 1
TC 0
Z9 0
U1 0
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-2048
EI 1361-6668
J9 SUPERCOND SCI TECH
JI Supercond. Sci. Technol.
PD SEP
PY 2015
VL 28
IS 9
AR 099501
DI 10.1088/0953-2048/28/9/099501
PG 1
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CQ9NU
UT WOS:000360942700026
ER
PT J
AU Moya, ML
Cardona, M
Wheeler, E
AF Moya, M. L.
Cardona, M.
Wheeler, E.
TI Bioprinting Vascular Networks for Engineered Tissue Constructs
SO TISSUE ENGINEERING PART A
LA English
DT Meeting Abstract
CT 4th TERMIS World Congress
CY SEP 08-11, 2015
CL Boston, MA
SP TERMIS
C1 [Moya, M. L.; Wheeler, E.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Cardona, M.] Univ Calif Davis, Davis, CA 95616 USA.
NR 0
TC 0
Z9 0
U1 3
U2 14
PU MARY ANN LIEBERT, INC
PI NEW ROCHELLE
PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA
SN 1937-3341
EI 1937-335X
J9 TISSUE ENG PT A
JI Tissue Eng. Part A
PD SEP 1
PY 2015
VL 21
SU 1
BP S42
EP S42
PG 1
WC Cell & Tissue Engineering; Biotechnology & Applied Microbiology; Cell
Biology
SC Cell Biology; Biotechnology & Applied Microbiology
GA CP9HR
UT WOS:000360205200161
ER
PT J
AU Alahuhta, M
Taylor, LE
Brunecky, R
Sammond, DW
Michener, W
Adams, MWW
Himmel, ME
Bomble, YJ
Lunin, V
AF Alahuhta, Markus
Taylor, Larry E., II
Brunecky, Roman
Sammond, Deanne W.
Michener, William
Adams, Michael W. W.
Himmel, Michael E.
Bomble, Yannick J.
Lunin, Vladimir
TI The catalytic mechanism and unique low pH optimum of
Caldicellulosiruptor bescii family 3 pectate lyase
SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
LA English
DT Article
DE lyase; PL3; catalytic mechanism; Caldicellulosiruptor; thermostable
ID MACROMOLECULAR CRYSTALLOGRAPHY; ERWINIA-CHRYSANTHEMI; BETA-ELIMINATION;
CARBON ACIDS; PROTON ABSTRACTION; CRYSTAL-STRUCTURE; ACTIVE-SITE;
REFINEMENT; PECTIN; RESOLUTION
AB The unique active site of the Caldicellulosiruptor bescii family 3 pectate lyase (PL3) enzyme has been thoroughly characterized using a series of point mutations, X-ray crystallography, pK(a) calculations and biochemical assays. The X-ray structures of seven PL3 active-site mutants, five of them in complex with intact trigalacturonic acid, were solved and characterized structurally, biochemically and computationally. The results confirmed that Lys108 is the catalytic base, but there is no clear candidate for the catalytic acid. However, the reaction mechanism can also be explained by an antiperiplanar trans-elimination reaction, in which Lys108 abstracts a proton from the C5 atom without the help of simultaneous proton donation by an acidic residue. An acidified water molecule completes the anti beta-elimination reaction by protonating the O4 atom of the substrate. Both the C5 hydrogen and C4 hydroxyl groups of the substrate must be orientated in axial configurations, as for galacturonic acid, for this to be possible. The wild-type C. bescii PL3 displays a pH optimum that is lower than that of Bacillus subtilis PL1 according to activity measurements, indicating that C. bescii PL3 has acquired a lower pH optimum by utilizing lysine instead of arginine as the catalytic base, as well as by lowering the pKa of the catalytic base in a unique active-site environment.
C1 [Alahuhta, Markus; Taylor, Larry E., II; Brunecky, Roman; Sammond, Deanne W.; Michener, William; Himmel, Michael E.; Bomble, Yannick J.; Lunin, Vladimir] Natl Renewable Energy Lab, BioSci Ctr, Golden, CO 80401 USA.
[Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA.
RP Lunin, V (reprint author), Natl Renewable Energy Lab, BioSci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM vladimir.lunin@nrel.gov
FU US DOE Office of Science, Biological and Environmental Research Program,
Bioenergy Research Center (BioEnergy Science Center, BESC); US
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-76SF00515]; DOE Office of Biological and Environmental
Research; National Institutes of Health, National Institute of General
Medical Sciences [P41GM103393]
FX This work was funded by the US DOE Office of Science, Biological and
Environmental Research Program, Bioenergy Research Center (BioEnergy
Science Center, BESC) managed by Oak Ridge National Laboratory. Use of
the Stanford Synchrotron Radiation Lightsource, SLAC National
Accelerator Laboratory is supported by the US Department of Energy,
Office of Science, Office of Basic Energy Sciences under Contract No.
DE-AC02-76SF00515. The SSRL Structural Molecular Biology Program is
supported by the DOE Office of Biological and Environmental Research and
by the National Institutes of Health, National Institute of General
Medical Sciences (including P41GM103393). The contents of this
publication are solely the responsibility of the authors and do not
necessarily represent the official views of NIGMS or NIH.
NR 45
TC 0
Z9 0
U1 3
U2 15
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2059-7983
J9 ACTA CRYSTALLOGR D
JI Acta Crystallogr. Sect. D-Struct. Biol.
PD SEP
PY 2015
VL 71
BP 1946
EP 1954
DI 10.1107/S1399004715013760
PN 9
PG 9
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA CQ5OH
UT WOS:000360654300016
PM 26327384
ER
PT J
AU Shabalin, I
Dauter, Z
Jaskolski, M
Minor, W
Wlodawer, A
AF Shabalin, Ivan
Dauter, Zbigniew
Jaskolski, Mariusz
Minor, Wladek
Wlodawer, Alexander
TI Crystallography and chemistry should always go together: a cautionary
tale of protein complexes with cisplatin and carboplatin
SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
LA English
DT Article
DE cisplatin; carboplatin; crystal structure; error corrections; structural
databases; structure re-refinement; validation; data reprocessing;
reproducibility
ID X-RAY-DIFFRACTION; EGG-WHITE LYSOZYME; CRYSTAL-STRUCTURES;
ELECTRON-DENSITY; MACROMOLECULAR STRUCTURES; SUPEROXIDE-DISMUTASE;
STRUCTURE VALIDATION; CHEMICAL CONVERSION; DATA-BANK; BINDING
AB The anticancer activity of platinum-containing drugs such as cisplatin and carboplatin is considered to primarily arise from their interactions with nucleic acids; nevertheless, these drugs, or the products of their hydrolysis, also bind to proteins, potentially leading to the known side effects of the treatments. Here, over 40 crystal structures deposited in the Protein Data Bank (PDB) of cisplatin and carboplatin complexes of several proteins were analysed. Significant problems of either a crystallographic or a chemical nature were found in most of the presented atomic models and they could be traced to less or more serious deficiencies in the data-collection and refinement procedures. The re-evaluation of these data and models was possible thanks to their mandatory or voluntary deposition in publicly available databases, emphasizing the point that the availability of such data is critical for making structural science reproducible. Based on this analysis of a selected group of macromolecular structures, the importance of deposition of raw diffraction data is stressed and a procedure for depositing, tracking and using re-refined crystallographic models is suggested.
C1 [Shabalin, Ivan; Minor, Wladek] Univ Virginia, Dept Mol Physiol & Biol Phys, Charlottesville, VA 22908 USA.
[Dauter, Zbigniew] Argonne Natl Lab, NCI, Synchrotron Radiat Res Sect, MCL, Argonne, IL 60439 USA.
[Jaskolski, Mariusz] Adam Mickiewicz Univ, Fac Chem, Dept Crystallog, PL-60780 Poznan, Poland.
[Jaskolski, Mariusz] Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, Poznan, Poland.
[Wlodawer, Alexander] NCI, Prot Struct Sect, MCL, Frederick, MD 21702 USA.
RP Dauter, Z (reprint author), Argonne Natl Lab, NCI, Synchrotron Radiat Res Sect, MCL, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM dauter@anl.gov; wlodawer@nih.gov
RI Shabalin, Ivan/H-1902-2016;
OI Shabalin, Ivan/0000-0003-3955-9242; Minor, Wladek/0000-0001-7075-7090
FU Intramural Research Program of the National Cancer Institute, Center for
Cancer Research; National Science Center (Poland) [2013/10/M/NZ1/00251];
NIAID, NIH, Department of Health and Human Services [HHSN272200700058C];
NIGMS [GM094585, GM094662, GM093342]
FX We would like to thank Nicholas P. Farrell and Przemek Porebski for
valuable discussions and Joanna Raczynska for reading the manuscript.
This project was supported in part by the Intramural Research Program of
the National Cancer Institute, Center for Cancer Research. The
collaboration of MJ and ZD was supported in part by a grant
(2013/10/M/NZ1/00251) from the National Science Center (Poland). IS and
WM were supported by federal funds from the NIAID, NIH, Department of
Health and Human Services under Contract No. HHSN272200700058C and by
NIGMS grants GM094585, GM094662 and GM093342.
NR 63
TC 17
Z9 17
U1 2
U2 30
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2059-7983
J9 ACTA CRYSTALLOGR D
JI Acta Crystallogr. Sect. D-Struct. Biol.
PD SEP
PY 2015
VL 71
BP 1965
EP 1979
DI 10.1107/S139900471500629X
PN 9
PG 15
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA CQ5OH
UT WOS:000360654300018
PM 26327386
ER
PT J
AU Serrano-Posada, H
Centeno-Leija, S
Rojas-Trejo, S
Stojanoff, V
Rodriguez-Sanoja, R
Rudino-Pinera, E
Sanchez, S
AF Serrano-Posada, Hugo
Centeno-Leija, Sara
Rojas-Trejo, Sonia
Stojanoff, Vivian
Rodriguez-Sanoja, Romina
Rudino-Pinera, Enrique
Sanchez, Sergio
TI Crystallization and X-ray diffraction analysis of a putative bacterial
class I labdane-related diterpene synthase
SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS
LA English
DT Article
DE diterpene synthase; genome mining; labdane-related diterpenoid;
Streptomyces
ID CYCLASES
AB Labdane-related diterpenoids are natural products with potential pharmaceutical applications that are rarely found in bacteria. Here, a putative class I labdane-related diterpene synthase (LrdC) identified by genome mining in a streptomycete was successfully crystallized using the microbatch method. Crystals of the LrdC enzyme were obtained in a holo form with its natural cofactor Mg2+ (LrdC-Mg2+) and in complex with inorganic pyrophosphate (PPi) (LrdC-Mg2+-PPi). Crystals of native LrdC-Mg2+ diffracted to 2.50 angstrom resolution and belonged to the trigonal space group P3(2)21, with unit-cell parameters a = b = 107.1, c = 89.2 angstrom. Crystals of the LrdC-Mg2+-PPi complex grown in the same conditions as the native enzyme with PEG 8000 diffracted to 2.36 angstrom resolution and also belonged to the trigonal space group P3(2)21. Crystals of the LrdC-Mg2+-PPi complex grown in a second crystallization condition with PEG 3350 diffracted to 2.57 angstrom resolution and belonged to the monoclinic space group P2(1), with unit-cell parameters a = 49.9, b = 104.1, c = 66.5 angstrom, beta = 111.4 degrees. The structure was determined by the single-wavelength anomalous dispersion (SAD) technique using the osmium signal from a potassium hexachloroosmate (IV) derivative.
C1 [Serrano-Posada, Hugo; Centeno-Leija, Sara; Rodriguez-Sanoja, Romina; Sanchez, Sergio] Univ Nacl Autonoma Mexico, Dept Biol Mol & Biotecnol, Inst Invest Biomed, Mexico City 04510, DF, Mexico.
[Rojas-Trejo, Sonia; Rudino-Pinera, Enrique] Univ Nacl Autonoma Mexico, Dept Med Mol & Bioproc, Inst Biotecnol, Cuernavaca 62210, Morelos, Mexico.
[Stojanoff, Vivian] Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA.
RP Sanchez, S (reprint author), Univ Nacl Autonoma Mexico, Dept Biol Mol & Biotecnol, Inst Invest Biomed, Ciudad Univ, Mexico City 04510, DF, Mexico.
EM sersan@biomedicas.unam.mx
RI Rodriguez Sanoja, Romina/C-5333-2009;
OI Rodriguez Sanoja, Romina/0000-0002-2722-5432; Serrano-Posada,
Hugo/0000-0002-7901-475X
FU CONACyT; DGAPA-UNAM; CONACyT [CB-219686]; PAPIIT [IN201413]
FX HSP and SCL were supported by postdoctoral fellowships from CONACyT and
DGAPA-UNAM, respectively. SS acknowledges financial support from CONACyT
project CB-219686 and PAPIIT IN201413. We thank MSc Silvia Guzman-Trampe
for providing the draft genome sequence of Streptomyces sp. K155. We are
also grateful to the staff at NSLS beamline X25 and APS beamline 19BM
for data-collection facilities, in particular Dr Norma Duke. We also
thank Dr Andres Zarate-Romero, Dr Eugenio De la Mora and Francisco
Murphy Perez for assistance during data collection. We are indebted to
Dr Beatriz Ruiz-Villafan and Marco A. Ortiz for technical assistance and
strain preservation.
NR 19
TC 0
Z9 0
U1 2
U2 6
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2053-230X
J9 ACTA CRYSTALLOGR F
JI Acta Crystallogr. F-Struct. Biol. Commun.
PD SEP
PY 2015
VL 71
BP 1194
EP 1199
DI 10.1107/S2053230X15014363
PN 9
PG 6
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA CQ5NS
UT WOS:000360652600014
PM 26323307
ER
PT J
AU Lee, JR
Cho, CM
Park, CY
Truong, CT
Shin, HJ
Jeong, H
Flynn, EB
AF Lee, Jung-Ryul
Cho, Chang Min
Park, Chan Yik
Chung Thanh Truong
Shin, Hye Jin
Jeong, Hyomi
Flynn, Eric B.
TI Spar disbond visualization in in-service composite UAV with ultrasonic
propagation imager
SO AEROSPACE SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Ultrasonic propagation imager; Composite wing aircraft; Adjacent waves
subtraction; Wavenumber domain filtering algorithm; Composite disbond
ID WAVE-PROPAGATION; IMAGING METHOD
AB Composite materials have been increasingly used for aircraft structures due to their major advantage of being lightweight compared to metallic materials. However, the drawback of composite materials is that they easily sustain disbond damages due to load and impacts during manufacture or service. An effective quality control management system for aircrafts is required for early detection and early response to such critical damages. This paper reports the application of the Ultrasonic Propagation Imager (UPI) for damage inspection of an in-service aircraft. The inspection task took place at a Korean air force base in May 2013 with the objective of determining the structural condition of the composite aircraft wing at various areas where disbond damages were suspected. The existence of many structural features such as multiple rivets and spars complicated the task since those additional structural features interfere with the laser ultrasonic waves. By developing a novel wavenumber domain filtering algorithm, we successfully detected the disbond damages on the aircraft wing. This result proved the feasibility of the UPI to serve as an effective structural health management system for real-world aircraft applications. (C) 2015 Elsevier Masson SAS. All rights reserved.
C1 [Lee, Jung-Ryul; Chung Thanh Truong] Korea Adv Inst Sci & Technol, Dept Aerosp Engn, Taejon 305701, South Korea.
[Lee, Jung-Ryul] X NDT Inc, Seoul, South Korea.
[Cho, Chang Min; Park, Chan Yik] Agcy Def Dev, Aeronaut Technol Directorate, Jeonju Si, Jeollabuk Do, South Korea.
[Shin, Hye Jin; Jeong, Hyomi] Chonbuk Natl Univ, LANL CBNU Engn Inst Korea, Jeonju Si, Jeollabuk Do, South Korea.
[Flynn, Eric B.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA.
RP Lee, JR (reprint author), Korea Adv Inst Sci & Technol, Dept Aerosp Engn, 291 Daehak Ro, Taejon 305701, South Korea.
EM leejrr@kaist.ac.kr
RI Lee, Jung-Ryul/B-3266-2015;
OI Flynn, Eric/0000-0003-0965-7052
FU Agency for Defense Development of the Korean government [UD130058JD];
National Research Foundation of Korea - Ministry of Science, ICT and
Future Planning [2011-0010489, 2011-0030065]
FX This research was supported by the research grant (UD130058JD) of the
Agency for Defense Development of the Korean government, Basic Science
Research Program (2011-0010489) and Leading Foreign Research Institute
Recruitment Program (2011-0030065), through the National Research
Foundation of Korea, funded by the Ministry of Science, ICT and Future
Planning.
NR 12
TC 5
Z9 5
U1 0
U2 5
PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
PI PARIS
PA 23 RUE LINOIS, 75724 PARIS, FRANCE
SN 1270-9638
EI 1626-3219
J9 AEROSP SCI TECHNOL
JI Aerosp. Sci. Technol.
PD SEP
PY 2015
VL 45
BP 180
EP 185
DI 10.1016/j.ast.2015.05.010
PG 6
WC Engineering, Aerospace
SC Engineering
GA CQ4TP
UT WOS:000360597800021
ER
PT J
AU Yao, JZ
Guo, HB
Chaiprasongsuk, M
Zhao, N
Chen, F
Yang, XH
Guo, H
AF Yao, Jianzhuang
Guo, Haobo
Chaiprasongsuk, Minta
Zhao, Nan
Chen, Feng
Yang, Xiaohan
Guo, Hong
TI Substrate-Assisted Catalysis in the Reaction Catalyzed by Salicylic Acid
Binding Protein 2 (SABP2), a Potential Mechanism of Substrate
Discrimination for Some Promiscuous Enzymes
SO BIOCHEMISTRY
LA English
DT Article
ID PLANT INNATE IMMUNITY; MOLECULAR-DYNAMICS SIMULATIONS; AB-INITIO QM/MM;
SERINE PROTEASES; OXYANION HOLE; STRUCTURAL BASIS; SCC-DFTB; ENERGY;
DENSITY; SPECIFICITY
AB Although one of an enzyme's hallmarks is the high specificity for their natural substrates, substrate promiscuity has been reported more frequently. It is known that promiscuous enzymes generally show different catalytic efficiencies to different substrates, but our understanding of the origin of such differences is still lacking. Here we report the results of quantum mechanical! molecular mechanical simulations and an experimental study of salicylic acid binding protein 2 (SABP2). SABP2 has promiscuous esterase activity toward a series of substrates but shows a high activity toward its natural substrate, methyl salicylate (MeSA). Our results demonstrate that this enzyme may use substrate-assisted catalysis involving the hydroxyl group from MeSA to enhance the activity and achieve substrate discrimination.
C1 [Yao, Jianzhuang; Guo, Haobo; Guo, Hong] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA.
[Yao, Jianzhuang; Guo, Haobo; Guo, Hong] TU ORNL, Ctr Biophys Mol, Oak Ridge, TN 37830 USA.
[Chaiprasongsuk, Minta; Zhao, Nan; Chen, Feng] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA.
[Yang, Xiaohan] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
RP Guo, H (reprint author), Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA.
EM hguol@utk.edu
RI Yang, Xiaohan/A-6975-2011;
OI Yang, Xiaohan/0000-0001-5207-4210; Guo, Hao-Bo/0000-0003-1321-1758
FU National Science Foundation [0817940, ACI-1053575]; Department of Energy
Office of Biological and Environmental Research-Genome through BioEnergy
Science Center (BESC); UT-Battelle, LLC, for U.S. Department of Energy
[DE-AC05-00OR22725]
FX This work was supported in part by Grant 0817940 from the National
Science Foundation (H.G.) and by the Department of Energy Office of
Biological and Environmental Research-Genome to Life Program through the
BioEnergy Science Center (BESC) (to F.C.). Oak Ridge National Laboratory
is managed by UT-Battelle, LLC, for the U.S. Department of Energy (under
Contract DE-AC05-00OR22725). This work used the Extreme Science and
Engineering Discovery Environment (XSEDE), which is supported by
National Science Foundation Grant ACI-1053575.
NR 64
TC 2
Z9 2
U1 6
U2 22
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0006-2960
J9 BIOCHEMISTRY-US
JI Biochemistry
PD SEP 1
PY 2015
VL 54
IS 34
BP 5366
EP 5375
DI 10.1021/acs.biochem.5b00638
PG 10
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CQ7HK
UT WOS:000360773400014
PM 26244568
ER
PT J
AU Dale, L
Karali, N
Millstein, D
Carnall, M
Vicua, S
Borchers, N
Bustos, E
O'Hagan, J
Purkey, D
Heaps, C
Sieber, J
Collins, W
Sohn, M
AF Dale, Larry L.
Karali, Nihan
Millstein, Dev
Carnall, Mike
Vicua, Sebastian
Borchers, Nicolas
Bustos, Eduardo
O'Hagan, Joe
Purkey, David
Heaps, Charles
Sieber, Jack
Collins, William D.
Sohn, Michael D.
TI An integrated assessment of water-energy and climate change in
sacramento, california: how strong is the nexus?
SO CLIMATIC CHANGE
LA English
DT Article
ID PRIORITY-DRIVEN; DEMAND-DRIVEN; MODEL; SYSTEMS; WEAP21
AB This paper is among the first to report on the full integration of basin-scale models that include projections of the demand and supply of water and energy for residential, commercial, industrial, and agricultural sector users. We link two widely used regional planning models that allow one to study the impact of rising climate variability on water and electricity use in Sacramento, California. Historic data combined with the current energy and water system configuration was used to assess the implications of changes in temperature and precipitation. Climate simulations suggest that electricity imports to the region would increase during hot dry spells, when regional power production is most constrained. In particular, regional imports of electricity would increase over 35 % in hot dry years, assuming a 4 A degrees C increase in average temperature and a 25 % decrease in average precipitation.
C1 [Dale, Larry L.; Karali, Nihan; Millstein, Dev; Carnall, Mike; Sohn, Michael D.] Lawrence Berkeley Natl Lab, Energy Technol Area, Berkeley, CA 94720 USA.
[Vicua, Sebastian; Borchers, Nicolas; Bustos, Eduardo] Pontificia Univ Catolica Chile, Centro Interdisciplinario Cambio Global, Santiago, Chile.
Stockholm Environm Inst, Cambridge, MA USA.
[Purkey, David; Heaps, Charles; Sieber, Jack] Stockholm Environm Inst, Davis, CA USA.
[Collins, William D.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Dale, L (reprint author), Lawrence Berkeley Natl Lab, Energy Technol Area, Berkeley, CA 94720 USA.
EM lldale@lbl.gov
RI Collins, William/J-3147-2014
OI Collins, William/0000-0002-4463-9848
FU California Energy Commission; Laboratory Directed Research and
Development (LDRD) - Berkeley Lab by Office of Science, of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was supported in parts by the California Energy Commission and
by Laboratory Directed Research and Development (LDRD) funding from
Berkeley Lab, provided by the Director, Office of Science, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. The authors
would further like to express their gratitude to Joe O'Hagan, Sacramento
Municipal Utility District, SEI, Water Forum, and the Regional Water
Authority for useful comments and discussions throughout the study.
NR 31
TC 5
Z9 5
U1 5
U2 36
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0165-0009
EI 1573-1480
J9 CLIMATIC CHANGE
JI Clim. Change
PD SEP
PY 2015
VL 132
IS 2
BP 223
EP 235
DI 10.1007/s10584-015-1370-x
PG 13
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA CQ3YW
UT WOS:000360541800005
ER
PT J
AU Meeks, KA
Clark, BR
Cano, JE
Apblett, CA
Pantoya, ML
AF Meeks, Kelsey A.
Clark, Billy R.
Cano, Jesus E.
Apblett, Christopher A.
Pantoya, Michelle L.
TI Effects of rheological properties on reactivity of energetic thin films
SO COMBUSTION AND FLAME
LA English
DT Article
DE Reactive coatings; Energetic materials; Additive manufacturing; Flame
speeds; Heat of combustion; Colloids
ID NANOSCALE AL/MOO3 THERMITE; REACTION PROPAGATION; COMBUSTION BEHAVIOR;
COMPOSITES; DENSITY; SOLIDS; AL/CUO
AB Magnesium (Mg) and manganese dioxide (MnO2) powders were mixed with polyvinylidene fluoride (PVDF) binder and n-methyl pyrrolidone (NMP) solvent and blade cast onto stainless steel foil. The rheological properties of these mixtures were investigated to quantify the mixing condition. Parameters including wet film thickness, equivalence ratio and solids loading were varied. Flame speed and calorific output were investigated for each of these parameters. Results show energy propagation rates increased as a function of dry film thickness, although calorific output remained relatively constant. Stoichiometrically fuel rich compositions were self-quenching, demonstrating the necessity of available oxygen for reaction propagation. A 0.45 solids-liquid mixing ratio resulted in up to an order of magnitude higher energy propagation rate for both open and confined configurations. Rheometry measurements and physical characterizations of the films reveal that the solids loadings resulting in the most stable suspensions also produced the highest energy propagation. Changing solids loading affects the density of the film, which in turn affects energy propagation. Capillary drying forces at high liquid loadings result in higher porosity leading to reduced deposition density and thickness. Very high solids loading results in films with dilatant properties and poor mixing. These results show solids loading affects mixing and energy propagation and could impact slurry cast energetic materials as in additive manufacturing processes. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Meeks, Kelsey A.; Clark, Billy R.; Cano, Jesus E.; Pantoya, Michelle L.] Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA.
[Meeks, Kelsey A.; Apblett, Christopher A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Pantoya, ML (reprint author), Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA.
EM michelle.pantoya@ttu.edu
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Army Research Office [W911NF-1110439]
FX Sandia National Laboratories (SNL) is a multi-program laboratory managed
and operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Corporation, for the U.S. Department of Energy's
National Nuclear Security Administration under contract
DE-AC04-94AL85000. K. Meeks is grateful for the assistance of Ms.
Christine White, Mr. Pat Ball and Mr. Alex Tappan of SNL. The authors K.
Meeks and M. Pantoya are thankful for support from the Army Research
Office Award No. W911NF-1110439 and encouragement from our program
manager, Dr. Ralph Anthenien.
NR 34
TC 1
Z9 1
U1 4
U2 22
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD SEP
PY 2015
VL 162
IS 9
BP 3288
EP 3293
DI 10.1016/j.combustflame.2015.05.018
PG 6
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CQ7JK
UT WOS:000360779100013
ER
PT J
AU Sankaran, R
Hawkes, ER
Yoo, CS
Chen, JH
AF Sankaran, Ramanan
Hawkes, Evatt R.
Yoo, Chun Sang
Chen, Jacqueline H.
TI Response of flame thickness and propagation speed under intense
turbulence in spatially developing lean premixed methane-air jet flames
SO COMBUSTION AND FLAME
LA English
DT Article
DE Turbulent combustion; Direct numerical simulation; Flame speed; Thin
reaction zones; Lean premixed; Natural gas
ID CHARACTERISTIC BOUNDARY-CONDITIONS; NUMERICAL-SIMULATION; BURNING
VELOCITY; FLOWS; CURVATURE; STRETCH; SCALE
AB Direct numerical simulations of three-dimensional spatially-developing turbulent Bunsen flames were performed at three different turbulence intensities. The simulations were performed using a reduced methane-air chemical mechanism which was specifically tailored for the lean premixed conditions simulated here. A planar-jet turbulent Bunsen flame configuration was used in which turbulent preheated methane-air mixture at 0.7 equivalence ratio issued through a central jet and was surrounded by a hot laminar coflow of burned products. The turbulence characteristics at the jet inflow were selected such that combustion occured in the thin reaction zones (TRZ) regime. At the lowest turbulence intensity, the conditions fall on the boundary between the TRZ regime and the corrugated flamelet regime, and progressively moved further into the TRZ regime by increasing the turbulent intensity. The data from the three simulations was analyzed to understand the effect of turbulent stirring on the flame structure and thickness. Statistical analysis of the data showed that the thermal preheat layer of the flame was thickened due to the action of turbulence, but the reaction zone was not significantly affected. A global and local analysis of the burning velocity of the flame was performed to compare the different flames. Detailed statistical averages of the flame speed were also obtained to study the spatial dependence of displacement speed and its correlation to strain rate and curvature. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Sankaran, Ramanan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Hawkes, Evatt R.] Univ New S Wales, Sydney, NSW 2052, Australia.
[Yoo, Chun Sang] Ulsan Natl Inst Sci & Technol, Ulsan 689798, South Korea.
[Chen, Jacqueline H.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Sankaran, R (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RI Yoo, Chun Sang/E-5900-2010; Sankaran, Ramanan/D-9254-2015; Hawkes,
Evatt/C-5307-2012
OI Yoo, Chun Sang/0000-0003-1094-4016; Sankaran,
Ramanan/0000-0002-5352-9915; Hawkes, Evatt/0000-0003-0539-7951
FU Office of Science of the U.S. Department of Energy [DE-AC05-000R22725];
Division of Chemical Sciences, Geosciences and Biosciences; Office of
Basic Energy Sciences (BES); U.S. Department of Energy (DOE); U.S. DOE;
BES; SciDAC Computational Chemistry program; U.S. DOE
[DE-AC04-94-AL85000]; National Research Foundation of Korea (NRF) -
Korea government (MSIP) [2015R1A2A2A01007378]
FX This research used resources of the Oak Ridge Leadership Computing
Facility at the Oak Ridge National Laboratory, which is supported by the
Office of Science of the U.S. Department of Energy under Contract No.
DE-AC05-000R22725. The work at SNL was supported by the Division of
Chemical Sciences, Geosciences and Biosciences, the Office of Basic
Energy Sciences (BES), the U.S. Department of Energy (DOE) and also by
the U.S. DOE, BES, SciDAC Computational Chemistry program. SNL is a
multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the U.S. DOE under contract DE-AC04-94-AL85000. The
work at UNIST was supported by the National Research Foundation of Korea
(NRF) grant funded by the Korea government (MSIP) (No.
2015R1A2A2A01007378).
NR 33
TC 13
Z9 13
U1 0
U2 14
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD SEP
PY 2015
VL 162
IS 9
BP 3294
EP 3306
DI 10.1016/j.combustflame.2015.05.019
PG 13
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CQ7JK
UT WOS:000360779100014
ER
PT J
AU Bhagatwala, A
Sankaran, R
Kokjohn, S
Chen, JH
AF Bhagatwala, Ankit
Sankaran, Ramanan
Kokjohn, Sage
Chen, Jacqueline H.
TI Numerical investigation of spontaneous flame propagation under RCCI
conditions
SO COMBUSTION AND FLAME
LA English
DT Article
DE RCCI; Thermal stratification; Reactivity stratification; Premixed flame;
Autoignition
ID IGNITION FRONT PROPAGATION; EXPLOSIVE MODE ANALYSIS; TEMPERATURE
INHOMOGENEITIES; CONSTANT VOLUME; HEPTANE FLAMES; AIR MIXTURE;
COMBUSTION; SIMULATION; AUTOIGNITION; DIAGNOSTICS
AB This paper presents results from one and two-dimensional direct numerical simulations under Reactivity Controlled Compression Ignition (RCCI) conditions of a primary reference fuel (PRF) mixture consisting of n-heptane and iso-octane. RCCI uses in-cylinder blending of two fuels with different autoignition characteristics to control combustion phasing and the rate of heat release. These simulations employ an improved model of compression heating through mass source/sink terms developed in a previous work by Bhagatwala et al. (2014), which incorporates feedback from the flow to follow a predetermined experimental pressure trace. Two-dimensional simulations explored parametric variations with respect to temperature stratification, pressure profiles and n-heptane concentration. Statistics derived from analysis of diffusion/reaction balances locally normal to the flame surface were used to elucidate combustion characteristics for the different cases. Both deflagration and spontaneous ignition fronts were observed to co-exist, however it was found that higher n-heptane concentration provided a greater degree of flame propagation, whereas lower n-heptane concentration (higher fraction of iso-octane) resulted in more spontaneous ignition fronts. A significant finding was that simulations initialized with a uniform initial temperature and a stratified n-heptane concentration field, resulted in a large fraction of combustion occurring through flame propagation. It was also found that the proportion of spontaneous ignition fronts increased at higher pressures due to shorter ignition delay when other factors were held constant. For the same pressure and fuel concentration, the contribution of flame propagation to the overall combustion was found to depend on the level of thermal stratification, with higher initial temperature gradients resulting in more deflagration and lower gradients generating more ignition fronts. Statistics of ignition delay are computed to assess the Zel'dovich (1980) theory for the mode of combustion propagation based on ignition delay gradients. (C) 2015 Published by Elsevier Inc. on behalf of The Combustion Institute.
C1 [Bhagatwala, Ankit; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[Sankaran, Ramanan] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA.
[Kokjohn, Sage] Univ Wisconsin, Dept Mech Engn, Madison, WI 53706 USA.
RP Bhagatwala, A (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
EM abhagat@sandia.gov
RI Sankaran, Ramanan/D-9254-2015
OI Sankaran, Ramanan/0000-0002-5352-9915
FU Combustion Energy Frontier Research Center (CEFRC), an Energy Frontier
Research Center - U.S. Department of Energy (DOE), Office of Science,
Office of Basic Energy Sciences (BES) [DE-SC0001198]; United States
Department of Energy [DE-AC04-94AL85000]; Department of Energy's
Advanced Leadership Computing Challenge (ALCC) at the National Energy
Research Scientific Computing Center (NERSC); INCITE award at the Oak
Ridge Leadership Computing Facility (OLCF) at the Oak Ridge National
Laboratories (ORNL); Office of Science of the U.S. Department of Energy
[DE-AC05-00OR22725]
FX This research is supported by the Combustion Energy Frontier Research
Center (CEFRC), an Energy Frontier Research Center funded by the U.S.
Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences (BES) under Award No. DE-SC0001198. Sandia is a multiprogram
laboratory operated by Sandia Corporation, a Lockheed Martin Company,
for the United States Department of Energy under contract
DE-AC04-94AL85000. Computer allocations were awarded by the Department
of Energy's Advanced Leadership Computing Challenge (ALCC) at the
National Energy Research Scientific Computing Center (NERSC) and the
INCITE award at the Oak Ridge Leadership Computing Facility (OLCF) at
the Oak Ridge National Laboratories (ORNL). This research used resources
of the Oak Ridge Leadership Computing Facility at ORNL, which is
supported by the Office of Science of the U.S. Department of Energy
under Contract No. DE-AC05-00OR22725.
NR 32
TC 7
Z9 7
U1 2
U2 13
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD SEP
PY 2015
VL 162
IS 9
BP 3412
EP 3426
DI 10.1016/j.combustflame.2015.06.005
PG 15
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CQ7JK
UT WOS:000360779100024
ER
PT J
AU Xing, LL
Li, S
Wang, ZH
Yang, B
Klippenstein, SJ
Zhang, F
AF Xing, Lili
Li, Shuang
Wang, Zhaohui
Yang, Bin
Klippenstein, Stephen J.
Zhang, Feng
TI Global uncertainty analysis for RRKM/master equation based kinetic
predictions: A case study of ethanol decomposition
SO COMBUSTION AND FLAME
LA English
DT Article
DE Transition state theory; RRKM/master equation method; Uncertainty
analysis; Sensitivity analysis; Collisional energy transfer model
ID DIMENSIONAL MODEL REPRESENTATIONS; PRODUCT BRANCHING RATIOS;
UNIMOLECULAR REACTIONS; THERMAL-DECOMPOSITION; BIMOLECULAR REACTIONS;
AROMATIC-HYDROCARBONS; CHEMICAL-KINETICS; RATE COEFFICIENTS;
AB-INITIO/RRKM; SHOCK-TUBE
AB A precise understanding of the accuracy of reaction rate constants, whether determined experimentally or theoretically, is of considerable importance to kinetic modelers. While the uncertainties of experimentally measured rate constants are commonly provided, the "error bars" of computed (temperature- and pressure-dependent) rate constants are rarely evaluated rigorously. In this work, global uncertainty and sensitivity analysis is applied to the propagation of the uncertainties in the input parameters (e.g. barrier heights, frequencies and collisional energy transfer parameters et al.) to those in the rate constants computed by the RRKM/master equation method for the decomposition of ethanol. This case study provides a systematic exploration of the effect of temperature and pressure on the parametric uncertainties in RRKM/master equation calculations for a prototypical single-well multiple-channel dissociation. In the high pressure limit, the uncertainties in the theoretical predictions are controlled by the uncertainties in the input parameters involved in the transition state theory calculations, with the most important ones being those describing the energetics of the decomposition. At lower pressures, where fall-off is important, the uncertainties in the collisional energy transfer parameters play a significant role, particularly for the higher energy of the two channels. Remarkably, the competition between dissociation and collisional excitation leads to uncertainties of more than a factor of 100 in the predictions for the higher energy channel. These large uncertainties are related to the need for large-scale single-collision-induced transitions in energy in order to produce the higher energy products in the low pressure limit. The present study illustrates the value of detailed qualitative and quantitative studies of the uncertainties in theoretical kinetics predictions. (C) 2015 The Combustion Institute.. Published by Elsevier Inc. All rights reserved.
C1 [Xing, Lili; Li, Shuang; Wang, Zhaohui; Zhang, Feng] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.
[Li, Shuang; Yang, Bin] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China.
[Li, Shuang; Yang, Bin] Tsinghua Univ, Dept Thermal Engn, Beijing 100084, Peoples R China.
[Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Zhang, F (reprint author), Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.
EM feng2011@ustc.edu.cn
RI Yang, Bin/A-7158-2008; Zhang, Feng/K-8505-2012; Xing, Lili/P-9953-2016;
OI Yang, Bin/0000-0001-7333-0017; Xing, Lili/0000-0003-2099-8472;
Klippenstein, Stephen/0000-0001-6297-9187
FU National Natural Science Foundation of China [51376170, U1332208]; U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC02-06CH11357]
FX This work is supported by National Natural Science Foundation of China,
in part under Grants 51376170 (F.Z., L.X., Z.W.) and U1332208 (B.Y.,
S.L.). This material is based in part on work at Argonne supported by
the U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
under Contract No. DE-AC02-06CH11357. We greatly appreciate the help
provided by Dr. Michael Pilling and Dr. Robin Shannon in using the
MESMER program and by Alison Tomlin in using the GUI-HDMR code. We also
appreciate Dr. Fei Qi for his kind help.
NR 59
TC 5
Z9 5
U1 8
U2 30
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD SEP
PY 2015
VL 162
IS 9
BP 3427
EP 3436
DI 10.1016/j.combustflame.2015.06.006
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CQ7JK
UT WOS:000360779100025
ER
PT J
AU Engstrom, E
Liu, HH
AF Engstrom, Emma
Liu, Hui-Hai
TI Modeling bacterial attenuation in on-site wastewater treatment systems
using the active region model and column-scale data
SO ENVIRONMENTAL EARTH SCIENCES
LA English
DT Article
DE Unsaturated zone; Bacterial transport; Preferential flow; Soil aquifer
treatment; Active region model
ID UNSATURATED POROUS-MEDIA; FRACTAL FLOW PATTERNS; ESCHERICHIA-COLI;
PREFERENTIAL FLOW; INTERMITTENT FILTRATION; STRUCTURED SOILS;
INFILTRATION PERCOLATION; COLLOID TRANSPORT; REMOVAL; RATES
AB Bacterial attenuation in porous media is often higher in columns than in the field. This study investigates whether this inconsistency could be attributed to finger flow, as assessed by the active region model (ARM). It develops a numerical model of flow and transport of the fecal indicator Escherichia coli in a wastewater infiltration basin from the literature. Modeling was based on the traditional, uniform flow approach (Richard's equation) as well as the ARM, representing finger flow. The uniform flow model resulted in flow rates that decreased rapidly with filter depth and an underestimation of the observed average relative effluent concentration by three orders of magnitude. With the ARM, the flow rates remained high throughout the filter, more consistently with observations, and the relative effluent concentration (0.018) was relatively accurate in reproducing the field result (0.025). Considering a range of removal rates derived from laboratory studies, the ARM consistently enabled more accurate and conservative assessments of the filter efficiency; thus, results indicated that the ARM provides a more relevant approach to bacterial transport in wastewater infiltration basins with sandy, unstructured soils.
C1 [Engstrom, Emma; Liu, Hui-Hai] Univ Calif Irvine, Lawrence Berkeley Natl Lab, Dept Hydrogeol, Irvine, CA USA.
RP Engstrom, E (reprint author), KTH Royal Inst Technol, Dept Sustainable Dev, Environm Sci & Engn SEED, S-10044 Stockholm, Sweden.
EM emmaeng@kth.se; hhliu@lbl.gov
NR 46
TC 0
Z9 0
U1 2
U2 7
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1866-6280
EI 1866-6299
J9 ENVIRON EARTH SCI
JI Environ. Earth Sci.
PD SEP
PY 2015
VL 74
IS 6
BP 4827
EP 4837
DI 10.1007/s12665-015-4483-7
PG 11
WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources
SC Environmental Sciences & Ecology; Geology; Water Resources
GA CQ3XM
UT WOS:000360537700018
ER
PT J
AU Zhu, L
Gong, HL
Dai, ZX
Xu, TB
Su, XS
AF Zhu, Lin
Gong, Huili
Dai, Zhenxue
Xu, Tingbao
Su, Xiaosi
TI An integrated assessment of the impact of precipitation and groundwater
on vegetation growth in arid and semiarid areas
SO ENVIRONMENTAL EARTH SCIENCES
LA English
DT Article
DE Spatial-temporal analysis; Groundwater; Vadose zone; Normalized
difference vegetation index; Numerical simulation; Plant water uptake;
Northern China
ID PRIMARY PRODUCTIVITY; RIPARIAN VEGETATION; COMPETITION MODEL; SATELLITE
DATA; GREAT-PLAINS; RIVER-BASIN; AVHRR-NDVI; WATER; RAINFALL; CHINA
AB Increased demand for water resources together with the influence of climate change has degraded water conditions which support vegetation in many parts of the world, especially in arid and semiarid areas. This study develops an integrated framework to assess the impact of precipitation and groundwater on vegetation growth in the Xiliao River Plain of northern China. The integrated framework systematically combines remote sensing technology with water flow modeling in the vadose zone and field data analysis. The vegetation growth is quantitatively evaluated with the remote sensing data by the normalized difference vegetation index (NDVI) and the simulated plant water uptake rates. The correlations among precipitation, groundwater depth and NDVI are investigated using Pearson correlation equations. The results provide insights for understanding interactions between precipitation and groundwater and their contributions to vegetation growth. Strong correlations between groundwater depth, plant water uptake and NDVI are found in parts of the study area during a ten-year drought period. The numerical modeling results indicate that there is an increased correlation between the groundwater depth and vegetation growth and that groundwater significantly contributes to sustaining effective soil moisture for vegetation growth during the long drought period. Therefore, a decreasing groundwater table might pose a great threat to the survival of vegetation during a long drought period.
C1 [Zhu, Lin; Gong, Huili] Capital Normal Univ, Coll Resources Environm & Tourism, Lab Cultivat Base Environm Proc & Digital Simulat, Beijing 100048, Peoples R China.
[Zhu, Lin; Dai, Zhenxue] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Xu, Tingbao] Australian Natl Univ, Fenner Sch Environm & Soc, Canberra, ACT 0200, Australia.
[Su, Xiaosi] Jilin Univ, Coll Environm & Resources, Changchun 130021, Peoples R China.
RP Su, XS (reprint author), Jilin Univ, Coll Environm & Resources, Changchun 130021, Peoples R China.
EM daiz@lanl.gov; suxiaosi@163.com
OI Dai, Zhenxue/0000-0002-0805-7621
FU National Natural Science [41201420, 41130744]; Beijing Nova Program
[Z111106054511097]; Beijing Young Talent Plan
FX This work was supported by National Natural Science (Nos. 41201420,
41130744), Beijing Nova Program (No. Z111106054511097) and Beijing Young
Talent Plan. The authors are thankful to Xinyin Cui of the Songliao
Water Resource Committee for providing the field data.
NR 50
TC 6
Z9 6
U1 2
U2 43
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1866-6280
EI 1866-6299
J9 ENVIRON EARTH SCI
JI Environ. Earth Sci.
PD SEP
PY 2015
VL 74
IS 6
BP 5009
EP 5021
DI 10.1007/s12665-015-4513-5
PG 13
WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources
SC Environmental Sciences & Ecology; Geology; Water Resources
GA CQ3XM
UT WOS:000360537700032
ER
PT J
AU Yang, YR
Liang, Y
Ghosh, A
Song, YY
Chen, H
Tang, M
AF Yang, Yurong
Liang, Yan
Ghosh, Amit
Song, Yingying
Chen, Hui
Tang, Ming
TI Assessment of arbuscular mycorrhizal fungi status and heavy metal
accumulation characteristics of tree species in a lead-zinc mine area:
potential applications for phytoremediation
SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
LA English
DT Article
DE Phytoremediation; Arbuscular mycorrhizal fungi; Heavy metal
accumulation; Tree species
ID CONTAMINATED SOILS; CALCAREOUS SOIL; INDUSTRIAL-AREA; ORGANIC-MATTER;
POLLUTED SOILS; SOUTH CHINA; PLANTS; PB; CD; CU
AB To select suitable tree species associated with arbuscular mycorrhizal fungi (AMF) for phytoremediation of heavy metal (HM) contaminated area, we measured the AMF status and heavy metal accumulation in plant tissues in a lead-zinc mine area, Northwest China. All 15 tree species were colonized by AM fungi in our investigation. The mycorrhizal frequency (F%), mycorrhizal colonization intensity (M%) and spore density (SP) reduced concomitantly with increasing Pb and Zn levels; however, positive correlations were found between arbuscule density (A%) and soil total/DTPA-extractable Pb concentrations. The average concentrations of Pb, Zn, Cu and Cd in plant samples were 168.21, 96.61, 41.06, and 0.79 mg/kg, respectively. Populus purdomii Rehd. accumulated the highest concentrations of Zn (432.08 mg/kg) and Cu (140.85 mg/kg) in its leaves. Considerable amount of Pb (712.37 mg/kg) and Cd (3.86 mg/kg) were concentrated in the roots of Robinia pseudoacacia Linn. and Populus simonii Carr., respectively. Plants developed different strategies to survive in HM stress environment: translocating more essential metals (Zn and Cu) into the aerial parts, while retaining more toxic heavy metals (Pb and Cd) in the roots to protect the above-ground parts from damage. According to the translocation factor (TF), bioconcentration factor (BCF), growth rate and biomass production, five tree species (Ailanthus altissima (Mill.) Swingle, Cotinus coggygria Scop., P. simonii, P. purdomii, and R. pseudoacacia) were considered to be the most suitable candidates for phytoextraction and/or phytostabilization purposes. Redundancy analysis (RDA) showed that the efficiency of phytoremediation was enhanced by AM symbioses, and soil pH, Pb, Zn, and Cd levels were the main factors influencing the HM accumulation characteristics of plants.
C1 [Yang, Yurong] Northwest A&F Univ, State Key Lab Soil Eros & Dryland Farming Loess P, Xianyang 712100, Shaanxi, Peoples R China.
[Yang, Yurong; Song, Yingying; Chen, Hui; Tang, Ming] Northwest A&F Univ, Coll Forestry, Xianyang 712100, Shaanxi, Peoples R China.
[Liang, Yan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Berkeley, CA 94720 USA.
[Ghosh, Amit] Indian Inst Technol, PK Sinha Ctr Bioenergy, Sch Energy Sci & Engn, Kharagpur 721302, W Bengal, India.
RP Tang, M (reprint author), Northwest A&F Univ, Coll Forestry, Xianyang 712100, Shaanxi, Peoples R China.
EM tangm@nwsuaf.edu.cn
RI Liang, Yan/K-8199-2016
OI Liang, Yan/0000-0002-2144-1388
FU National Natural Science Foundation of China [31270639, 31170607,
31170567]; Program for Changjiang Scholars and Innovative Research Team
in University of China [IRT1035]
FX This research was financially supported by the National Natural Science
Foundation of China (31270639, 31170607, and 31170567), Program for
Changjiang Scholars and Innovative Research Team in University of China
(IRT1035). We thank Dr. Jingxia Li (College of Forestry, Northwest A&F
University, Yangling, Shaanxi 712100, China) for tree species
identification.
NR 93
TC 6
Z9 7
U1 9
U2 68
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 0944-1344
EI 1614-7499
J9 ENVIRON SCI POLLUT R
JI Environ. Sci. Pollut. Res.
PD SEP
PY 2015
VL 22
IS 17
BP 13179
EP 13193
DI 10.1007/s11356-015-4521-8
PG 15
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CQ0TZ
UT WOS:000360311500039
PM 25929455
ER
PT J
AU Gittelman, RM
Hun, E
Ay, F
Madeoy, J
Pennacchio, L
Noble, WS
Hawkins, RD
Akey, JM
AF Gittelman, Rachel M.
Hun, Enna
Ay, Ferhat
Madeoy, Jennifer
Pennacchio, Len
Noble, William S.
Hawkins, R. David
Akey, Joshua M.
TI Comprehensive identification and analysis of human accelerated
regulatory DNA
SO GENOME RESEARCH
LA English
DT Article
ID TRANSCRIPTION FACTOR-BINDING; BIASED GENE CONVERSION; HUMAN GENOME; JUNK
DNA; EVOLUTIONARY CHANGES; MOLECULAR EVOLUTION; POSITIVE SELECTION;
NONCODING ELEMENTS; MAMMALIAN GENOMES; PROMOTER REGIONS
AB It has long been hypothesized that changes in gene regulation have played an important role in human evolution, but regulatory DNA has been much more difficult to study compared with protein-coding regions. Recent large-scale studies have created genome-scale catalogs of DNase I hypersensitive sites (DHSs), which demark potentially functional regulatory DNA. To better define regulatory DNA that has been subject to human-specific adaptive evolution, we performed comprehensive evolutionary and population genetics analyses on over 18 million DHSs discovered in 130 cell types. We identified 524 DHSs that are conserved in nonhuman primates but accelerated in the human lineage (haDHS), and estimate that 70% of substitutions in haDHSs are attributable to positive selection. Through extensive computational and experimental analyses, we demonstrate that haDHSs are often active in brain or neuronal cell types; play an important role in regulating the expression of developmentally important genes, including many transcription factors such as SOX6, POU3F2, and HOX genes; and identify striking examples of adaptive regulatory evolution that may have contributed to human-specific phenotypes. More generally, our results reveal new insights into conserved and adaptive regulatory DNA in humans and refine the set of genomic substrates that distinguish humans from their closest living primate relatives.
C1 [Gittelman, Rachel M.; Ay, Ferhat; Madeoy, Jennifer; Noble, William S.; Hawkins, R. David; Akey, Joshua M.] Univ Washington, Dept Genome Sci, Seattle, WA 98195 USA.
[Hun, Enna; Hawkins, R. David] Univ Washington, Div Med Genet, Seattle, WA 98195 USA.
[Pennacchio, Len] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94701 USA.
RP Akey, JM (reprint author), Univ Washington, Dept Genome Sci, Seattle, WA 98195 USA.
EM akeyj@uw.edu
FU National Institute of General Medical Sciences (NIGMS) [GM110068];
National Science Foundation (NSF); National Human Genome Research
Institute (NHGRI) [R01HG003988, U54HG006997]; Department of Energy,
University of California [DE-AC02-05CH11231]; National Institutes of
Health (NIH) [U41HG007000]
FX This work was supported by the National Institute of General Medical
Sciences (NIGMS) grant GM110068 to J.M.A. R.M.G. was supported by a
National Science Foundation (NSF) graduate research fellowship. L.P. was
supported by National Human Genome Research Institute (NHGRI) grants
R01HG003988, and U54HG006997, and research was conducted at the E.O.
Lawrence Berkeley National Laboratory and performed under Department of
Energy Contract DE-AC02-05CH11231, University of California. W.S.N. was
supported by National Institutes of Health (NIH) grant U41HG007000.
NR 79
TC 10
Z9 10
U1 5
U2 18
PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT
PI COLD SPRING HARBOR
PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA
SN 1088-9051
EI 1549-5469
J9 GENOME RES
JI Genome Res.
PD SEP
PY 2015
VL 25
IS 9
BP 1245
EP 1255
DI 10.1101/gr.192591.115
PG 11
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
GA CQ6NK
UT WOS:000360721000001
PM 26104583
ER
PT J
AU Kim, K
Lees, JM
AF Kim, Keehoon
Lees, Jonathan M.
TI Imaging volcanic infrasound sources using time reversal mirror algorithm
SO GEOPHYSICAL JOURNAL INTERNATIONAL
LA English
DT Article
DE Acoustic properties; Explosive volcanism; Volcano monitoring
ID ULTRASONIC FIELDS; TOPOGRAPHY; LOCATION; WAVES
AB We investigate the capability of Time Reversal Mirror (TRM) algorithm to image local acoustic sources (< 3.5 km) associated with complex, sustained volcanic eruptions. Accurate source localization for volcano infrasound (low-frequency acoustic waves) is often challenging due to pronounced volcanic topography and emergent arrivals of infrasound signals. While the accuracy of the conventional approaches (e.g. triangulation and semblance method) can be severely compromised by the complex volcanic settings, a TRM-based method may have the potential to properly image acoustic sources by the use of full waveform information and numerical modelling of the time-reversed wavefield. We apply the TRM algorithm to a pyroclastic-laden eruption (sustained for similar to 60 s) at Santiaguito Volcano, Guatemala, and show that an ordinary TRM operation can undergo significant reduction of its focusing power due to strong topographic propagation effects (e.g. reflection and diffraction). We propose a weighted imaging condition to compensate for complicated transmission loss of the time-reversed wavefield and demonstrate that the presented condition significantly improves the focusing quality of TRM in the presence of complex topography. The consequent TRM source images exhibit remarkable agreement with the visual observation of the eruption implying that the TRM method with a proper imaging condition can be used to localize and track acoustic sources associated with complex volcanic eruptions.
C1 [Kim, Keehoon; Lees, Jonathan M.] Univ N Carolina, Dept Geol Sci, Chapel Hill, NC USA.
RP Kim, K (reprint author), Lawrence Livermore Natl Lab, Atmosphere Earth & Energy Div, Livermore, CA 94550 USA.
EM kim84@llnl.gov
RI Kim, Keehoon/J-8279-2015
OI Kim, Keehoon/0000-0002-8635-0428
FU National Science Foundation [OIA1125185]
FX The authors thank INSIVUMEH (Guatemala), the Policia Nacional Civil de
Guatemala and the Instituto Guatemalteco de Turismo for their support
with field experiment. They are grateful to Carene Larmat and an
anonymous reviewer for their insightful comments. This research was
supported by the National Science Foundation Grant OIA1125185.
NR 35
TC 1
Z9 1
U1 1
U2 11
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0956-540X
EI 1365-246X
J9 GEOPHYS J INT
JI Geophys. J. Int.
PD SEP
PY 2015
VL 202
IS 3
BP 1663
EP 1676
DI 10.1093/gji/ggv237
PG 14
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CQ5EG
UT WOS:000360625500016
ER
PT J
AU Xin, SJ
Guo, QL
Sun, HB
Zhang, BM
Wang, JH
Chen, C
AF Xin, Shujun
Guo, Qinglai
Sun, Hongbin
Zhang, Boming
Wang, Jianhui
Chen, Chen
TI Cyber-Physical Modeling and Cyber-Contingency Assessment of Hierarchical
Control Systems
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Article
DE Coordinated secondary-voltage control (CSVC); cyber-contingency
assessment (cyber-CA); cyber-physical system (CPS); hierarchical
control; power system
ID ENERGY-SYSTEMS; SECURITY; POWER; INFRASTRUCTURES; CHALLENGES
AB Online closed-loop hierarchical control systems (HCSs) are widely used in power-system operation. Like typical cyber-physical systems, the contingencies on the cyber side of an HCS may lead to inappropriate control commands, which will influence the physical power system. To evaluate the degree to which these inappropriate control commands influence the power system, we propose a cyber-physical equivalent model for HCSs. In this model, the HCS cyber network is abstracted to a directed graph consisting of data nodes and directed branches, and connectivity is described by using a node-branch incidence matrix. Using this strategy, we can describe the general information flow in an HCS using mathematical equations on the basis of which quantitative evaluation can be carried out. Furthermore, by using existing operation records, several kinds of typical cyber-contingencies are also modeled on the basis of which cyber-contingency assessment (cyber-CA) can be implemented by using a model-based approach. Considering the computational efficiency, such an approach keeps only key characteristics of the information flow rather than all features of the cyber network. In the case study, a coordinated secondary-voltage control system is studied as an example. The physical impacts of various cyber-contingencies on different data transmission and processing modules are compared. The results show that the model-based method provides improved efficiency compared with conventional simulation-based methods while maintaining accuracy.
C1 [Xin, Shujun; Guo, Qinglai; Sun, Hongbin; Zhang, Boming] Tsinghua Univ, Dept Elect Engn, State Key Lab Power Syst, Beijing 100084, Peoples R China.
[Wang, Jianhui; Chen, Chen] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60049 USA.
RP Xin, SJ (reprint author), Tsinghua Univ, Dept Elect Engn, State Key Lab Power Syst, Beijing 100084, Peoples R China.
EM guoqinglai@tsinghua.edu.cn
FU National Key Basic Research Program of China (973 Program)
[2013CB228206]; National Science Fund for Distinguished Young Scholars
[51025725]; National Science Foundation of China [51321005]
FX This work was supported in part by the National Key Basic Research
Program of China (973 Program) under Grant 2013CB228206, in part by the
National Science Fund for Distinguished Young Scholars under Grant
51025725, and in part by the National Science Foundation of China under
Grant 51321005.
NR 29
TC 4
Z9 11
U1 8
U2 25
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3053
EI 1949-3061
J9 IEEE T SMART GRID
JI IEEE Trans. Smart Grid
PD SEP
PY 2015
VL 6
IS 5
BP 2375
EP 2385
DI 10.1109/TSG.2014.2387381
PG 11
WC Engineering, Electrical & Electronic
SC Engineering
GA CQ2MW
UT WOS:000360435900020
ER
PT J
AU Kang, CQ
Zhou, TR
Chen, QX
Wang, JH
Sun, YL
Xia, Q
Yan, HG
AF Kang, Chongqing
Zhou, Tianrui
Chen, Qixin
Wang, Jianhui
Sun, Yanlong
Xia, Qing
Yan, Huaguang
TI Carbon Emission Flow From Generation to Demand: A Network-Based Model
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Article
DE Carbon emission flow (CEF); demand response; low carbon electricity;
power networks; smart grid
ID POWER-SYSTEMS; ENERGY; LOADS; REAL
AB Clarification of the responsibility for carbon emission is fundamental in a carbon-constrained world. Existing statistical methods for carbon emission estimation usually attribute the emission responsibility to the generation side. However, a growing number of analysis across different sectors has pointed out that "consumers" rather than "producers" should be responsible for the CO2 emitted during the production. In power system, it is consumers that create the need for the combustion of fossil fuels and cause substantial carbon emission. In order to account carbon emission from the consumption-based perspective, carbon emission generated by various generators can be seen as a virtual attachment to the power flow and accumulated at the consumer's side. A novel analytical model for carbon emission flow (CEF) is proposed in this paper to quantify the carbon emission accompanying the power delivery process. The newly developed model of CEF can take into account the operational characteristics and the network features of power system, and elaborately characterize the relationship between power delivery and CEF. Some basic concepts of CEF in power networks are defined, and the fundamental characteristics and distribution principles of CEF are analyzed. Furthermore, a novel calculation model for CEF in power networks is proposed. A case study is conducted based on the IEEE 118 bus system to illustrate the calculation process and result of CEF in power system.
C1 [Kang, Chongqing; Chen, Qixin; Sun, Yanlong; Xia, Qing] Tsinghua Univ, Dept Elect Engn, State Key Lab Power Syst, Beijing 100084, Peoples R China.
[Zhou, Tianrui] Tsinghua Univ, Elect Planning & Design Inst, Beijing 100084, Peoples R China.
[Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA.
[Yan, Huaguang] China Elect Power Res Inst, Beijing 100192, Peoples R China.
RP Kang, CQ (reprint author), Tsinghua Univ, Dept Elect Engn, State Key Lab Power Syst, Beijing 100084, Peoples R China.
EM cqkang@tsinghua.edu.cn; qxchen@mail.tsinghua.edu.cn
RI Xia, Qing/A-6497-2016; Kang, Chongqing/A-6601-2016; Chen,
Qixin/A-7831-2016
OI Xia, Qing/0000-0001-5238-9300; Kang, Chongqing/0000-0003-2296-8250;
Chen, Qixin/0000-0002-3733-8641
FU National Natural Science Foundation of China [51325702, 51107059];
Scientific and Technical Project of State Grid
FX This work was supported in part by the National Natural Science
Foundation of China under Grant 51325702 and Grant 51107059, and in part
by the Scientific and Technical Project of State Grid.
NR 21
TC 1
Z9 2
U1 1
U2 5
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3053
EI 1949-3061
J9 IEEE T SMART GRID
JI IEEE Trans. Smart Grid
PD SEP
PY 2015
VL 6
IS 5
BP 2386
EP 2394
DI 10.1109/TSG.2015.2388695
PG 9
WC Engineering, Electrical & Electronic
SC Engineering
GA CQ2MW
UT WOS:000360435900021
ER
PT J
AU Kara, EC
Berges, M
Hug, G
AF Kara, Emre C.
Berges, Mario
Hug, Gabriela
TI Impact of Disturbances on Modeling of Thermostatically Controlled Loads
for Demand Response
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Article
DE Energy management; energy storage; load modeling
ID SYSTEMS
AB Aggregations of thermostatically controlled loads (TCLs) have been shown to hold promise as demand response resources. However, the evaluation of these promises has relied on simulations of individual TCLs that make important assumptions about the thermal dynamics and properties of the loads, the end-user's interactions with individual TCLs and the disturbances to their operation. In this paper, we first propose a data-driven modeling strategy to simulate individual TCLs-specifically, household refrigeration units (HRUs)-that allows us to relax some of these assumptions and evaluate the validity of the approaches proposed to date. Specifically, we fit probability distributions to a year-long dataset of power measurements for HRUs and use these models to create more realistic simulations. We then derive the aggregate system equations using a bottomup approach that results in a more flexible [linear time invariant (LTI)] system. Finally, we quantify the plant-model mismatch and evaluate the proposed strategy with the more realistic simulation. Our results show that the effects of invalid assumptions about the disturbances and time-invariant properties of individual HRUs may be mitigated by a faster sampling of the state variables and that, when this is not possible, the proposed LTI system reduces the plant-model mismatch.
C1 [Kara, Emre C.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA.
[Berges, Mario] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA.
[Hug, Gabriela] Carnegie Mellon Univ, Dept Elect & Comp Engn, Pittsburgh, PA 15213 USA.
RP Kara, EC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Grid Integrat Grp, Berkeley, CA 94720 USA.
EM eckara@lbl.gov
FU HP Laboratories Innovation Research Program [CW267299]; Pennsylvania
Infrastructure Technology Alliance
FX This work was supported in part by the HP Laboratories Innovation
Research Program under Grant CW267299, and in part by the Pennsylvania
Infrastructure Technology Alliance.
NR 24
TC 1
Z9 2
U1 1
U2 3
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3053
EI 1949-3061
J9 IEEE T SMART GRID
JI IEEE Trans. Smart Grid
PD SEP
PY 2015
VL 6
IS 5
BP 2560
EP 2568
DI 10.1109/TSG.2015.2406316
PG 9
WC Engineering, Electrical & Electronic
SC Engineering
GA CQ2MW
UT WOS:000360435900040
ER
PT J
AU Dempsey, D
Kelkar, S
Davatzes, N
Hickman, S
Moos, D
AF Dempsey, David
Kelkar, Sharad
Davatzes, Nicholas
Hickman, Stephen
Moos, Daniel
TI Numerical modeling of injection, stress and permeability enhancement
during shear stimulation at the Desert Peak Enhanced Geothermal System
SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES
LA English
DT Article
DE Desert Peak; Shear stimulation; Permeability enhancement; Thermal
stress; Modeling
ID FRACTURED POROUS ROCK; FLUID-FLOW; RESERVOIRS; DEFORMATION
AB Creation of an Enhanced Geothermal System relies on stimulation of fracture permeability through self-propping shear failure that creates a complex fracture network with high surface area for efficient heat transfer. In 2010, shear stimulation was carried out in well 27-15 at Desert Peak geothermal field, Nevada, by injecting cold water at pressure less than the minimum principal stress. An order-of-magnitude improvement in well injectivity was recorded. Here, we describe a numerical model that accounts for injection-induced stress changes and permeability enhancement during this stimulation. We use the coupled thermo-hydrological-mechanical simulator FEHM to (i) construct a wellbore model for non-steady bottom-hole temperature and pressure conditions during the injection, and (ii) apply these pressures and temperatures as a source term in a numerical model of the stimulation. A Mohr-Coulomb failure criterion and empirical fracture permeability is developed to describe permeability evolution of the fractured rock. The numerical model is calibrated using laboratory measurements of material properties on representative core samples and wellhead records of injection pressure and mass flow during the shear stimulation. The model captures both the absence of stimulation at low wellhead pressure (WHP <= 1.7 and <=-2.4 MPa) as well as the timing and magnitude of injectivity rise at medium WHP (3.1 MPa). Results indicate that thermoelastic effects near the wellbore and the associated non-local stresses further from the well combine to propagate a failure front away from the injection well. Elevated WHP promotes failure, increases the injection rate, and cools the wellbore; however, as the overpressure drops off with distance, thermal and non-local stresses play an ongoing role in promoting shear failure at increasing distance from the well. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Dempsey, David; Kelkar, Sharad] Los Alamos Natl Lab, Los Alamos, NM USA.
[Davatzes, Nicholas] Temple Univ, Philadelphia, PA 19122 USA.
[Hickman, Stephen] USGS, Menlo Pk, CA USA.
[Moos, Daniel] Baker Hughes Inc, Palo Alto, CA USA.
RP Dempsey, D (reprint author), Stanford Univ, Dept Geophys, Stanford, CA 94305 USA.
EM dempsey7@stanford.edu
RI Dempsey, David/B-9115-2015
OI Dempsey, David/0000-0003-2135-5129
FU US DOE Office of Geothermal Technologies [GT-1000036-12_Revision 1]; US
DOE through its CO sequestration RD program
FX The authors thank Ezra Zemach for valuable discussions pertaining to
Desert Peak field operations. Funding for this work was provided by US
DOE Office of Geothermal Technologies under Work Authorization no.
GT-1000036-12_Revision 1, The coupled flow and stress numerical
simulation capabilities in FEHM applied for this work were developed at
LANL under the Zero Emission Research & Technology (ZERT-II) project
funded by US DOE through its CO sequestration R&D program. The authors
thank Jonny Rutqvist and Robert Zimmerman for helpful comments that
improved the manuscript.
NR 50
TC 8
Z9 8
U1 6
U2 22
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1365-1609
EI 1873-4545
J9 INT J ROCK MECH MIN
JI Int. J. Rock Mech. Min. Sci.
PD SEP
PY 2015
VL 78
BP 190
EP 206
DI 10.1016/j.ijrmms.2015.06.003
PG 17
WC Engineering, Geological; Mining & Mineral Processing
SC Engineering; Mining & Mineral Processing
GA CQ5IT
UT WOS:000360637800020
ER
PT J
AU Zheng, JT
Zheng, LG
Liu, HH
Ju, Y
AF Zheng, Jiangtao
Zheng, Liange
Liu, Hui-Hai
Ju, Yang
TI Relationships between permeability, porosity and effective stress for
low-permeability sedimentary rock
SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES
LA English
DT Article
DE Stress-dependent relationship; Low-permeability sedimentary rock;
Two-part Hooke's model; Cubic law
ID FRACTURED POROUS ROCK; CONFINING PRESSURE; GAS-PERMEABILITY; FLUID-FLOW;
HYDRAULIC CONDUCTIVITY; TRANSPORT-PROPERTIES; WATER SATURATION; CUBIC
LAW; SANDSTONE; COMPACTION
AB As the effective stress increases, low-permeability rock undergoes fairly small porosity changes, but significant decrease in the permeability. Empirical relationships based on laboratory-measured data, typically exponential or power laws, have been proposed to describe the stress-permeability, stress-porosity, and permeability-porosity relationships. However, these approximations yield poor fitting in low effective stress ranges, or unreasonable prediction for certain effective stresses. In this study, we develop a series of theoretical models for the essential relationships among the porosity, permeability and the effective stresses for low-permeability sedimentary rock, based on the concept of Two-Part Hooke's Model (TPHM). The TPHM conceptualizes an intact rock into a soft part and a hard part, which comply with the natural-strain-based and engineering-strain-based Hooke's law, respectively. The derived relationships are validated by the experimental data from the literature. The comparisons show that the theoretical predictions agree well with the experimental results. The soft-part, comprising of only a small portion of the rock body, is responsible for the significant permeability reduction in low stress levels. The high stress-sensitivity of permeability is mainly attributed to the micro-crack (soft-part) closure in the intact rock. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zheng, Jiangtao; Ju, Yang] China Univ Min & Technol, State Key Lab Coal Resources & Safe Min, Beijing 100033, Peoples R China.
[Zheng, Jiangtao; Zheng, Liange; Ju, Yang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Liu, Hui-Hai] Aramco Res Ctr, Houston, TX 77084 USA.
[Ju, Yang] China Univ Min & Technol, State Key Lab Geomech & Deep Underground Engn, Xuzhou 221006, Peoples R China.
RP Ju, Y (reprint author), China Univ Min & Technol, State Key Lab Coal Resources & Safe Min, Beijing 100033, Peoples R China.
EM juy@cumtb.edu.cn
RI zheng, liange/B-9748-2011
OI zheng, liange/0000-0002-9376-2535
FU National Natural Science Fund for Distinguished Young Scholars of China
[51125017]; National Natural Science Foundation of China [51374213];
National Basic Research Program of China [2010CB226804, 2011CB201201];
Office of Nuclear Energy, of the U.S. Department of Energy
[DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory, USA
FX We thank Jia-Jyun Dong from National Central University, Taiwan, for
kindly providing their data sets used in Section 5 of this paper. We are
also grateful to the financial support of the National Natural Science
Fund for Distinguished Young Scholars of China (Grant 51125017), the
National Natural Science Foundation of China (Grant 51374213), and the
National Basic Research Program of China (Grants 2010CB226804 and
2011CB201201) for the involvement of Yang Ju and Jiangtao Zheng in this
work. Funding for the involvement of Liange Zheng in this work was
provided by the Used Fuel Disposition Campaign, Office of Nuclear
Energy, of the U.S. Department of Energy under Contract Number
DE-AC02-05CH11231 with Lawrence Berkeley National Laboratory, USA,
Hui-Hai Liu also would like to thank the management of Aramco Research
Center (Houston) for its approval to publish this work.
NR 70
TC 4
Z9 5
U1 6
U2 42
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1365-1609
EI 1873-4545
J9 INT J ROCK MECH MIN
JI Int. J. Rock Mech. Min. Sci.
PD SEP
PY 2015
VL 78
BP 304
EP 318
DI 10.1016/j.ijrmms.2015.04.025
PG 15
WC Engineering, Geological; Mining & Mineral Processing
SC Engineering; Mining & Mineral Processing
GA CQ5IT
UT WOS:000360637800030
ER
PT J
AU Urquhart, A
Bauer, S
AF Urquhart, Alexander
Bauer, Stephen
TI Experimental determination of single-crystal halite thermal
conductivity, diffusivity and specific heat from-75 degrees C to 300
degrees C
SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES
LA English
DT Article
ID TEMPERATURE; DEPENDENCE; ROCKS; AIR
C1 [Urquhart, Alexander; Bauer, Stephen] Sandia Natl Labs, Geomech Dept, Albuquerque, NM 87185 USA.
RP Bauer, S (reprint author), Sandia Natl Labs, Geomech Dept, POB 5800, Albuquerque, NM 87185 USA.
EM sjbauer@sandia.gov
OI Urquhart, Alexander/0000-0002-3953-0880
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was completed in the Geomechanics Laboratory at Sandia
National Laboratories, Sandia National Laboratories is a multi-program
laboratory managed and operated by Sandia Corporation, a wholly owned
subsidiary of Lockheed Martin Corporation, for the U.S. Department of
Energy's National Nuclear Security Administration under Contract
DE-AC04-94AL85000.
NR 9
TC 4
Z9 4
U1 0
U2 1
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1365-1609
EI 1873-4545
J9 INT J ROCK MECH MIN
JI Int. J. Rock Mech. Min. Sci.
PD SEP
PY 2015
VL 78
BP 350
EP 352
DI 10.1016/j.ijrmms.2015.04.007
PG 3
WC Engineering, Geological; Mining & Mineral Processing
SC Engineering; Mining & Mineral Processing
GA CQ5IT
UT WOS:000360637800034
ER
PT J
AU Lo, J
Zheng, TY
Olson, DG
Ruppertsberger, N
Tripathi, SA
Guss, AM
Lynd, LR
AF Lo, Jonathan
Zheng, Tianyong
Olson, Daniel G.
Ruppertsberger, Natalie
Tripathi, Shital A.
Guss, Adam M.
Lynd, Lee R.
TI Deletion of nfnAB in Thermoanaerobacterium saccharolyticum and Its
Effect on Metabolism
SO JOURNAL OF BACTERIOLOGY
LA English
DT Article
ID CLOSTRIDIUM-THERMOCELLUM; ETHANOL-PRODUCTION; THERMOPHILIC BACTERIA;
ALCOHOL DEHYDROGENASES; BIFUNCTIONAL ALCOHOL; HYDROGENASE; YIELDS;
THERMOHYDROSULFURICUM; PURIFICATION; TOLERANCE
AB NfnAB catalyzes the reversible transfer of electrons from reduced ferredoxin and NADH to 2 NADP(+). The NfnAB complex has been hypothesized to be the main enzyme for ferredoxin oxidization in strains of Thermoanaerobacterium saccharolyticum engineered for increased ethanol production. NfnAB complex activity was detectable in crude cell extracts of T. saccharolyticum. Activity was also detected using activity staining of native PAGE gels. The nfnAB gene was deleted in different strains of T. saccharolyticum to determine its effect on end product formation. In wild-type T. saccharolyticum, deletion of nfnAB resulted in a 46% increase in H-2 formation but otherwise little change in other fermentation products. In two engineered strains with 80% theoretical ethanol yield, loss of nfnAB caused two different responses: in one strain, ethanol yield decreased to about 30% of the theoretical value, while another strain had no change in ethanol yield. Biochemical analysis of cell extracts showed that the Delta nfnAB strain with decreased ethanol yield had NADPH-linked alcohol dehydrogenase (ADH) activity, while the Delta nfnAB strain with unchanged ethanol yield had NADH-linked ADH activity. Deletion of nfnAB caused loss of NADPH-linked ferredoxin oxidoreductase activity in all cell extracts. Significant NADH-linked ferredoxin oxidoreductase activity was seen in all cell extracts, including those that had lost nfnAB. This suggests that there is an unidentified NADH: ferredoxin oxidoreductase (distinct from nfnAB) playing a role in ethanol formation. The NfnAB complex plays a key role in generating NADPH in a strain that had become reliant on NADPH-ADH activity.
IMPORTANCE
Thermophilic anaerobes that can convert biomass-derived sugars into ethanol have been investigated as candidates for biofuel formation. Many anaerobes have been genetically engineered to increase biofuel formation; however, key aspects of metabolism remain unknown and poorly understood. One example is the mechanism for ferredoxin oxidation and transfer of electrons to NAD(P)(+). The electron-bifurcating enzyme complex NfnAB is known to catalyze the reversible transfer of electrons from reduced ferredoxin and NADH to 2 NADP(+) and is thought to play key roles linking NAD(P)(H) metabolism with ferredoxin metabolism. We report the first deletion of nfnAB and demonstrate a role for NfnAB in metabolism and ethanol formation in Thermoanaerobacterium saccharolyticum and show that this may be an important feature among other thermophilic ethanologenic anaerobes.
C1 [Lo, Jonathan; Zheng, Tianyong; Lynd, Lee R.] Dartmouth Coll, Dept Biol Sci, Hanover, NH 03755 USA.
[Olson, Daniel G.; Ruppertsberger, Natalie; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA.
[Tripathi, Shital A.] Total New Energies USA Inc, Emeryville, CA USA.
[Guss, Adam M.; Lynd, Lee R.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA.
[Lo, Jonathan; Zheng, Tianyong; Olson, Daniel G.; Ruppertsberger, Natalie; Guss, Adam M.; Lynd, Lee R.] BioEnergy Sci Ctr, Oak Ridge, TN USA.
RP Lynd, LR (reprint author), Dartmouth Coll, Dept Biol Sci, Hanover, NH 03755 USA.
EM Lee.R.Lynd@Dartmouth.edu
RI Guss, Adam/A-6204-2011
OI Guss, Adam/0000-0001-5823-5329
FU Office of Biological and Environmental Research in the DOE Office of
Science; Dartmouth College [4000115284, DE-AC05-00OR22725]; U.S.
Department of Energy
FX The BioEnergy Science Center is a U.S. Department of Energy (DOE)
Bioenergy Research Center supported by the Office of Biological and
Environmental Research in the DOE Office of Science. This paper was
authored by Dartmouth College under subcontract number 4000115284 and
contract number DE-AC05-00OR22725 with the U.S. Department of Energy.
NR 37
TC 7
Z9 7
U1 0
U2 7
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0021-9193
EI 1098-5530
J9 J BACTERIOL
JI J. Bacteriol.
PD SEP
PY 2015
VL 197
IS 18
BP 2920
EP 2929
DI 10.1128/JB.00347-15
PG 10
WC Microbiology
SC Microbiology
GA CQ6KH
UT WOS:000360712700003
PM 26124241
ER
PT J
AU Berg, LK
Riihimaki, LD
Qian, Y
Yan, HP
Huang, MY
AF Berg, Larry K.
Riihimaki, Laura D.
Qian, Yun
Yan, Huiping
Huang, Maoyi
TI The Low-Level Jet over the Southern Great Plains Determined from
Observations and Reanalyses and Its Impact on Moisture Transport
SO JOURNAL OF CLIMATE
LA English
DT Article
DE North America; Jets; Moisture; moisture budget; Water vapor; Reanalysis
data
ID CENTRAL UNITED-STATES; RADIANCE INTERFEROMETER AERI; ATMOSPHERIC
MOISTURE; WATER-VAPOR; REGIONAL REANALYSIS; NASA/DAO REANALYSES; SLOPING
TERRAIN; ENERGY BUDGETS; CLIMATOLOGY; PRECIPITATION
AB This study utilizes six commonly used reanalysis products, including the NCEP-Department of Energy Reanalysis 2 (NCEP2), NCEP Climate Forecast System Reanalysis (CFSR), ECMWF interim reanalysis (ERA-Interim), Japanese 25-year Reanalysis Project (JRA-25), Modern-Era Retrospective Analysis for Research and Applications (MERRA), and North American Regional Reanalysis (NARR), to evaluate features of the southern Great Plains low-level jet (LLJ) above the U.S. Department of Energy's Atmospheric Radiation Measurement Program (ARM) Climate Research Facility (ACRF) Southern Great Plains site. Two sets of radiosonde data are utilized: the six-week Midlatitude Continental Convective Clouds Experiment (MC3E) and a 10-yr period spanning 2001 through 2010. All six reanalyses are compared to MC3E data, while only the NARR, MERRA, and CFSR are compared to the 10-yr data. The reanalyses are able to represent most aspects of the composite LLJ profile, although there is a tendency for each reanalysis to overestimate the wind speed between the nose of the LLJ (at approximately 900 mb) and a pressure level of 700 mb. There are large discrepancies in the number of LLJs observed and derived from the reanalysis, particularly for strong LLJs, leading to an underestimate of the moisture transport associated with LLJs. When the 10-yr period is considered, the NARR and CFSR overestimate and MERRA underestimates the total moisture transport, but all three underestimate the transport associated with strong LLJs by factors of 1.4, 2.0, and 2.7 for CFSR, NARR, and MERRA, respectively. During MC3E there were differences in the patterns of moisture convergence and divergence, but the patterns are more consistent during the 10-yr period.
C1 [Berg, Larry K.; Riihimaki, Laura D.; Qian, Yun; Yan, Huiping; Huang, Maoyi] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Berg, LK (reprint author), Pacific NW Natl Lab, POB 999 MSIN K9-30, Richland, WA 99352 USA.
EM larryberg@pnnl.gov
RI qian, yun/E-1845-2011; Berg, Larry/A-7468-2016; Measurement,
Global/C-4698-2015;
OI Berg, Larry/0000-0002-3362-9492; Huang, Maoyi/0000-0001-9154-9485
FU Office of Science of the U.S. Department of Energy as part of the Earth
System Modeling program; DOE by Battelle Memorial Institute
[DE-AC05-76RLO1830]
FX This research was supported by the Office of Science of the U.S.
Department of Energy as part of the Earth System Modeling program and
used data from the ACRF. The Pacific Northwest National Laboratory is
operated for the DOE by Battelle Memorial Institute under Contract
DE-AC05-76RLO1830.
NR 53
TC 3
Z9 3
U1 4
U2 13
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD SEP
PY 2015
VL 28
IS 17
BP 6682
EP 6706
DI 10.1175/JCLI-D-14-00719.1
PG 25
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CQ4QW
UT WOS:000360590700006
ER
PT J
AU Lu, J
Chen, G
Leung, LR
Burrows, DA
Yang, Q
Sakaguchi, K
Hagos, S
AF Lu, Jian
Chen, Gang
Leung, L. Ruby
Burrows, D. Alex
Yang, Qing
Sakaguchi, Koichi
Hagos, Samson
TI Toward the Dynamical Convergence on the Jet Stream in Aquaplanet AGCMs
SO JOURNAL OF CLIMATE
LA English
DT Article
DE Advection; Mixing; Climate models; Diagnostics; General circulation
models; Numerical analysis; modeling
ID MULTIRESOLUTION MODELING APPROACH; CENTROIDAL VORONOI TESSELLATIONS;
COMMUNITY-ATMOSPHERIC-MODEL; SPECTRAL TRANSFORM MODEL; AMPLITUDE WAVE
ACTIVITY; PRECIPITATION EXTREMES; HORIZONTAL RESOLUTION; VERSION 3;
2-DIMENSIONAL TURBULENCE; EFFECTIVE DIFFUSIVITY
AB Systematic sensitivity of the jet position and intensity to horizontal model resolution is identified in several aquaplanet AGCMs, with the coarser resolution producing a more equatorward eddy-driven jet and a stronger upper-tropospheric jet intensity. As the resolution of the models increases to 50 km or finer, the jet position and intensity show signs of convergence within each model group. The mechanism for this convergence behavior is investigated using a hybrid Eulerian-Lagrangian finite-amplitude wave activity budget developed for the upper-tropospheric absolute vorticity. The results suggest that the poleward shift of the eddy-driven jet with higher resolution can be attributed to the smaller effective diffusivity of the model in the midlatitudes that allows more wave activity to survive the dissipation and to reach the subtropical critical latitude for wave breaking. The enhanced subtropical wave breaking and associated irreversible vorticity mixing act to maintain a more poleward peak of the vorticity gradient, and thus a more poleward jet. Being overdissipative, the coarse-resolution AGCMs misrepresent the nuanced nonlinear aspect of the midlatitude eddy-mean flow interaction, giving rise to the equatorward bias of the eddy-driven jet. In accordance with the asymptotic behavior of effective diffusivity of Batchelor turbulence in the large Peclet number limit, the upper-tropospheric effective diffusivity of the aquaplanet AGCMs displays signs of convergence in the midlatitude toward a value of approximately 10(7) m(2) s(-1) for the delta(2) diffusion. This provides a dynamical underpinning for the convergence of the jet stream observed in these AGCMs at high resolution.
C1 [Lu, Jian; Leung, L. Ruby; Yang, Qing; Sakaguchi, Koichi; Hagos, Samson] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Chen, Gang; Burrows, D. Alex] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY USA.
RP Lu, J (reprint author), 902 Battelle Blvd,POB 999,MSIN K9-30, Richland, WA 99352 USA.
EM jian.lu@pnnl.gov
RI Chen, Gang/I-3305-2012
OI Chen, Gang/0000-0003-4934-1909
FU Office of Science of the U.S. Department of Energy as part of the
Regional and Global Climate Modeling Program; DOE by Battelle Memorial
Institute [DE-AC05-76RL01830]; NSF [ATM-1064079]; DOE [DE-FOA-0001036]
FX This manuscript benefited greatly from the very constructive comments of
Edwin Gerber during the review process. This study is supported by the
Office of Science of the U.S. Department of Energy as part of the
Regional and Global Climate Modeling Program. PNNL is operated for DOE
by Battelle Memorial Institute under Contract DE-AC05-76RL01830. GC and
DAB are supported by NSF Grant ATM-1064079 and DOE Grant DE-FOA-0001036.
NR 63
TC 6
Z9 6
U1 0
U2 6
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD SEP
PY 2015
VL 28
IS 17
BP 6763
EP 6782
DI 10.1175/JCLI-D-14-00761.1
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CQ4QW
UT WOS:000360590700010
ER
PT J
AU Berlin, S
Carroll, EC
Newman, ZL
Okada, HO
Quinn, CM
Kallman, B
Rockwell, NC
Martin, SS
Lagarias, JC
Isacoff, EY
AF Berlin, Shai
Carroll, Elizabeth C.
Newman, Zachary L.
Okada, Hitomi O.
Quinn, Carson M.
Kallman, Benjamin
Rockwell, Nathan C.
Martin, Shelley S.
Lagarias, J. Clark
Isacoff, Ehud Y.
TI Photoactivatable genetically encoded calcium indicators for targeted
neuronal imaging
SO NATURE METHODS
LA English
DT Article
ID GREEN FLUORESCENT PROTEIN; CA2+ INDICATORS; DROSOPHILA BRAIN;
NERVOUS-SYSTEM; 2-PHOTON; EXCITATION; RECEPTOR; PROBE; OPTOGENETICS;
POTENTIALS
AB Circuit mapping requires knowledge of both structural and functional connectivity between cells. Although optical tools have been made to assess either the morphology and projections of neurons or their activity and functional connections, few probes integrate this information. We have generated a family of photoactivatable genetically encoded Ca2+ indicators that combines attributes of high-contrast photolabeling with high-sensitivity Ca2+ detection in a single-color protein sensor. We demonstrated in cultured neurons and in fruit fly and zebrafish larvae how single cells could be selected out of dense populations for visualization of morphology and high signal-to-noise measurements of activity, synaptic transmission and connectivity. Our design strategy is transferrable to other sensors based on circularly permutated GFP (cpGFP).
C1 [Berlin, Shai; Carroll, Elizabeth C.; Newman, Zachary L.; Okada, Hitomi O.; Quinn, Carson M.; Kallman, Benjamin; Isacoff, Ehud Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Berlin, Shai; Kallman, Benjamin; Isacoff, Ehud Y.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA.
[Rockwell, Nathan C.; Martin, Shelley S.; Lagarias, J. Clark] Univ Calif Davis, Dept Mol & Cellular Biol, Davis, CA 95616 USA.
[Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Isacoff, EY (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
EM ehud@berkeley.edu
RI Lagarias, J Clark/L-3139-2013;
OI Lagarias, J Clark/0000-0002-2093-0403; Berlin, shai/0000-0002-5153-4876
FU US National Science Foundation (NSF) Graduate Research Fellowship
[1106400]; NSF Major Research Instrumentation [1041078]; US National
Institute of General Medical Sciences [R01 GM068552]; US National
Institutes of Health Nanomedicine Development Center for the Optical
Control of Biological Function [2PN2EY01824]
FX We thank C. Stanley and Z. Fu for help with molecular biology, H. Aaron
for technical help with microscopy and C. Chang for fluorimeter use. We
also thank R.Y. Tsien (University of California, San Diego) for the
pRSETB vector, J.L. Bruses (University of Kansas) for the
generous gift of the mnx1-GAL4 construct and D. Friedmann for generating
the mnx1-GAL4 transgenic zebrafish line. The work was supported by US
National Science Foundation (NSF) Graduate Research Fellowship (1106400;
Z.L.N.), NSF Major Research Instrumentation (1041078; E.Y.I.), US
National Institute of General Medical Sciences (R01 GM068552; J.C.L.)
and US National Institutes of Health Nanomedicine Development Center for
the Optical Control of Biological Function (2PN2EY01824; E.Y.I.).
NR 54
TC 12
Z9 13
U1 7
U2 50
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1548-7091
EI 1548-7105
J9 NAT METHODS
JI Nat. Methods
PD SEP
PY 2015
VL 12
IS 9
BP 852
EP +
DI 10.1038/NMETH.3480
PG 10
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA CQ4PI
UT WOS:000360586700031
PM 26167640
ER
PT J
AU Jackson, RN
McCoy, AJ
Terwilliger, TC
Read, RJ
Wiedenheft, B
AF Jackson, Ryan N.
McCoy, Airlie J.
Terwilliger, Thomas C.
Read, Randy J.
Wiedenheft, Blake
TI X-ray structure determination using low-resolution electron microscopy
maps for molecular replacement
SO NATURE PROTOCOLS
LA English
DT Article
ID GUIDED SURVEILLANCE COMPLEX; CRYSTAL-STRUCTURE; 20S PROTEASOME;
CRYSTALLOGRAPHY; RNA; SOFTWARE; SYSTEM; MODEL
AB Structures of multisubunit macromolecular machines are primarily determined either by electron microscopy (EM) or by X-ray crystallography. In many cases, a structure for a complex can be obtained at low resolution (at a coarse level of detail) with EM and at a higher resolution (with finer detail) by X-ray crystallography. The integration of these two structural techniques is becoming increasingly important for the generation of atomic models of macromolecular complexes. A low-resolution EM image can be a powerful tool for obtaining the 'phase' information that is missing from an X-ray crystallography experiment; however, integration of EM and X-ray diffraction data has been technically challenging. Here we present a step-by-step protocol that explains how low-resolution EM maps can be placed in the crystallographic unit cell by molecular replacement, and how initial phases computed from the placed EM density are extended to high resolution by averaging maps over noncrystallographic symmetry. As the resolution gap between EM and X-ray crystallography continues to narrow, the use of EM maps to help with X-ray crystal structure determination, as described in this protocol, will become increasingly effective.
C1 [Jackson, Ryan N.; Wiedenheft, Blake] Montana State Univ, Dept Microbiol & Immunol, Bozeman, MT 59717 USA.
[McCoy, Airlie J.; Read, Randy J.] Univ Cambridge, Dept Haematol, Cambridge Inst Med Res, Cambridge, England.
[Terwilliger, Thomas C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
RP Wiedenheft, B (reprint author), Montana State Univ, Dept Microbiol & Immunol, Bozeman, MT 59717 USA.
EM bwiedenheft@gmail.com
RI Read, Randy/L-1418-2013; Terwilliger, Thomas/K-4109-2012
OI Read, Randy/0000-0001-8273-0047; Terwilliger, Thomas/0000-0001-6384-0320
FU National Research Service Award postdoctoral fellowship from the US
National Institutes of Health (NIH) [F32 GM108436]; NIH [GM063210];
Principal Research Fellowship from the Wellcome Trust [082961/Z/07/Z];
National Science Foundation EPSCoR [EPS-110134]; M.J. Murdock Charitable
Trust; Montana State University Agricultural Experimental Station; NIH
IDeA Program COBRE, an R01 [GM110732, GM108888]
FX R.N.J. is supported by the National Research Service Award postdoctoral
fellowship (F32 GM108436) from the US National Institutes of Health
(NIH). R.J.R. and T.C.T. are supported by a grant (GM063210) from the
NIH. R.J.R. is supported by a Principal Research Fellowship from the
Wellcome Trust (grant no. 082961/Z/07/Z). Research in the Wiedenheft lab
is supported by the NIH IDeA Program COBRE (GM110732), an R01 to B.W.
(GM108888), the National Science Foundation EPSCoR (EPS-110134), the
M.J. Murdock Charitable Trust and the Montana State University
Agricultural Experimental Station.
NR 23
TC 4
Z9 4
U1 1
U2 9
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1754-2189
EI 1750-2799
J9 NAT PROTOC
JI Nat. Protoc.
PD SEP
PY 2015
VL 10
IS 9
BP 1275
EP 1284
DI 10.1038/nprot.2015.069
PG 10
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA CQ3HQ
UT WOS:000360493200001
PM 26226459
ER
PT J
AU Aberg, S
Carlsson, BG
Dossing, T
Moller, P
AF Aberg, S.
Carlsson, B. G.
Dossing, Th.
Moller, P.
TI The role of seniority-zero states in nuclear level densities
SO NUCLEAR PHYSICS A
LA English
DT Article
DE Level-density; Seniority-zero states; Spin-distribution; 0(+)-states
ID MODEL
AB At low excitation energies seniority-zero states dominate the level density of K = 0 bands in deformed even even nuclei, while they play no role at higher excitation energies. We describe the level densities in a Fermi-gas model as well as in a combinatorial level-density model and compare to detailed experimental data for some rare-earth nuclei. An explanation is provided for recent observations of an odd even staggering in the spin-distribution function as an effect of r-symmetry of wave functions for deformed nuclei. The structure of 0(+) states in deformed nuclei is discussed in the model and compared to data, stressing the role of the seniority quantum number. The Fermi-gas model is utilized to obtain an overview of the odd even staggering phenomenon in other mass regions. Odd even staggering in spherical nuclei, appearing in open-shell nuclei, is briefly discussed as caused by fermion exchange symmetry. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Aberg, S.; Carlsson, B. G.] Lund Univ, Math Phys, S-22100 Lund, Sweden.
[Dossing, Th.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark.
[Moller, P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Aberg, S (reprint author), Lund Univ, Math Phys, POB 118, S-22100 Lund, Sweden.
EM sven.aberg@matfys.lth.se
OI Moller, Peter/0000-0002-5848-3565
FU Swedish Natural Science Research Council (VR); National Nuclear Security
Administration of the U.S. Department of Energy at Los Alamos National
Laboratory [DE-AC52-06NA25396]
FX S.A. and B.G.C. thank the Swedish Natural Science Research Council (VR)
for support. P.M. thanks the division of Mathematical Physics, Lund
University, for hospitality during several visits. The work of P.M. was
carried out under the auspices of the National Nuclear Security
Administration of the U.S. Department of Energy at Los Alamos National
Laboratory under Contract No. DE-AC52-06NA25396.
NR 20
TC 1
Z9 1
U1 2
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0375-9474
EI 1873-1554
J9 NUCL PHYS A
JI Nucl. Phys. A
PD SEP
PY 2015
VL 941
BP 97
EP 120
DI 10.1016/j.nuclphysa.2015.05.009
PG 24
WC Physics, Nuclear
SC Physics
GA CQ3PO
UT WOS:000360515100008
ER
PT J
AU Biswas, KH
Hartman, KL
Yu, CH
Harrison, OJ
Song, H
Smith, AW
Huang, WYC
Lin, WC
Guo, ZH
Padmanabhan, A
Troyanovsky, SM
Dustin, ML
Shapiro, L
Honig, B
Zaidel-Bar, R
Groves, JT
AF Biswas, Kabir H.
Hartman, Kevin L.
Yu, Cheng-han
Harrison, Oliver J.
Song, Hang
Smith, Adam W.
Huang, William Y. C.
Lin, Wan-Chen
Guo, Zhenhuan
Padmanabhan, Anup
Troyanovsky, Sergey M.
Dustin, Michael L.
Shapiro, Lawrence
Honig, Barry
Zaidel-Bar, Ronen
Groves, Jay T.
TI E-cadherin junction formation involves an active kinetic nucleation
process
SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF
AMERICA
LA English
DT Article
DE cadherin; diffusion; adhesion; nucleation; bilayer
ID SUPPORTED LIPID-BILAYERS; FLUORESCENCE CORRELATION SPECTROSCOPY;
SINGLE-PARTICLE TRACKING; LIVING CELL-MEMBRANE; IMMUNOLOGICAL SYNAPSE;
CLASSICAL CADHERINS; ADHERENS JUNCTIONS; LATERAL DIFFUSION;
PATTERN-FORMATION; EPITHELIAL-CELLS
AB Epithelial (E)-cadherin-mediated cell-cell junctions play important roles in the development and maintenance of tissue structure in multicellular organisms. E-cadherin adhesion is thus a key element of the cellular microenvironment that provides both mechanical and biochemical signaling inputs. Here, we report in vitro reconstitution of junction-like structures between native E-cadherin in living cells and the extracellular domain of E-cadherin (E-cad-ECD) in a supported membrane. Junction formation in this hybrid live cell-supported membrane configuration requires both active processes within the living cell and a supported membrane with low E-cad-ECD mobility. The hybrid junctions recruit a-catenin and exhibit remodeled cortical actin. Observations suggest that the initial stages of junction formation in this hybrid system depend on the trans but not the cis interactions between E-cadherin molecules, and proceed via a nucleation process in which protrusion and retraction of filopodia play a key role.
C1 [Biswas, Kabir H.; Hartman, Kevin L.; Yu, Cheng-han; Guo, Zhenhuan; Padmanabhan, Anup; Zaidel-Bar, Ronen; Groves, Jay T.] Natl Univ Singapore, Mechanobiol Inst, Singapore 117411, Singapore.
[Hartman, Kevin L.; Huang, William Y. C.; Groves, Jay T.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Harrison, Oliver J.; Song, Hang; Shapiro, Lawrence; Honig, Barry] Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10032 USA.
[Harrison, Oliver J.; Song, Hang; Honig, Barry] Columbia Univ, Howard Hughes Med Inst, New York, NY 10032 USA.
[Harrison, Oliver J.; Song, Hang; Shapiro, Lawrence; Honig, Barry] Columbia Univ, Ctr Computat Biol & Bioinformat, New York, NY 10032 USA.
[Smith, Adam W.; Lin, Wan-Chen; Groves, Jay T.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Troyanovsky, Sergey M.] Northwestern Univ, Feinberg Sch Med, Dept Dermatol, Chicago, IL 60611 USA.
[Dustin, Michael L.] Univ Oxford, Nuffield Dept Orthopaed Rheumatol & Musculoskelet, Kennedy Inst, Headington OX3 7FY, England.
[Zaidel-Bar, Ronen] Natl Univ Singapore, Dept Biomed Engn, Singapore 117411, Singapore.
[Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Honig, B (reprint author), Columbia Univ, Dept Biochem & Mol Biophys, 630 W 168th St, New York, NY 10032 USA.
EM bh6@cumc.columbia.edu; biezbr@nus.edu.sg; jtgroves@lbl.gov
RI Smith, Adam/B-7156-2016;
OI Smith, Adam/0000-0001-5216-9017; Zaidel-Bar, Ronen/0000-0002-1374-5007;
Biswas, Kabir/0000-0001-9194-4127; Padmanabhan,
Anup/0000-0001-6007-6929; Dustin, Michael/0000-0003-4983-6389
FU National Research Foundation (NRF) through Mechanobiology Institute,
National University of Singapore; NRF Competitive Research Programme
(CRP) Grant [CRP001-084]; National Research Foundation Singapore under
NRF fellowship [NRF-RF2009-RF001-074]; National Institutes of Health
[AI043542]; Principal Research fellowship - Wellcome Trust
[100262/Z/12/Z]; Kennedy Trust for Rheumatology; US National Institutes
of Health [R01 GM062270, AR44016]; National Science Foundation
[MCB-1412472]
FX This work was supported by National Research Foundation (NRF) through
the Mechanobiology Institute, National University of Singapore and NRF
Competitive Research Programme (CRP) Grant CRP001-084. R.Z.-B. was
supported by the National Research Foundation Singapore under its NRF
fellowship (NRF-RF2009-RF001-074). M.L.D. was supported by the National
Institutes of Health (AI043542) and a Principal Research fellowship
(100262/Z/12/Z) funded by the Wellcome Trust and the Kennedy Trust for
Rheumatology. This work was also supported in part by the US National
Institutes of Health (R01 GM062270 to L.S. and AR44016 to S.M.T.) and
the National Science Foundation (MCB-1412472 to B.H.).
NR 77
TC 18
Z9 18
U1 5
U2 26
PU NATL ACAD SCIENCES
PI WASHINGTON
PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA
SN 0027-8424
J9 P NATL ACAD SCI USA
JI Proc. Natl. Acad. Sci. U. S. A.
PD SEP 1
PY 2015
VL 112
IS 35
BP 10932
EP 10937
DI 10.1073/pnas.1513775112
PG 6
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA CQ1TV
UT WOS:000360383200046
PM 26290581
ER
PT J
AU Bevelhimer, MS
Mcmanamay, RA
O'Connor, B
AF Bevelhimer, M. S.
Mcmanamay, R. A.
O'Connor, B.
TI Characterizing Sub-Daily Flow Regimes: Implications of Hydrologic
Resolution on Ecohydrology Studies
SO RIVER RESEARCH AND APPLICATIONS
LA English
DT Article
DE instream flow; hydropower; peaking; sub-daily
ID TROUT SALMO-TRUTTA; JUVENILE ATLANTIC SALMON; FISH ASSEMBLAGE;
UNITED-STATES; RIVER; STREAMS; HABITAT; HYDROPEAKING; VARIABILITY;
DISCHARGE
AB Natural variability in flow is a primary factor controlling geomorphic and ecological processes in riverine ecosystems. Within the hydropower industry, there is growing pressure from environmental groups and natural resource managers to change reservoir releases from daily peaking to run-of-river operations on the basis of the assumption that downstream biological communities will improve under a more natural flow regime. In this paper, we discuss the importance of assessing sub-daily flows for understanding the physical and ecological dynamics within river systems. We present a variety of metrics for characterizing sub-daily flow variation and use these metrics to evaluate general trends among streams affected by peaking hydroelectric projects, run-of-river projects and streams that are largely unaffected by flow altering activities. Univariate and multivariate techniques were used to assess similarity among different stream types on the basis of these sub-daily metrics. For comparison, similar analyses were performed using analogous metrics calculated with mean daily flow values. Our results confirm that sub-daily flow metrics reveal variation among and within streams that are not captured by daily flow statistics. Using sub-daily flow statistics, we were able to quantify the degree of difference between unaltered and peaking streams and the amount of similarity between unaltered and run-of-river streams. The sub-daily statistics were largely uncorrelated with daily statistics of similar scope. On short temporal scales, sub-daily statistics reveal the relatively constant nature of unaltered stream reaches and the highly variable nature of hydropower-affected streams, whereas daily statistics show just the opposite over longer temporal scales. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.
C1 [Bevelhimer, M. S.; Mcmanamay, R. A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37922 USA.
[O'Connor, B.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA.
RP Bevelhimer, MS (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37922 USA.
EM bevelhimerms@ornl.gov
FU US Department of Energy's (DOE) Office of Energy Efficiency and
Renewable Energy, Wind and Water Power Program; DOE [DE-AC05-00OR22725]
FX The authors have no conflicting interests or relationships, financial or
otherwise, that influenced our objectivity in the preparation of this
paper. S. Hetrick and C. DeRolph provided valuable comments on an
earlier version of this manuscript. This research was funded by the US
Department of Energy's (DOE) Office of Energy Efficiency and Renewable
Energy, Wind and Water Power Program. Oak Ridge National Laboratory is
managed by UT-Battelle, LLC, for the DOE under contract
DE-AC05-00OR22725.
NR 57
TC 17
Z9 18
U1 2
U2 27
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1535-1459
EI 1535-1467
J9 RIVER RES APPL
JI River Res. Appl.
PD SEP
PY 2015
VL 31
IS 7
BP 867
EP 879
DI 10.1002/rra.2781
PG 13
WC Environmental Sciences; Water Resources
SC Environmental Sciences & Ecology; Water Resources
GA CQ7FV
UT WOS:000360769300008
ER
PT J
AU Zhong, XC
Liu, ZW
Min, JX
Tian, HC
Karl, AG
Vitalij, KP
AF Zhong XiChun
Liu ZhongWu
Min JiXiong
Tian HuaCun
Karl, Gschneidner Jr A.
Vitalij, Pecharsky K.
TI Magnetic properties and magnetic entropy changes of MRE2Co7 compounds
SO SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
LA English
DT Article
DE (La0.5Ce0.5)(2)Co-7 compound; (Ce0.65Pr0.35)(2)Co-7 compound; magnetic
property; magnetic entropy change
ID INTERMETALLIC COMPOUNDS; RARE-EARTH; TB; HO; DY; PR2CO7; GD; ER
AB (La0.5Ce0.5)(2)Co-7 and (Ce0.65Pr0.35)(2)Co-7 compounds for magnetic refrigeration were studied by X-ray diffraction, ac susceptibility and isothermal magnetization measurements. X-ray powder diffraction shows that all the compounds have hexagonal Ce2Ni7-type structure. The Curie temperatures (TC) are 258 K and 222 K for (La0.5Ce0.5)(2)Co-7 and (Ce0.65Pr0.35)(2)Co-7 compounds, respectively. High coercivities (HC) of about 1.74 and 6.61 kOe at 5 K with a smooth demagnetization curves were obtained for the (La0.5Ce0.5)(2)Co-7 and (Ce0.65Pr0.35)(2)Co-7 compounds, respectively. For an applied field change from 0 to 50 kOe, the maximum (-Delta SM) for (La0.5Ce0.5)(2)Co-7 and (Ce0.65Pr0.35)(2)Co-7 compounds are 0.52 and 0.67 J/(kg K), respectively.
C1 [Zhong XiChun; Liu ZhongWu; Tian HuaCun] S China Univ Technol, Sch Mat Sci & Engn, Guangzhou 510640, Guangdong, Peoples R China.
[Zhong XiChun; Karl, Gschneidner Jr A.; Vitalij, Pecharsky K.] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA.
[Zhong XiChun; Karl, Gschneidner Jr A.; Vitalij, Pecharsky K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Min JiXiong] Sun Yat Sen Univ, Sch Phys & Engn, State Key Lab Optoelect Mat & Technol, Guangzhou 510275, Guangdong, Peoples R China.
RP Zhong, XC (reprint author), S China Univ Technol, Sch Mat Sci & Engn, Guangzhou 510640, Guangdong, Peoples R China.
EM xczhong@scut.edu.cn
RI Liu, Zhongwu/D-8015-2012
OI Liu, Zhongwu/0000-0002-2560-6282
FU U.S. Department of Energy, Office of Basic Energy Science, Division of
Materials Sciences and Engineering; U.S. Department of Energy
[DE-AC02-07CH11358]; Scientific Research Foundation for the Returned
Overseas Chinese Scholars, Education Ministry of China [x2clB7120290];
Guangzhou Municipal Science and Technology Program [12F582080022];
Fundamental Research Funds for the Central Universities of China
[2012ZZ0013, 2014ZZ0005]
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Science, Division of Materials Sciences and Engineering.
The research was performed at the Ames Laboratory. Ames Laboratory is
operated for the U.S. Department of Energy by Iowa State University
under contract No. DE-AC02-07CH11358. ZHONG X C also thanks the
Scientific Research Foundation for the Returned Overseas Chinese
Scholars, Education Ministry of China (Grant No. x2clB7120290), the
Guangzhou Municipal Science and Technology Program (Grant No.
12F582080022) and the Fundamental Research Funds for the Central
Universities of China (Grant Nos. 2012ZZ0013 and 2014ZZ0005).
NR 18
TC 0
Z9 0
U1 0
U2 6
PU SCIENCE PRESS
PI BEIJING
PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA
SN 1674-7348
EI 1869-1927
J9 SCI CHINA PHYS MECH
JI Sci. China-Phys. Mech. Astron.
PD SEP
PY 2015
VL 58
IS 9
AR 597501
DI 10.1007/s11433-015-5656-9
PG 4
WC Physics, Multidisciplinary
SC Physics
GA CQ8CQ
UT WOS:000360834200009
ER
PT J
AU Harilal, SS
Diwakar, PM
LaHaye, NL
Phillips, MC
AF Harilal, S. S.
Diwakar, P. M.
LaHaye, N. L.
Phillips, M. C.
TI Spatio-temporal evolution of uranium emission in laser-produced plasmas
SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
LA English
DT Article
DE U emission; LIBS; Ambient gas effects; Line broadening; Nuclear
forensics
ID INDUCED BREAKDOWN SPECTROSCOPY; ABSORPTION SPECTROSCOPY;
NUCLEAR-MATERIALS; ENERGY-LEVELS; LIBS; OPTIMIZATION; SPECTROMETRY;
STRENGTHS; THORIUM; LINES
AB Laser-induced plasma spectroscopy provides much impetus as a nuclear forensics tool because of its capability of standoff detection and real-time analysis. However, special nuclear materials like U, Pu, etc. provide very crowded spectra and, when combined with shifts and broadening of spectral lines caused by ambient atmospheric operation, generate a complex plasma spectroscopy system. We explored the spatio-temporal evolution of excited U species in a laser ablation plume under various ambient pressure conditions. Plasmas were generated using 1064 nm, 6 ns pulses from a Nd:YAG laser on a U containing glass matrix target. The role of air ambient pressure on U line intensities, signal-to-background ratios, and linewidths were investigated. Spatially and temporally resolved optical time-of-flight emission spectroscopy of excited uranium atoms were used for studying the expansion hydrodynamics and the persistence of U species in the plume. Our results showed that U emission linewidths increased with pressure due to increased Stark broadening; however, the broadening was less than that for Ca. A comparison with U emission features in the presence of an inert gas showed the persistence of U species in plasmas in ambient air is significantly reduced; this could be due to oxide and other reactive species formation. (C) 2015 Published by Elsevier B.V.
C1 [Harilal, S. S.; LaHaye, N. L.; Phillips, M. C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Diwakar, P. M.] Purdue Univ, Sch Nucl Engn, W Lafayette, IN 47907 USA.
RP Harilal, SS (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM hari@pnnl.gov
RI Harilal, Sivanandan/B-5438-2014;
OI Harilal, Sivanandan/0000-0003-2266-7976; LaHaye,
Nicole/0000-0001-5047-8078
FU DOE/NNSA Office of Nonproliferation and Verification Research and
Development [NA-22]; U.S. Department of Energy [DE-AC05-76RL01830]
FX This work was supported by the DOE/NNSA Office of Nonproliferation and
Verification Research and Development (NA-22). Pacific Northwest
National Laboratory, a multi-program national laboratory operated by
Battelle for the U.S. Department of Energy under Contract
DE-AC05-76RL01830
NR 40
TC 6
Z9 6
U1 6
U2 25
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0584-8547
J9 SPECTROCHIM ACTA B
JI Spectroc. Acta Pt. B-Atom. Spectr.
PD SEP 1
PY 2015
VL 111
BP 1
EP 7
DI 10.1016/j.sab.2015.06.003
PG 7
WC Spectroscopy
SC Spectroscopy
GA CQ7HS
UT WOS:000360774200001
ER
PT J
AU Scheibe, TD
Schuchardt, K
Agarwal, K
Chase, J
Yang, XF
Palmer, BJ
Tartakovsky, AM
Elsethagen, T
Redden, G
AF Scheibe, Timothy D.
Schuchardt, Karen
Agarwal, Khushbu
Chase, Jared
Yang, Xiaofan
Palmer, Bruce J.
Tartakovsky, Alexandre M.
Elsethagen, Todd
Redden, George
TI Hybrid multiscale simulation of a mixing-controlled reaction
SO ADVANCES IN WATER RESOURCES
LA English
DT Article
DE Pore-scale modeling; Hybrid multiscale; Mixing-controlled reaction;
Computational methods
ID SMOOTHED PARTICLE HYDRODYNAMICS; DIRECT NUMERICAL-SIMULATION; LATTICE
BOLTZMANN METHOD; PORE-NETWORK MODELS; FIXED-BED REACTORS; SINGLE-PHASE
FLOW; POROUS-MEDIA; MULTIPHASE FLOW; HETEROGENEOUS MEDIA; SCALE
SIMULATION
AB Continuum scale models, which employ a porous medium conceptualization to represent properties and processes averaged over a large number of solid grains and pore spaces, are widely used to study subsurface flow and reactive transport. Recently, pore-scale models, which explicitly resolve individual soil grains and pores, have been developed to more accurately model and study pore scale phenomena, such as mineral precipitation and dissolution reactions, microbially-mediated surface reactions, and other complex processes. However, these highly resolved models are prohibitively expensive for modeling domains of sizes relevant to practical problems. To broaden the utility of pore scale models for larger domains, we developed a hybrid multiscale model that initially simulates the full domain at the continuum scale and applies a pore scale model only to areas of high reactivity. Since the location and number of pore-scale model regions in the model varies as the reactions proceed, an adaptive script defines the number and location of pore regions within each continuum iteration and initializes pore-scale simulations from macroscale information. Another script communicates information from the pore-scale simulation results back to the continuum scale. These components provide loose coupling between the pore- and continuum-scale codes into a single hybrid multiscale model implemented within the SWIFT workflow environment. In this paper, we consider an irreversible homogeneous bimolecular reaction (two solutes reacting to form a third solute) in a 2D test problem. This paper is focused on the approach used for multiscale coupling between pore- and continuumscale models, application to a realistic test problem, and implications of the results for predictive simulation of mixing-controlled reactions in porous media. Our results and analysis demonstrate that the hybrid multiscale method provides a feasible approach for increasing the accuracy of subsurface reactive transport simulations. (C) 2015 Published by Elsevier Ltd.
C1 [Scheibe, Timothy D.; Schuchardt, Karen; Agarwal, Khushbu; Chase, Jared; Yang, Xiaofan; Palmer, Bruce J.; Tartakovsky, Alexandre M.; Elsethagen, Todd] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Redden, George] Montana State Univ, Bozeman, MT 59717 USA.
RP Scheibe, TD (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM Tim.Scheibe@pnnl.gov
RI Yang, Xiaofan/L-6472-2015; Scheibe, Timothy/A-8788-2008
OI Yang, Xiaofan/0000-0003-4514-0229; Scheibe, Timothy/0000-0002-8864-5772
FU U. S. Department of Energy (DOE) office of Biological and Environmental
Research through the PNNL Subsurface Science Scientific Focus Area
project; DOE office of Advanced Scientific Computing Research under the
Scientific Discovery through Advanced Computing (SciDAC) program; DOE
Office of Science; DOE by Battelle Memorial Institute [DE-AC06-76RLO
1830]
FX The research was supported by the U. S. Department of Energy (DOE)
office of Biological and Environmental Research through the PNNL
Subsurface Science Scientific Focus Area project and the DOE office of
Advanced Scientific Computing Research under the Scientific Discovery
through Advanced Computing (SciDAC) program. Computations described here
were performed using computational facilities of the National Energy
Research Scientific Computing Center (NERSC), a national scientific user
facility sponsored by DOE Office of Science. PNNL is operated for the
DOE by Battelle Memorial Institute under Contract No. DE-AC06-76RLO
1830.
NR 85
TC 2
Z9 2
U1 3
U2 33
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0309-1708
EI 1872-9657
J9 ADV WATER RESOUR
JI Adv. Water Resour.
PD SEP
PY 2015
VL 83
BP 228
EP 239
DI 10.1016/j.advwatres.2015.06.006
PG 12
WC Water Resources
SC Water Resources
GA CP9CV
UT WOS:000360192200020
ER
PT J
AU Punshon, T
Chen, S
Finney, L
Howard, L
Jackson, BP
Karagas, MR
Ornvold, K
AF Punshon, Tracy
Chen, Si
Finney, Lydia
Howard, Louisa
Jackson, Brian P.
Karagas, Margaret R.
Ornvold, Kim
TI High-resolution elemental mapping of human placental chorionic villi
using synchrotron X-ray fluorescence spectroscopy
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Article
DE Synchrotron X-ray fluorescence; Placenta; Sample preparation
ID CRYOELECTRON TOMOGRAPHY; FORMALIN FIXATION; ARABIDOPSIS SEED; ARSENIC
EXPOSURE; LOCALIZATION; MICROSCOPY; TISSUE; SAMPLES; CELLS; IRON
AB The placenta is the organ that mediates transport of nutrients and waste materials between mother and fetus. Synchrotron X-ray fluorescence (SXRF) microanalysis is a tool for imaging the distribution and quantity of elements in biological tissue, which can be used to study metal transport across biological membranes. Our aims were to pilot placental biopsy specimen preparation techniques that could be integrated into an ongoing epidemiology birth cohort study without harming rates of sample acquisition. We studied the effects of fixative (formalin or glutaraldehyde) and storage duration (30 days or immediate processing) on metal distribution and abundance and investigated a thaw-fixation protocol for archived specimens stored at -80 A degrees C. We measured fixative elemental composition with and without a placental biopsy via inductively coupled plasma mass spectrometry (ICP-MS) to quantify fixative-induced elemental changes. Formalin-fixed specimens showed hemolysis of erythrocytes. The glutaraldehyde-paraformaldehyde solution in HEPES buffer (GTA-HEPES) had superior anatomical preservation, avoided hemolysis, and minimized elemental loss, although some cross-linking of exogenous Zn was evident. Elemental loss from tissue stored in fixative for 1 month showed variable losses (a parts per thousand 40 % with GTA-HEPES), suggesting storage duration be controlled for. Thawing of tissue held at -80 A degrees C in a GTA-HEPES solution provided high-quality visual images and elemental images.
C1 [Punshon, Tracy; Howard, Louisa; Jackson, Brian P.] Dartmouth Coll, Hanover, NH 03755 USA.
[Chen, Si; Finney, Lydia] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Lemont, IL 60439 USA.
[Karagas, Margaret R.] Dartmouth Coll, Geisel Sch Med, Hanover, NH 03755 USA.
[Ornvold, Kim] Dartmouth Hitchcock Med Ctr, Lebanon, NH 03756 USA.
RP Punshon, T (reprint author), Dartmouth Coll, 78 Coll St, Hanover, NH 03755 USA.
EM tracy.punshon@dartmouth.edu
FU National Institute of General Medical Sciences [P20 GM104416]; National
Institute of Environmental Health at the NIH [P01ES022832, P42
ES007373]; Environmental Protection Agency [RD83544201]; DOE Office of
Science by Argonne National Laboratory [DE-AC02-06CH11357]
FX This work was supported in part by the following: P20 GM104416 from the
National Institute of General Medical Sciences, P01ES022832 and P42
ES007373 from the National Institute of Environmental Health at the NIH,
and RD83544201 from the Environmental Protection Agency. This research
used resources of the Advanced Photon Source, a US Department of Energy
(DOE) Office of Science User Facility operated by the DOE Office of
Science by Argonne National Laboratory under Contract No.
DE-AC02-06CH11357.
NR 29
TC 3
Z9 3
U1 5
U2 28
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1618-2642
EI 1618-2650
J9 ANAL BIOANAL CHEM
JI Anal. Bioanal. Chem.
PD SEP
PY 2015
VL 407
IS 22
BP 6839
EP 6850
DI 10.1007/s00216-015-8861-5
PG 12
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA CP9NJ
UT WOS:000360220800026
PM 26138895
ER
PT J
AU Custelcean, R
Williams, NJ
Seipp, CA
AF Custelcean, Radu
Williams, Neil J.
Seipp, Charles A.
TI Aqueous Sulfate Separation by Crystallization of Sulfate-Water Clusters
SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
LA English
DT Article
DE anions; cluster compounds; guanidines; hydrates; hydrazones
ID GUANIDINIUM RECEPTORS; TETRAHEDRAL OXOANIONS; INJECTION OPERATIONS;
ALKALINE-SOLUTIONS; ANION; CAPSULES; BINDING; RECOGNITION; SOLVATION;
THERMODYNAMICS
AB An effective approach to sulfate separation from aqueous solutions is based on the crystallization of extended [SO4(H2O)(5)(2-)](n) sulfate-water clusters with a bis(guanidinium) ligand. The ligand was generated insitu by hydrazone condensation in water, thereby bypassing the need for elaborate syntheses, tedious purifications, and organic solvents. Crystallization of sulfate-water clusters represents an alternative approach to the now established sulfate separation strategies that involve encapsulation of the naked anion.
C1 [Custelcean, Radu; Williams, Neil J.; Seipp, Charles A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Williams, Neil J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Seipp, Charles A.] Univ Texas Austin, Dept Chem, Austin, TX 78712 USA.
RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM custelceanr@ornl.gov
RI Seipp, Charles/J-5546-2016; Custelcean, Radu/C-1037-2009
OI Seipp, Charles/0000-0003-4476-6991; Custelcean, Radu/0000-0002-0727-7972
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Chemical Sciences, Geosciences, and Biosciences Division
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences, Chemical Sciences,
Geosciences, and Biosciences Division.
NR 44
TC 9
Z9 9
U1 2
U2 14
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 1433-7851
EI 1521-3773
J9 ANGEW CHEM INT EDIT
JI Angew. Chem.-Int. Edit.
PD SEP 1
PY 2015
VL 54
IS 36
BP 10525
EP 10529
DI 10.1002/anie.201506314
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA CQ0UL
UT WOS:000360312800021
PM 26252802
ER
PT J
AU Do, M
Isaacson, SA
McDermott, G
Le Gros, MA
Larabell, CA
AF Do, Myan
Isaacson, Samuel A.
McDermott, Gerry
Le Gros, Mark A.
Larabell, Carolyn A.
TI Imaging and characterizing cells using tomography
SO ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
LA English
DT Review
DE Correlated; Cryogenic; Fluorescence; Microscopy; Modeling; Nucleus; Soft
X-ray tomography
ID X-RAY TOMOGRAPHY; DNA-BINDING SITES; ELECTRON TOMOGRAPHY; BIOLOGICAL
SPECIMENS; SPATIAL-RESOLUTION; LIGHT-MICROSCOPY; CORRELATED LIGHT;
RECONSTRUCTION; MOLECULES; FLUORESCENCE
AB We can learn much about cell function by imaging and quantifying sub-cellular structures, especially if this is done non-destructively without altering said structures. Soft X-ray tomography (SXT) is a high-resolution imaging technique for visualizing cells and their interior structure in 3D. A tomogram of the cell, reconstructed from a series of 2D projection images, can be easily segmented and analyzed. SXT has a very high specimen throughput compared to other high-resolution structure imaging modalities; for example, tomographic data for reconstructing an entire eukaryotic cell is acquired in a matter of minutes. SXT visualizes cells without the need for chemical fixation, dehydration, or staining of the specimen. As a result, the SXT reconstructions are close representations of cells in their native state. SXT is applicable to most cell types. The deep penetration of soft X-rays allows cells, even mammalian cells, to be imaged without being sectioned. Image contrast in SXT is generated by the differential attenuation soft X-ray illumination as it passes through the specimen. Accordingly, each voxel in the tomographic reconstruction has a measured linear absorption coefficient (LAC) value. LAC values are quantitative and give rise to each sub-cellular component having a characteristic LAC profile, allowing organelles to be identified and segmented from the milieu of other cell contents. In this chapter, we describe the fundamentals of SXT imaging and how this technique can answer real world questions in the study of the nucleus. We also describe the development of correlative methods for the localization of specific molecules in a SXT reconstruction. The combination of fluorescence and SXT data acquired from the same specimen produces composite 3D images, rich with detailed information on the inner workings of cells. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Do, Myan; McDermott, Gerry; Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA.
[Do, Myan; McDermott, Gerry; Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Xray Tomog, Berkeley, CA 94720 USA.
[Do, Myan; McDermott, Gerry; Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Isaacson, Samuel A.] Boston Univ, Dept Math & Stat, Boston, MA 02215 USA.
RP Larabell, CA (reprint author), Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA.
EM Carolyn.Larabell@ucsf.edu
OI Isaacson, Samuel/0000-0002-7543-8619
FU US Department of Energy, Office of Biological and Environmental Research
[DE-AC02-05CH11231]; National Center for Research Resources of the
National Institutes of Health [P41RR019664]; National Institutes of
General Medicine of the National Institutes of Health [GM63948]; Gordon
and Betty Moore Foundation [3497]; NSF [DMS-0920886, DMS-1255408]
FX This work was supported by the US Department of Energy, Office of
Biological and Environmental Research (DE-AC02-05CH11231), the National
Center for Research Resources of the National Institutes of Health
(P41RR019664), the National Institutes of General Medicine of the
National Institutes of Health (GM63948), and the Gordon and Betty Moore
Foundation (3497). S.A.I. was supported by NSF DMS-0920886 and NSF
DMS-1255408. S.A.I. also thanks Dr. Larabell and The National Center for
X-ray Tomography for hosting him during his fall 2014 sabbatical.
NR 63
TC 10
Z9 10
U1 8
U2 35
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0003-9861
EI 1096-0384
J9 ARCH BIOCHEM BIOPHYS
JI Arch. Biochem. Biophys.
PD SEP 1
PY 2015
VL 581
SI SI
BP 111
EP 121
DI 10.1016/j.abb.2015.01.011
PG 11
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA CP9BC
UT WOS:000360187700013
PM 25602704
ER
PT J
AU Teng, YHG
Berger, WT
Nesbitt, NM
Kumar, K
Balius, TE
Rizzo, RC
Tonge, PJ
Ojima, I
Swaminathan, S
AF Teng, Yu-Han Gary
Berger, William T.
Nesbitt, Natasha M.
Kumar, Kunal
Balius, Trent E.
Rizzo, Robert C.
Tonge, Peter J.
Ojima, Iwao
Swaminathan, Subramanyam
TI Computer-aided identification, synthesis, and biological evaluation of
novel inhibitors for botulinum neurotoxin serotype A
SO BIOORGANIC & MEDICINAL CHEMISTRY
LA English
DT Article
DE Botulinum neurotoxin; BoNT/A-LC inhibitor; SNAPtide; SNAP-25; HTP in
silico screening
ID MANAGEMENT; TOXIN; MODEL
AB Botulinum neurotoxins (BoNTs) are among the most potent biological toxin known to humans, and are classified as Category A bioterrorism agents by the Centers for Disease Control and prevention (CDC). There are seven known BoNT serotypes (A-G) which have been thus far identified in literature. BoNTs have been shown to block neurotransmitter release by cleaving proteins of the soluble NSF attachment protein receptor (SNARE) complex. Disruption of the SNARE complex precludes motor neuron failure which ultimately results in flaccid paralysis in humans and animals. Currently, there are no effective therapeutic treatments against the neurotoxin light chain (LC) after translocation into the cytosols of motor neurons. In this work, high-throughput in silico screening was employed to screen a library of commercially available compounds from ZINC database against BoNT/A-LC. Among the hit compounds from the in silico screening, two lead compounds were identified and found to have potent inhibitory activity against BoNT/A-LC in vitro, as well as in Neuro-2a cells. A few analogs of the lead compounds were synthesized and their potency examined. One of these analogs showed an enhanced activity than the lead compounds. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Teng, Yu-Han Gary; Nesbitt, Natasha M.; Kumar, Kunal; Rizzo, Robert C.; Tonge, Peter J.; Ojima, Iwao; Swaminathan, Subramanyam] SUNY Stony Brook, Inst Chem Biol & Drug Discovery, Stony Brook, NY 11794 USA.
[Berger, William T.; Tonge, Peter J.; Ojima, Iwao] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Swaminathan, Subramanyam] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA.
[Balius, Trent E.; Rizzo, Robert C.] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
RP Ojima, I (reprint author), SUNY Stony Brook, Inst Chem Biol & Drug Discovery, Stony Brook, NY 11794 USA.
EM iwao.ojima@stonybrook.edu
FU Defense Threat Reduction Agency (DTRA), Department of Defense, United
States [TCBM.THRTOX.01.10.BNL.017]
FX This research was supported by a Grant from the Defense Threat Reduction
Agency (DTRA), Department of Defense (TCBM.THRTOX.01.10.BNL.017 to
S.S.), United States.
NR 22
TC 2
Z9 2
U1 0
U2 9
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0968-0896
EI 1464-3391
J9 BIOORGAN MED CHEM
JI Bioorg. Med. Chem.
PD SEP 1
PY 2015
VL 23
IS 17
BP 5489
EP 5495
DI 10.1016/j.bmc.2015.07.040
PG 7
WC Biochemistry & Molecular Biology; Chemistry, Medicinal; Chemistry,
Organic
SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Chemistry
GA CQ1IG
UT WOS:000360349900026
PM 26275678
ER
PT J
AU Laguna, I
Ahn, DH
de Supinski, BR
Gamblin, T
Lee, GL
Schulz, M
Bagchi, S
Kulkarni, M
Zhou, BW
Chen, ZZ
Qin, F
AF Laguna, Ignacio
Ahn, Dong H.
de Supinski, Bronis R.
Gamblin, Todd
Lee, Gregory L.
Schulz, Martin
Bagchi, Saurabh
Kulkarni, Milind
Zhou, Bowen
Chen, Zhezhe
Qin, Feng
TI Debugging High-Performance Computing Applications at Massive Scales
SO COMMUNICATIONS OF THE ACM
LA English
DT Article
ID PARALLEL PROGRAMS; IMPLEMENTATION
C1 [Laguna, Ignacio; Gamblin, Todd; Schulz, Martin] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA.
[Ahn, Dong H.; Lee, Gregory L.] Lawrence Livermore Natl Lab, Livermore Comp Ctr, Livermore, CA USA.
[de Supinski, Bronis R.] Lawrence Livermore Natl Lab, Livermore Comp, Livermore, CA USA.
[de Supinski, Bronis R.] Queens Univ Belfast, Exascale Comp, Belfast, Antrim, North Ireland.
[de Supinski, Bronis R.] Texas A&M Univ, Dept Comp Sci, College Stn, TX 77843 USA.
[Schulz, Martin] MPI Forum, Bordeaux, France.
[Bagchi, Saurabh; Zhou, Bowen] Purdue Univ, W Lafayette, IN 47907 USA.
[Kulkarni, Milind] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA.
[Zhou, Bowen] Turn, Redwood City, CA USA.
[Chen, Zhezhe] Twitter Inc, San Francisco, CA USA.
[Chen, Zhezhe] Ohio State Univ, Columbus, OH 43210 USA.
[Qin, Feng] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA.
RP Laguna, I (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA.
EM ilaguna@llnl.gov; ahn1@llnl.gov; bronis@llnl.gov; tgamblin@llnl.gov;
lee218@llnl.gov; schulzm@llnl.gov; sbagchi@purdue.edu;
milind@purdue.edu; bwzhou@gmail.com; zhezhec@twitter.com;
qin@cse.ohio-state.edu
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DEAC52-07NA27344, LLNL-JRNL-652400]; National Science Foundation
[CNS-0916337, CCF-1337158, CCF-0953759, CNS-0403342]
FX The research and development related to this article was performed
partially under the auspices of the U.S. Department of Energy by
Lawrence Livermore National Laboratory under contract DEAC52-07NA27344
(LLNL-JRNL-652400) and support from National Science Foundation awards
CNS-0916337, CCF-1337158, CCF-0953759, and CNS-0403342.
NR 28
TC 1
Z9 1
U1 0
U2 2
PU ASSOC COMPUTING MACHINERY
PI NEW YORK
PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA
SN 0001-0782
EI 1557-7317
J9 COMMUN ACM
JI Commun. ACM
PD SEP
PY 2015
VL 58
IS 9
BP 72
EP 81
DI 10.1145/2667219
PG 10
WC Computer Science, Hardware & Architecture; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA CP9KW
UT WOS:000360214000021
ER
PT J
AU Coleman, AM
Diefenderfer, HL
Ward, DL
Borde, AB
AF Coleman, Andre M.
Diefenderfer, Heida L.
Ward, Duane L.
Borde, Amy B.
TI A spatially based area-time inundation index model developed to assess
habitat opportunity in tidal-fluvial wetlands and restoration sites
SO ECOLOGICAL ENGINEERING
LA English
DT Article
DE Aquatic terrestrial interface; Connectivity; Environmental flow;
Estuary; Hydrological reconnection; Hydropower mitigation; Restoration;
Riparian; Salmon; Spatial modeling; Terrain analysis; Tidal hydrology
ID DIGITAL ELEVATION MODEL; COLUMBIA RIVER ESTUARY; FORESTED WETLANDS;
SALMONID HABITAT; FOOD WEBS; USA; MICROTOPOGRAPHY; EXTRACTION; PATTERNS;
ECOLOGY
AB A geographic information system (GIS)-based Area-Time Inundation Index Model (ATIIM) was developed to predict and evaluate availability of hydrologically connected habitats in estuarine and tidal-fluvial regions. The model establishes and describes patterns in the spatial and temporal relationships of the land and water including non-dimensional area-time and volume-time inundation indices. The processing integrates in situ or modeled water-surface elevation (WSE) data with high-resolution elevation data, using established terrain generation and spatial hydrologic analysis methods which are applied in a new geographic domain: the low-relief microtopography characteristic of coastal wetlands. The ATIIM links these data to newly developed, spatially continuous wetted-area algorithms in a GIS module and determines site average bankfull elevation, two-and three-dimensional inundation extent, and other spatial, tabular, and graph-based metrics. It is a cost-effective, rapid assessment tool suitable for the desktop planning environment, and represents an advance over methods that estimate inundation but do not enforce hydrological connectivity. Example model outputs for 11 tidal wetland areas in the lower Columbia River floodplain and estuary illustrate habitat opportunity for threatened and endangered salmon. Outputs for wetland reference sites (tidal marshes and tidal forested wetlands) are compared with river-restoration sites where objectives include increasing salmon access to beneficial habitats by hydrologically reconnecting channels in diked areas of the floodplain. Hydrological process metrics produced by the model, both new and commonly used, support the prioritization of proposed restoration sites, pre-construction planning, and post-construction evaluation. For example, the model can help determine relationships between WSE and habitat opportunity, contrast alternative restoration designs, predict impacts of altered flow regimes, estimate nutrient and biomass fluxes, and provide standardized site comparisons to support effective monitoring of the developmental trajectories of restoration sites. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Coleman, Andre M.; Ward, Duane L.] Pacific NW Natl Lab, Earth Syst Sci Div, Hydrol Tech Grp, Richland, WA 99352 USA.
[Diefenderfer, Heida L.; Borde, Amy B.] Pacific NW Natl Lab, Coastal Sci Div, Marine Sci Lab, Sequim, WA 98382 USA.
RP Coleman, AM (reprint author), Pacific NW Natl Lab, Earth Syst Sci Div, Hydrol Tech Grp, POB 999,MSIN K9-33, Richland, WA 99352 USA.
EM Andre.Coleman@pnnl.gov
FU U.S. Army Corps of Engineers, Columbia River Fish Mitigation Program
[EST-02-P-04]
FX This research was partially supported by the U.S. Army Corps of
Engineers, Columbia River Fish Mitigation Program (study code
EST-02-P-04). The authors thank B. Ebberts, C. Studebaker, G. Johnson,
C. Roegner, and R. Thom for management and leadership of the study; the
Columbia Land Trust and the Port of Astoria for permission to conduct
research on their properties; N. Sather and S. McEwen for contributions
to the Columbia Stock Ranch case study; and the many others-particularly
R. Kaufmann and S. Zimmerman-who assisted with field data collection.
NR 85
TC 1
Z9 1
U1 10
U2 35
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0925-8574
EI 1872-6992
J9 ECOL ENG
JI Ecol. Eng.
PD SEP
PY 2015
VL 82
BP 624
EP 642
DI 10.1016/j.ecoleng.2015.05.006
PG 19
WC Ecology; Engineering, Environmental; Environmental Sciences
SC Environmental Sciences & Ecology; Engineering
GA CP9BQ
UT WOS:000360189100073
ER
PT J
AU Janarthanan, R
Serov, A
Pilli, SK
Gamarra, DA
Atanassov, P
Hibbs, MR
Herring, AM
AF Janarthanan, Rajeswari
Serov, Alexey
Pilli, Satyananda Kishore
Gamarra, Daniel A.
Atanassov, Plamen
Hibbs, Michael R.
Herring, Andrew M.
TI Direct Methanol Anion Exchange Membrane Fuel Cell with a Non-Platinum
Group Metal Cathode based on Iron-Aminoantipyrine Catalyst
SO ELECTROCHIMICA ACTA
LA English
DT Article; Proceedings Paper
CT 14th International Symposium on Polymer Electrolytes
CY AUG 24-29, 2014
CL Geelong, AUSTRALIA
DE Oxygen Reduction Reaction; Anion Exchange Membrane; Fuel Cell; Direct
Methanol Fuel Cell; non-Platinum Group Metal Catalyst
ID OXYGEN REDUCTION; ALKALINE MEDIA; PERFORMANCE; OXIDATION;
ELECTROCATALYSTS; IONOMERS; SYSTEMS; ANODE; INK
AB The objective of the current report is to compare the performance of poly(phenylene) based anion exchange membranes in an alkaline direct methanol fuel cell when platinum cathode catalysts are replaced with non-platinum cathode catalysts. In a KOH-free methanol fuel, we show that a less expensive non-Pt cathode catalyst (derived from Fe-Aminoantipyrine, Fe-AAPyr using Generations 1 and 2 sacrificial silica supports) provide better or comparable performance to commercial Pt cathode catalysts. The peak power density, current density and open circuit voltage of Fe-AAPyr-G-1 in 1 M methanol at 80 degrees C are 2.78 mW cm(-2), 19.1 mA cm(-2) and 0.7 V respectively. In a direct methanol fuel cell utilizing KOH in the fuel feed, the non-Pt catalyst shows promising peak power density of 52 mW cm(-2) with the Fe-AAPyr-G-2 cathode catalyst, comparable to a commercial Pt catalyst. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Janarthanan, Rajeswari; Pilli, Satyananda Kishore; Gamarra, Daniel A.; Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
[Serov, Alexey; Atanassov, Plamen] Univ New Mexico, Dept Chem & Biol Engn, Albuquerque, NM 87131 USA.
[Hibbs, Michael R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Herring, AM (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
EM aherring@mines.edu
OI Herring, Andrew/0000-0001-7318-5999
FU Laboratory Directed Research and Development (LDRD) program at Sandia
National Laboratories; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was supported by the Laboratory Directed Research and
Development (LDRD) program at Sandia National Laboratories. Sandia
National Laboratory is a multi-program laboratory operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Company, for
the U.S. Department of Energy's National Nuclear Security Administration
under contract DE-AC04-94AL85000.
NR 43
TC 7
Z9 7
U1 6
U2 29
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0013-4686
EI 1873-3859
J9 ELECTROCHIM ACTA
JI Electrochim. Acta
PD SEP 1
PY 2015
VL 175
BP 202
EP 208
DI 10.1016/j.electacta.2015.03.209
PG 7
WC Electrochemistry
SC Electrochemistry
GA CP8XP
UT WOS:000360178600026
ER
PT J
AU Jimenez-Delgado, P
AF Jimenez-Delgado, Pedro
TI Delineating the Polarized and Unpolarized Partonic Structure of the
Nucleon
SO FEW-BODY SYSTEMS
LA English
DT Article
ID DISTRIBUTIONS
AB Reports on our latest extractions of parton distribution functions of the nucleon are given. First an overview of the recent JR14 upgrade of our unpolarized PDFs, including NNLO determinations of the strong coupling constant and a discussion of the role of the input scale in parton distribution analysis. In the second part of the talk recent results on the determination of spin-dependent PDFs from the JAM collaboration are reported, including a careful treatment of hadronic and nuclear corrections, as well as reports on the impact of present and future data in our understanding of the spin of the nucleon.
C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
RP Jimenez-Delgado, P (reprint author), Thomas Jefferson Natl Accelerator Facil, 12000 Jefferson Ave,Suite 1, Newport News, VA 23606 USA.
EM pedro@jlab.org
FU DOE [DE-AC05-06OR23177]
FX I thank W. Melnitchouk and E. Reya for the fruitful collaborations which
have lead to this publication. This work was supported by the DOE
Contract No. DE-AC05-06OR23177, under which Jefferson Science
Associates, LLC operates Jefferson Lab.
NR 11
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD SEP
PY 2015
VL 56
IS 6-9
BP 281
EP 286
DI 10.1007/s00601-015-0953-4
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CQ2MV
UT WOS:000360435800007
ER
PT J
AU Metz, A
Pitonyak, D
Schafer, A
Schlegel, M
Vogelsang, W
Zhou, J
AF Metz, Andreas
Pitonyak, Daniel
Schaefer, Andreas
Schlegel, Marc
Vogelsang, Werner
Zhou, Jian
TI Transverse Single-Spin Asymmetries: Challenges and Recent Progress
SO FEW-BODY SYSTEMS
LA English
DT Article
ID DEEP-INELASTIC SCATTERING; QUANTUM CHROMODYNAMICS; FRAGMENTATION;
LEPTOPRODUCTION; POLARIZATION
AB Transverse single-spin asymmetries are among the most intriguing observables in hadronic physics. Though such asymmetries were already measured for the first time about four decades ago, their origin is still under debate. Here we consider transverse single-spin asymmetries in semi-inclusive lepton-nucleon scattering, in nucleon-nucleon scattering, and in inclusive lepton-nucleon scattering. It is argued that, according to recent work, the single-spin asymmetries for those three processes may be simultaneously described in perturbative QCD, where the re-scattering of the active partons plays a crucial role. A comparison of single-spin asymmetries in different reactions can also shed light on the universality of transverse momentum dependent parton correlation functions. In particular, we discuss what existing data may tell us about the predicted process dependence of the Sivers function.
C1 [Metz, Andreas] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Pitonyak, Daniel] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
[Schaefer, Andreas; Zhou, Jian] Univ Regensburg, Inst Theoret Phys, D-93053 Regensburg, Germany.
[Schlegel, Marc; Vogelsang, Werner] Univ Tubingen, Inst Theoret Phys, D-72076 Tubingen, Germany.
RP Metz, A (reprint author), Temple Univ, Dept Phys, 1925 12th St, Philadelphia, PA 19122 USA.
EM metza@temple.edu
FU National Science Foundation [PHY-1205942]; RIKEN BNL Research Center;
BMBF [OR 06RY9191]
FX This work has been supported by the National Science Foundation under
Grant No. PHY-1205942 (A.M.), the RIKEN BNL Research Center (D.P.), and
by the BMBF under Grant No. OR 06RY9191 (J.Z).
NR 42
TC 0
Z9 0
U1 4
U2 4
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD SEP
PY 2015
VL 56
IS 6-9
BP 331
EP 336
DI 10.1007/s00601-014-0929-9
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CQ2MV
UT WOS:000360435800014
ER
PT J
AU Kanazawa, K
Koike, Y
Metz, A
Pitonyak, D
AF Kanazawa, Koichi
Koike, Yuji
Metz, Andreas
Pitonyak, Daniel
TI New Collinear Twist-3 Analysis of Transverse SSA: Toward a Solution for
the Sign-Mismatch Problem
SO FEW-BODY SYSTEMS
LA English
DT Article
ID SPIN PRODUCTION ASYMMETRIES; HADRONIC PION-PRODUCTION; CHIRAL-ODD
CONTRIBUTION; QUANTUM CHROMODYNAMICS; HARD-SCATTERING; FRAGMENTATION;
DISTRIBUTIONS; COLLISIONS
AB We present a new collinear twist-3 analysis of the transverse SSA A (N) at RHIC. We use the TMD Sivers/Collins function to fix some of the relevant collinear twist-3 functions and perform a fit of the RHIC data with other parameterized twist-3 functions. This allows us to keep the consistency among descriptions in pp collision, SIDIS, and e (+) e (-) annihilation and thus could provide a unified description of the spin asymmetries in the low- and high-P (T) processes. By taking into account the twist-3 fragmentation contribution, we show for the first time this contribution could be the main source of A (N) in and its inclusion could provide a solution for the sign-mismatch problem.
C1 [Kanazawa, Koichi; Metz, Andreas] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Koike, Yuji] Niigata Univ, Dept Phys, Niigata 9502181, Japan.
[Pitonyak, Daniel] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA.
RP Kanazawa, K (reprint author), Temple Univ, Dept Phys, Barton Hall, Philadelphia, PA 19122 USA.
EM koichi.kanazawa@temple.edu
NR 44
TC 0
Z9 0
U1 3
U2 3
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD SEP
PY 2015
VL 56
IS 6-9
BP 343
EP 348
DI 10.1007/s00601-014-0913-4
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CQ2MV
UT WOS:000360435800016
ER
PT J
AU Salamu, Y
Ji, CR
Melnitchouk, W
Wang, P
AF Salamu, Y.
Ji, C. -R.
Melnitchouk, W.
Wang, P.
TI (d)over-bar - (u)over-bar Flavor Asymmetry in the Proton in Chiral
Effective Field Theory
SO FEW-BODY SYSTEMS
LA English
DT Article
ID DEEP-INELASTIC-SCATTERING; DRELL-YAN PROCESS; LIGHT-QUARK SEA; PARTON
DISTRIBUTIONS; SYMMETRY-BREAKING; PERTURBATION-THEORY; NUCLEON
AB The (d) over bar - (u) over bar flavor asymmetry in the proton arising from pion loops is computed using chiral effective field theory. The calculation includes both nucleon and Delta intermediate states, and uses both the fully relativistic and heavy baryon frameworks. The x dependence of extracted from the Fermilab E866 Drell-Yan data can be well reproduced in terms of a single transverse momentum cutoff parameter regulating the ultraviolet behavior of the loop integrals. In addition to the distribution at x > 0, corrections to the integrated asymmetry from zero momentum contributions are computed, which arise from pion rainbow and bubble diagrams at x = 0. These have not been accounted for in previous analyses, and can make important contributions to the lowest moment of (d) over bar - (u) over bar.
C1 [Salamu, Y.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China.
[Ji, C. -R.] N Carolina State Univ, Raleigh, NC 27692 USA.
[Melnitchouk, W.] Jefferson Lab, Newport News, VA 23606 USA.
[Wang, P.] Chinese Acad Sci, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China.
RP Melnitchouk, W (reprint author), Jefferson Lab, Newport News, VA 23606 USA.
EM wmelnitc@jlab.org
FU DOE [DE-AC05-06OR23177, DE-FG02-03ER41260]; NSFC [11261130311, CRC 110];
DFG [CRC 110]
FX We thank A. W. Thomas for helpful comments and discussions. This work
was supported by the DOE Contract No. DE-AC05-06OR23177, under which
Jefferson Science Associates, LLC operates Jefferson Lab, DOE Contract
No. DE-FG02-03ER41260, and by NSFC under Grant No. 11261130311 (CRC 110
by DFG and NSFC).
NR 33
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD SEP
PY 2015
VL 56
IS 6-9
BP 355
EP 362
DI 10.1007/s00601-015-0949-0
PG 8
WC Physics, Multidisciplinary
SC Physics
GA CQ2MV
UT WOS:000360435800018
ER
PT J
AU McKeown, RD
AF McKeown, R. D.
TI Jefferson Lab Science: Present and Future
SO FEW-BODY SYSTEMS
LA English
DT Article
AB The continuous electron beam accelerator facility and associated experimental equipment at Jefferson Lab comprise a unique facility for experimental nuclear physics. This facility is presently being upgraded, which will enable a new experimental program with substantial discovery potential to address important topics in nuclear, hadronic, and electroweak physics. Further in the future, it is envisioned that the Laboratory will evolve into an electron-ion colliding beam facility.
C1 [McKeown, R. D.] Jefferson Lab, Newport News, VA 23606 USA.
[McKeown, R. D.] Coll William & Mary, Dept Phys, Williamsburg, VA 23185 USA.
RP McKeown, RD (reprint author), Jefferson Lab, Newport News, VA 23606 USA.
EM bmck@jlab.org
FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics
[DE-AC05-06OR23177]
FX This material is based upon work supported by U.S. Department of Energy,
Office of Science, Office of Nuclear Physics under contract
DE-AC05-06OR23177.
NR 16
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD SEP
PY 2015
VL 56
IS 6-9
BP 413
EP 418
DI 10.1007/s00601-015-0946-3
PG 6
WC Physics, Multidisciplinary
SC Physics
GA CQ2MV
UT WOS:000360435800027
ER
PT J
AU Brodsky, SJ
de Teramond, GF
Deur, A
Dosch, HG
AF Brodsky, Stanley J.
de Teramond, Guy F.
Deur, Alexandre
Dosch, Hans Guenter
TI The Light-Front Schrodinger Equation and the Determination of the
Perturbative QCD Scale from Color Confinement: A First Approximation to
QCD
SO FEW-BODY SYSTEMS
LA English
DT Article
ID STRONG-COUPLING CONSTANT; QUANTUM CHROMODYNAMICS; CONFORMAL-INVARIANCE;
COMPOSITE SYSTEMS; MAGNETIC-MOMENTS; HOLOGRAPHIC QCD; FORM-FACTORS;
SUM-RULE; CONE; NUCLEON
AB The valence Fock-state wavefunctions of the light-front (LF) QCD Hamiltonian satisfy a relativistic equation of motion, analogous to the nonrelativistic radial Schrodinger equation, with an effective confining potential U which systematically incorporates the effects of higher quark and gluon Fock states. If one requires that the effective action which underlies the QCD Lagrangian remains conformally invariant and extends the formalism of de Alfaro, Fubini and Furlan to LF Hamiltonian theory, the potential U has a unique form of a harmonic oscillator potential, and a mass gap arises. The result is a nonperturbative relativistic LF quantum mechanical wave equation which incorporates color confinement and other essential spectroscopic and dynamical features of hadron physics, including a massless pion for zero quark mass and linear Regge trajectories with the same slope in the radial quantum number n and orbital angular momentum L. Only one mass parameter kappa appears. The corresponding LF Dirac equation provides a dynamical and spectroscopic model of nucleons. The same LF equations arise from the holographic mapping of the soft-wall model modification of AdS(5) space with a unique dilaton profile to QCD (3+1) at fixed LF time. LF holography thus provides a precise relation between the bound-state amplitudes in the fifth dimension of Anti-de Sitter (AdS) space and the boost-invariant LFWFs describing the internal structure of hadrons in physical space-time. We also show how the mass scale underlying confinement and the masses of light-quark hadrons determines the scale controlling the evolution of the perturbative QCD coupling. The relation between scales is obtained by matching the nonperturbative dynamics, as described by an effective conformal theory mapped to the LF and its embedding in AdS space, to the perturbative QCD regime computed to four-loop order. The data for the effective coupling defined from the Bjorken sum rule are remarkably consistent with the Gaussian form predicted by LF holographic QCD. The result is an effective coupling defined at all momenta. The predicted value GeV is in agreement with the world average GeV. We thus can connect to hadron masses. The analysis applies to any renormalization scheme.
C1 [Brodsky, Stanley J.] Stanford Univ, Stanford Linear Accelerator Ctr, Natl Accelerator Lab, Stanford, CA 94309 USA.
[de Teramond, Guy F.] Univ Costa Rica, San Jose, Costa Rica.
[Deur, Alexandre] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
[Dosch, Hans Guenter] Heidelberg Univ, Inst Theoret Phys, D-6900 Heidelberg, Germany.
RP Brodsky, SJ (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Natl Accelerator Lab, Stanford, CA 94309 USA.
EM sjbth@slac.stanford.edu
FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics
[DE-AC05-06OR23177]; U.S. Department of Energy [DE-AC02-76SF00515.
SLAC-PUB-16098]
FX Invited talk, presented by SJB at Theory and Experiment for Hadrons on
the Light-Front (Light Cone 2014) May 26 - 30, 2013, Raleigh, North
Carolina. We thank Professor Chueng-Ryong Ji for organizing this
outstanding meeting. This material is based in part upon work supported
by the U.S. Department of Energy, Office of Science, Office of Nuclear
Physics under contract DE-AC05-06OR23177 and the U.S. Department of
Energy contract DE-AC02-76SF00515. SLAC-PUB-16098.
NR 82
TC 6
Z9 6
U1 1
U2 1
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD SEP
PY 2015
VL 56
IS 6-9
BP 621
EP 632
DI 10.1007/s00601-015-0964-1
PG 12
WC Physics, Multidisciplinary
SC Physics
GA CQ2MV
UT WOS:000360435800057
ER
PT J
AU Kvon, EZ
AF Kvon, Evgeny Z.
TI Using transgenic reporter assays to functionally characterize enhancers
in animals
SO GENOMICS
LA English
DT Review
DE Enhancer; Cis-regulatory module; Transgenic reporter; Transposon;
Enhancer-trap; BAC transgenesis; Regulatory genomics
ID CIS-REGULATORY MODULES; LIVING DROSOPHILA EMBRYOS; TISSUE-SPECIFIC
ENHANCERS; SITE-SPECIFIC INTEGRATION; HUMAN GENOME; GENE-EXPRESSION;
IN-VIVO; TRANSCRIPTIONAL ENHANCERS; DEVELOPMENTAL ENHANCERS;
CAENORHABDITIS-ELEGANS
AB Enhancers or cis-regulatory modules play an instructive role in regulating gene expression during animal development and in response to the environment. Despite their importance, we only have an incomplete map of enhancers in the genome and our understanding of the mechanisms governing their function is still limited. Recent advances in genomics provided powerful tools to generate genome-wide maps of potential enhancers. However, most of these methods are based on indirect measures of enhancer activity and have to be followed by functional testing. Animal transgenesis has been a valuable method to functionally test and characterize enhancers in vivo. In this review I discuss how different transgenic strategies are utilized to characterize enhancers in model organisms focusing on studies in Drosophila and mouse. I will further discuss recent large-scale transgenic efforts to systematically identify and catalog enhancers as well as highlight the challenges and future directions in the field. (C) 2015 Elsevier Inc. All rights reserved.
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
RP Kvon, EZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA.
EM ekvon@lbl.gov
OI Kvon, Evgeny/0000-0002-1562-0945
FU Helen Hay Whitney Foundation; Department of Energy, University of
California [DE-AC02-05CH11231]
FX I thank A. Visel, C. Spurrell, M. Osterwalder, J.O. Yanez-Cuna, D.
Shlyueva, S. Mulenok and two anonymous reviewers for useful comments.
E.Z.K. is supported by postdoctoral fellowship from the Helen Hay
Whitney Foundation. Work at the E.O. Lawrence Berkeley National
Laboratory was conducted under Department of Energy contract
DE-AC02-05CH11231, University of California.
NR 139
TC 2
Z9 2
U1 5
U2 20
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0888-7543
EI 1089-8646
J9 GENOMICS
JI Genomics
PD SEP
PY 2015
VL 106
IS 3
BP 185
EP 192
DI 10.1016/j.ygeno.2015.06.007
PG 8
WC Biotechnology & Applied Microbiology; Genetics & Heredity
SC Biotechnology & Applied Microbiology; Genetics & Heredity
GA CQ2RD
UT WOS:000360447900009
PM 26072435
ER
PT J
AU Starrett, CE
AF Starrett, C. E.
TI A Green's function quantum average atom model
SO HIGH ENERGY DENSITY PHYSICS
LA English
DT Article
DE Average atom; Greens function; Warm dense matter; Dense plasmas; Density
functional theory
ID DENSE-PLASMAS; CELL MODEL; ELECTRONIC-STRUCTURE; APPROXIMATION;
PURGATORIO; HOT
AB A quantum average atom model is reformulated using Green's functions. This allows integrals along the real energy axis to be deformed into the complex plane. The advantage being that sharp features such as resonances and bound states are broadened by a Lorentzian with a half-width chosen for numerical convenience. An implementation of this method therefore avoids numerically challenging resonance tracking and the search for weakly bound states, without changing the physical content or results of the model. A straightforward implementation results in up to a factor of 5 speed-up relative to an optimized orbital based code. (C) 2015 Elsevier B.V. All rights reserved.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Starrett, CE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
FU United States Department of Energy [DE-AC52-06NA25396]; LDRD
[20150656ECR]
FX We are grateful to B. Wilson for useful discussions. This work was
performed under the auspices of the United States Department of Energy
under contract DE-AC52-06NA25396 and LDRD number 20150656ECR.
NR 32
TC 1
Z9 1
U1 3
U2 8
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1574-1818
EI 1878-0563
J9 HIGH ENERG DENS PHYS
JI High Energy Density Phys.
PD SEP
PY 2015
VL 16
BP 18
EP 22
DI 10.1016/j.hedp.2015.05.001
PG 5
WC Physics, Fluids & Plasmas
SC Physics
GA CP7US
UT WOS:000360094800003
ER
PT J
AU Kilcrease, DP
Colgan, J
Hakel, P
Fontes, CJ
Sherrill, ME
AF Kilcrease, D. P.
Colgan, J.
Hakel, P.
Fontes, C. J.
Sherrill, M. E.
TI An equation of state for partially ionized plasmas: The Coulomb
contribution to the free energy
SO HIGH ENERGY DENSITY PHYSICS
LA English
DT Article
DE Opacity; Equation of state
ID OPACITIES
AB We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using the method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. The corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Kilcrease, D. P.; Colgan, J.; Sherrill, M. E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Hakel, P.; Fontes, C. J.] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA.
RP Kilcrease, DP (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM dpk@lanl.gov
OI Hakel, Peter/0000-0002-7936-4231; Kilcrease, David/0000-0002-2319-5934
FU U.S. Department of Energy [DEAC52-06NA25396]
FX The Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC for the National Nuclear Security Administration of the
U.S. Department of Energy under Contract No. DEAC52-06NA25396.
NR 12
TC 3
Z9 3
U1 1
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1574-1818
EI 1878-0563
J9 HIGH ENERG DENS PHYS
JI High Energy Density Phys.
PD SEP
PY 2015
VL 16
BP 36
EP 40
DI 10.1016/j.hedp.2015.05.005
PG 5
WC Physics, Fluids & Plasmas
SC Physics
GA CP7US
UT WOS:000360094800007
ER
PT J
AU Fontes, CJ
Fryer, CL
Hungerford, AL
Hakel, P
Colgan, J
Kilcrease, DP
Sherrill, ME
AF Fontes, C. J.
Fryer, C. L.
Hungerford, A. L.
Hakel, P.
Colgan, J.
Kilcrease, D. P.
Sherrill, M. E.
TI Relativistic opacities for astrophysical applications
SO HIGH ENERGY DENSITY PHYSICS
LA English
DT Article
DE Relativistic atomic data; LTE opacities; Neutron star mergers
ID COMPACT OBJECT MERGERS; NEUTRON-STAR MERGERS; HIGHLY-CHARGED IONS;
R-PROCESS; FE-XVII; STELLAR ENVELOPES; ATOMIC-STRUCTURE; TRANSIENTS
AB We report on the use of the Los Alamos suite of relativistic atomic physics codes to generate radiative opacities for the modeling of astrophysically relevant plasmas under local thermodynamic equilibrium (LTE) conditions. The atomic structure calculations are carried out in fine-structure detail, including full configuration interaction. Three example applications are considered: iron opacities at conditions relevant to the base of the solar convection zone, nickel opacities for the modeling of stellar envelopes, and samarium opacities for the modeling of light curves produced by neutron star mergers. In the first two examples, comparisons are made between opacities that are generated with the fully and semi-relativistic capabilities in the Los Alamos suite of codes. As expected for these highly charged, iron-peak ions, the two methods produce reasonably similar results, providing confidence that the numerical methods have been correctly implemented. However, discrepancies greater than 10% are observed for nickel and investigated in detail. In the final application, the relativistic capability is used in a preliminary investigation of the complicated absorption spectrum associated with cold lanthanide elements. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Fontes, C. J.; Fryer, C. L.; Hungerford, A. L.; Hakel, P.; Colgan, J.; Kilcrease, D. P.; Sherrill, M. E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Fontes, CJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM cjf@lanl.gov
OI Hakel, Peter/0000-0002-7936-4231; Kilcrease, David/0000-0002-2319-5934
FU U.S. Department of Energy by Los Alamos National Laboratory
[DE-AC52-06NA25396]
FX This work was performed under the auspices of the U.S. Department of
Energy by Los Alamos National Laboratory under Contract No.
DE-AC52-06NA25396.
NR 29
TC 4
Z9 4
U1 2
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1574-1818
EI 1878-0563
J9 HIGH ENERG DENS PHYS
JI High Energy Density Phys.
PD SEP
PY 2015
VL 16
BP 53
EP 59
DI 10.1016/j.hedp.2015.06.002
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA CP7US
UT WOS:000360094800009
ER
PT J
AU Sun, XS
Asadpour, R
Nie, WY
Mohite, AD
Alam, MA
AF Sun, Xingshu
Asadpour, Reza
Nie, Wanyi
Mohite, Aditya D.
Alam, Muhammad Ashraful
TI A Physics-Based Analytical Model for Perovskite Solar Cells
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Analytical model; characterization; drift-diffusion; panel simulation
ID DEPENDENT PHOTOCURRENT COLLECTION; HALIDE PEROVSKITES; EFFICIENCY;
VOLTAGE; MODULES; PHOTOVOLTAICS; HYSTERESIS; SIMULATION; TRANSPORT;
ABSORBER
AB Perovskites are promising next-generation absorber materials for low-cost and high-efficiency solar cells. Although perovskite cells are configured similar to the classical solar cells, their operation is unique and requires development of a new physical model for characterization, optimization of the cells, and prediction of the panel performance. In this paper, we develop such a physics-based analytical model to describe the operation of different types of perovskite solar cells, explicitly accounting for nonuniform generation, carrier selective transport layers, and voltage-dependent carrier collection. The model would allow experimentalists to characterize key parameters of existing cells, understand performance bottlenecks, and predict performance of perovskite-based solar panel-the obvious next step to the evolution of perovskite solar cell technology.
C1 [Sun, Xingshu; Asadpour, Reza; Alam, Muhammad Ashraful] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA.
[Nie, Wanyi; Mohite, Aditya D.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Sun, XS (reprint author), Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA.
EM sunxingshu@gmail.com; rasadpou@purdue.edu; wanyi@lanl.gov;
amohite@lanl.gov; alam@purdue.edu
FU U.S. Department of Energy under DOE Cooperative Agreement
[DE-EE0004946]; National Science Foundation through the NCN-NEEDS
program [1227020-EEC]; Semiconductor Research Corporation
FX This work was supported by the U.S. Department of Energy under DOE
Cooperative Agreement DE-EE0004946 ("PVMI Bay Area PV Consortium"), the
National Science Foundation through the NCN-NEEDS program under Contract
1227020-EEC, and by the Semiconductor Research Corporation.
NR 40
TC 11
Z9 11
U1 5
U2 63
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD SEP
PY 2015
VL 5
IS 5
BP 1389
EP 1394
DI 10.1109/JPHOTOV.2015.2451000
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CQ2ND
UT WOS:000360436800017
ER
PT J
AU Abusnina, M
Matin, M
Moutinho, HR
Blackburn, JL
Alleman, J
DeHart, C
To, B
Al-Jassim, M
AF Abusnina, Mohamed
Matin, Mohammad
Moutinho, Helio R.
Blackburn, Jeffrey L.
Alleman, Jeffrey
DeHart, Clay
To, Bobby
Al-Jassim, Mowafak
TI Suppression of the Cu2-xS Secondary Phases in CZTS Films Through
Controlling the Film Elemental Composition
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Cu2ZnSnS4; CZTS; electron back-scattered diffraction (EBSD); Raman
scattering; sputtering; sulfurization; thin films
ID CU2ZNSNS4 THIN-FILMS; PULSED-LASER DEPOSITION; SOLAR-CELLS;
OPTICAL-PROPERTIES; METAL PRECURSORS; SULFURIZATION; FABRICATION
AB Kesterite Cu2ZnSnS4 (CZTS) thin films were grown by the sulfurization of stacked metal precursors deposited using radio-frequency magnetron sputtering on Mo-coated soda-lime glass substrates. In this paper, we report the role of the film chemical composition in the evolution of Cu2-xS phases and how to avoid their development through controlling the film composition. Furthermore, the effect of the elemental concentration on the structural and morphological properties of the final CZTS films has been investigated. The prepared CZTS films have a composition ratio M= Cu/(Zn + Sn) varying from 0.81 (Cu-poor) to 1.05 (Cu-rich). X-ray diffraction and Raman scattering studies revealed the presence of Cu2-x S phases in films with a Cu/(Zn + Sn) ratio higher than 1.00 and/or in films with a Sn/Cu ratio close to or less than the stoichiometric value of 0.50. However, Cu2-x S-phases-free CZTS films were achieved with Sn/Cu ratios sufficiently above 50% without regard to the Cu/(Zn + Sn) ratio. Plan and cross-sectional scanning electron microscopy showed compact films, in general. Electron back-scattered diffraction revealed randomly oriented CZTS films.
C1 [Abusnina, Mohamed; To, Bobby; Al-Jassim, Mowafak] Natl Renewable Energy Lab, Measurement & Characterizat Dept, Golden, CO 80401 USA.
[Matin, Mohammad] Univ Denver, Elect & Comp Engn Dept, Denver, CO 80208 USA.
[Moutinho, Helio R.; Blackburn, Jeffrey L.; Alleman, Jeffrey; DeHart, Clay] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Abusnina, M (reprint author), Natl Renewable Energy Lab, Measurement & Characterizat Dept, Golden, CO 80401 USA.
EM abusninam@yahoo.com; mohammad.matin@du.edu; helio.moutinho@nrel.gov;
jeffrey.blackburn@nrel.gov; jefferey.alleman@nrel.gov;
Clay.DeHart@nrel.gov; Bobby.To@nrel.gov; mowafak.algassim@nrel.gov
FU U.S. Department of Energy [DE-AC36-08GO28308]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08GO28308 to the National Renewable Energy Laboratory.
NR 27
TC 0
Z9 0
U1 3
U2 23
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD SEP
PY 2015
VL 5
IS 5
BP 1470
EP 1475
DI 10.1109/JPHOTOV.2015.2447834
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CQ2ND
UT WOS:000360436800028
ER
PT J
AU Lloyd, MA
Siah, SC
Brandt, RE
Serdy, J
Johnston, SW
Hofstetter, J
Lee, YS
McCandless, B
Buonassisi, T
AF Lloyd, Michael A.
Siah, Sin-Cheng
Brandt, Riley E.
Serdy, James
Johnston, Steve W.
Hofstetter, Jasmin
Lee, Yun Seog
McCandless, Brian
Buonassisi, Tonio
TI Two-Step Annealing Study of Cuprous Oxide for Photovoltaic Applications
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Annealing; charge carrier density; charge carrier mobility; copper
compounds; photoconductivity; photovoltaic cells; X-ray diffraction
ID SOLAR-CELLS; BUFFER LAYER; CU2O
AB The properties of large grain cuprous oxide (Cu2O) foils are explored after the implementation of a controlled post-growth annealing process. P-type foils with a wide range of carrier density are demonstrated, enabling a promising processing window for wide bandgap solar cell devices. Hall measurements at room temperature show increased majority carrier concentration after nitrogen annealing and a reduction in mobility. The progressive change in resistivity with annealing temperature is shown, with values approaching 100 Omega.cm. Carrier recombination, measured by microwave photoconductance decay, shows a discrete change upon annealing.
C1 [Lloyd, Michael A.; Siah, Sin-Cheng; Brandt, Riley E.; Serdy, James; Hofstetter, Jasmin; Lee, Yun Seog; Buonassisi, Tonio] MIT, Cambridge, MA 02139 USA.
[Johnston, Steve W.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[McCandless, Brian] Inst Energy Convers, Newark, DE 19711 USA.
RP Lloyd, MA (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM mlloyd@udel.edu; sincheng@alum.mit.edu; rbrandt@mit.edu; serdy@mit.edu;
steve.johnston@nrel.gov; jhofstet@mit.edu; leeys@mit.edu; bem@udel.edu;
buonas-sisi@mit.edu
FU National Research Foundation Singapore through Singapore Massachusetts
Institute of Technology (MIT) Alliance for Research and Technology's Low
Energy Electronic Systems research program; National Science Foundation
(NSF) [ECCS-1150878, DMR-0819762, ECS-0335765]; National Renewable
Energy Laboratory (NREL) [De-AC36-08-GO28308]; U.S. Department of Energy
[DE-AC36-08GO28308]; Government of India through Department of Science
and Technology; NSF Graduate Research Fellowship; NRF Singapore
FX This work was supported by the National Research Foundation Singapore
through the Singapore Massachusetts Institute of Technology (MIT)
Alliance for Research and Technology's Low Energy Electronic Systems
research program, the National Science Foundation (NSF) CAREER Award
ECCS-1150878, the National Renewable Energy Laboratory (NREL) as a part
of the Non-Proprietary Partnering Program under Contract
De-AC36-08-GO28308 with the U.S. Department of Energy, the US-India
Partnership to Advance Clean Energy-Research (PACE-R) for the Solar
Energy Research Institute for India and the United States funded jointly
by the U.S. Department of Energy under Subcontract DE-AC36-08GO28308 and
the Government of India, through the Department of Science and
Technology under Subcontract IUSSTF/JCERDC-SERIIUS/2012 dated 22nd Nov.
2012. This work made use of the Microsystems Technology Laboratories,
MIT, and the Center for Nanoscale Systems, Harvard University, supported
by National Science Foundation (NSF) Awards DMR-0819762 and ECS-0335765,
respectively. An NSF Graduate Research Fellowship (R.E.B.) and a Clean
Energy Scholarship from NRF Singapore (S.C.S.) are acknowledged.
NR 13
TC 1
Z9 1
U1 2
U2 22
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD SEP
PY 2015
VL 5
IS 5
BP 1476
EP 1481
DI 10.1109/JPHOTOV.2015.2455332
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CQ2ND
UT WOS:000360436800029
ER
PT J
AU Paudel, NR
Poplawsky, JD
Moore, KL
Yan, YF
AF Paudel, Naba R.
Poplawsky, Jonathan D.
Moore, Karren L.
Yan, Yanfa
TI Current Enhancement of CdTe-Based Solar Cells
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE CdSe; close-space sublimation (CSS); thin film; window layer
AB We report on the realization of CdTe solar cell photocurrent enhancement using an n-type CdSe heterojunction partner sputtered on commercial SnO2/SnO2:F coated soda-lime glass substrates. With high-temperature close-space sublimation CdTe deposition followed by CdCl2 activation, this thin-film stack allows for substantial interdiffusion at the CdSe/CdTe interface facilitating a CdSexTe1-x alloy formation. The bowing effect causes a reduced optical bandgap of the alloyed absorber layer and, therefore, leads to current enhancement in the long-wavelength region and a decrease in open-circuit voltage (V-OC). To overcome theV(OC) loss and maintain a high short-circuit current (J(SC)), the CdTe cell configuration has been modified using combined CdS: O/CdSe window layers. The new device structure has demonstrated enhanced collection from both short-and long-wavelength regions as well as a V-OC improvement. With an optimized synthesis process, a small-area cell using CdS: O/CdSe window layer showed an efficiency of 15.2% with a V-OC of 831 mV, a J(SC) of 26.3 mA/cm(2), and a fill factor of 69.5%, measured under an AM1.5 illumination without antireflection coating. The results provide new directions for further improvement of CdTe-based solar cells.
C1 [Paudel, Naba R.] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA.
[Paudel, Naba R.; Yan, Yanfa] Univ Toledo, Wright Ctr Photovolta Innovat & Commercializat, Toledo, OH 43606 USA.
[Poplawsky, Jonathan D.; Moore, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Paudel, NR (reprint author), Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA.
EM naba.paudel@utoledo.edu; poplawskyjd@ornl.gov; morekl1@ornl.gov;
yanfa.yan@utoledo.edu
RI Poplawsky, Jonathan/Q-2456-2015
OI Poplawsky, Jonathan/0000-0002-4272-7043
FU Department of Energy (DOE) F PACE program; ORNL's Center for Nanophase
Materials Sciences; U.S. Department of Energy [DE-AC05-00OR22725]
FX This work was supported in part by Department of Energy (DOE) F PACE
program and by ORNL's Center for Nanophase Materials Sciences, which is
a DOE Office of Science User Facility. This paper has been authored by
UT-Battelle, LLC under Contract DE-AC05-00OR22725 with the U.S.
Department of Energy. The United States Government retains and the
publisher, by accepting the article for publication, acknowledges that
the United States Government retains a nonexclusive, paid-up,
irrevocable, world-wide license to publish or reproduce the published
form of this paper, or allow others to do so, for United States
Government purposes. The Department of Energy will provide public access
to these results of federally sponsored research in accordance with the
DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 16
TC 4
Z9 4
U1 5
U2 47
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD SEP
PY 2015
VL 5
IS 5
BP 1492
EP 1496
DI 10.1109/JPHOTOV.2015.2458040
PG 5
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CQ2ND
UT WOS:000360436800032
ER
PT J
AU Overholt, P
Ortiz, D
Silverstein, A
AF Overholt, Phil
Ortiz, David
Silverstein, Alison
TI Synchrophasor Technology and the DOE
SO IEEE POWER & ENERGY MAGAZINE
LA English
DT Article
C1 [Overholt, Phil; Ortiz, David] US DOE, Washington, DC 20585 USA.
[Silverstein, Alison] North Amer SynchroPhasor Initiat, Pflugerville, TX USA.
RP Overholt, P (reprint author), US DOE, Washington, DC 20585 USA.
NR 1
TC 0
Z9 0
U1 1
U2 1
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1540-7977
EI 1558-4216
J9 IEEE POWER ENERGY M
JI IEEE Power Energy Mag.
PD SEP-OCT
PY 2015
VL 13
IS 5
BP 14
EP 17
DI 10.1109/MPE.2015.2431211
PG 4
WC Engineering, Electrical & Electronic
SC Engineering
GA CP7NM
UT WOS:000360074900002
ER
PT J
AU Fahimi, B
Mohammed, O
Toliyat, H
Kirtley, J
Pekarek, S
Parsa, L
Hameyer, K
Sarikhani, A
Muljadi, E
Hendershot, J
AF Fahimi, Babak
Mohammed, Osama
Toliyat, Hamid
Kirtley, James
Pekarek, Steven
Parsa, Leila
Hameyer, Kay
Sarikhani, Ali
Muljadi, Eduard
Hendershot, Jim
TI Guest Editorial Optimal Design of Electric Machines
SO IEEE TRANSACTIONS ON ENERGY CONVERSION
LA English
DT Editorial Material
C1 [Fahimi, Babak] Univ Texas Dallas, Richardson, TX 75080 USA.
[Mohammed, Osama] Florida Int Univ, Miami, FL 33199 USA.
[Toliyat, Hamid] Texas A&M Univ, College Stn, TX 77843 USA.
[Kirtley, James] MIT, Cambridge, MA 02139 USA.
[Pekarek, Steven] Purdue Univ, W Lafayette, IN 47907 USA.
[Parsa, Leila] Rensselaer Polytech Inst, Troy, NY 12180 USA.
[Hameyer, Kay] Rhein Westfal TH Aachen, D-52062 Aachen, Germany.
[Sarikhani, Ali] Whirlpool Corp, Benton Harbor, MI 49022 USA.
[Muljadi, Eduard] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Hendershot, Jim] Motorsolver LLC, Crestwood, KY 40014 USA.
RP Fahimi, B (reprint author), Univ Texas Dallas, Richardson, TX 75080 USA.
EM fahimi@utdallas.edu
RI Mohammed, Osama/L-7113-2015
OI Mohammed, Osama/0000-0002-2586-4046
NR 0
TC 1
Z9 1
U1 0
U2 2
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8969
EI 1558-0059
J9 IEEE T ENERGY CONVER
JI IEEE Trans. Energy Convers.
PD SEP
PY 2015
VL 30
IS 3
BP 1143
EP 1143
DI 10.1109/TEC.2015.2458232
PG 1
WC Energy & Fuels; Engineering, Electrical & Electronic
SC Energy & Fuels; Engineering
GA CQ2NZ
UT WOS:000360439300037
ER
PT J
AU Powell, JD
Hutchison, JR
Hess, BM
Straub, TM
AF Powell, J. D.
Hutchison, J. R.
Hess, B. M.
Straub, T. M.
TI Bacillus anthracis spores germinate extracellularly at air-liquid
interface in an invitro lung model under serum-free conditions
SO JOURNAL OF APPLIED MICROBIOLOGY
LA English
DT Article
DE anthrax; Bacillus anthracis; germination; lung epithelial; spore; Sterne
ID EPITHELIAL-CELLS; INHALATIONAL ANTHRAX; MAMMALIAN-CELLS; DISSEMINATION;
GLUTAMINE; GROWTH; RESISTANCE; ENTRY; HOST; ACID
AB AimsTo better understand the parameters that govern spore dissemination after lung exposure using invitro cell systems.
Methods and ResultsWe evaluated the kinetics of uptake, germination and proliferation of Bacillus anthracis Sterne spores in association with human primary lung epithelial cells, Calu-3 and A549 cell lines. We also analysed the influence of various cell culture medium formulations related to spore germination.
ConclusionsWe found negligible spore uptake by epithelial cells, but germination and proliferation of spores in the serum-free extracellular environment was evident. Spore germination was appreciably higher in immortalized cell cultures than in primary epithelial cells. Additionally, spores still germinated apically at a mucus-secreting air-liquid interface lung barrier that was devoid of cell culture medium much earlier than medium-only controls.
Significance and Impact of the StudyThe role of lung epithelial cells in B.anthracis spore dissemination after inhalation remains poorly defined and rather controversial. These results are novel as they show spore germination is appreciably enhanced in the presence of lung cells invitro, however, the cell line and cell state (air-liquid interface vs submerged in medium) dictates the extent of germination and in some cases proliferation.
C1 [Powell, J. D.; Hutchison, J. R.; Hess, B. M.; Straub, T. M.] Pacific NW Natl Lab, Chem & Biol Signature Sci Grp, Richland, WA 99352 USA.
RP Powell, JD (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-50, Richland, WA 99352 USA.
EM joshua.powell@pnnl.gov
FU Department of Energy's Office of Biological and Environmental Research
[48446]; Department of Homeland Security, Science and Technology
Directorate [HSHQPM-14-X-00037]; United States Department of Energy
[DE-AC06-76RLO]
FX Part of the research was performed using the Environmental Molecular
Science Laboratory (EMSL), a national scientific user facility sponsored
by the Department of Energy's Office of Biological and Environmental
Research and located at Pacific Northwest National Laboratory under EMSL
user proposal 48446. The Department of Homeland Security, Science and
Technology Directorate provided funding for this research through
contract HSHQPM-14-X-00037 to Pacific Northwest National Laboratory.
Pacific Northwest National Laboratory is operated by Battelle Memorial
Institute for the United States Department of Energy under contract
DE-AC06-76RLO.
NR 34
TC 1
Z9 1
U1 0
U2 12
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1364-5072
EI 1365-2672
J9 J APPL MICROBIOL
JI J. Appl. Microbiol.
PD SEP
PY 2015
VL 119
IS 3
BP 711
EP 723
DI 10.1111/jam.12872
PG 13
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA CP9RA
UT WOS:000360231000010
PM 26075586
ER
PT J
AU Hossain, A
Bolotnikov, AE
Camarda, GS
Cui, Y
Gul, R
Kim, KH
Roy, UN
Tong, X
Yang, G
James, RB
AF Hossain, A.
Bolotnikov, A. E.
Camarda, G. S.
Cui, Y.
Gul, R.
Kim, K. -H.
Roy, U. N.
Tong, X.
Yang, G.
James, R. B.
TI Analysis of Defects on Chemically-Treated CdZnTe Surfaces
SO JOURNAL OF ELECTRONIC MATERIALS
LA English
DT Article; Proceedings Paper
CT US Workshop on the Physics and Chemistry of II-VI Materials
CY OCT 20-23, 2014
CL Baltimore, MD
SP US Army RDECOM CERDEC Night Vision & Elect Sensors Directorate, US Army Res Lab, US Army SMDC, Penn State Univ, US Navy Electro-Opt Ctr, Off Naval Res, AF Res Lab, Army Res Off, Minerals, Metal & Mat Soc
DE CdZnTe; substrate and radiation detector; dislocations; chemo-mechanical
polishing; metal-semiconductor interface
ID RADIATION DETECTORS; CRYSTAL-GROWTH; PERFORMANCE
AB In this work, we focused on investigating the various defects that extend into the near-surface region of CdZnTe (CZT) crystals, and on exploring processing techniques for producing a smooth, non-conductive surface that is ideal for growing thin films and depositing contacts. We determined the surface's features and the chemical species present using atomic-force microscopy, x-ray photoelectron spectroscopy, and scanning electron microscopy (SEM), coupled with energy-dispersive spectroscopy. We revealed crystallographic defects, e.g., sub-grains and dislocations on the CZT crystals' surfaces, after employing selected chemical etchants, and then characterized them using optical microscopy, SEM and optical profilometer. Our experimental data imply that the surface defects and chemical species induced by chemical processing may alter the material's interfacial behavior, and ultimately significantly influence the performance of radiation detectors.
C1 [Hossain, A.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Gul, R.; Roy, U. N.; Tong, X.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Kim, K. -H.] Korea Univ, Dept Radiol Sci, Seoul 136703, South Korea.
RP Hossain, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM hossain@bnl.gov
NR 9
TC 0
Z9 0
U1 2
U2 24
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0361-5235
EI 1543-186X
J9 J ELECTRON MATER
JI J. Electron. Mater.
PD SEP
PY 2015
VL 44
IS 9
BP 3018
EP 3022
DI 10.1007/s11664-015-3742-4
PG 5
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CQ0TX
UT WOS:000360311300010
ER
PT J
AU Egarievwe, SU
Hossain, A
Okwechime, IO
Gul, R
James, RB
AF Egarievwe, Stephen U.
Hossain, Anwar
Okwechime, Ifechukwude O.
Gul, Rubi
James, Ralph B.
TI Effects of Chemomechanical Polishing on CdZnTe X-ray and Gamma-Ray
Detectors
SO JOURNAL OF ELECTRONIC MATERIALS
LA English
DT Article; Proceedings Paper
CT US Workshop on the Physics and Chemistry of II-VI Materials
CY OCT 20-23, 2014
CL Baltimore, MD
SP US Army RDECOM CERDEC Night Vision & Elect Sensors Directorate, US Army Res Lab, US Army SMDC, Penn State Univ, US Navy Electro-Opt Ctr, Off Naval Res, AF Res Lab, Army Res Off, Minerals, Metal & Mat Soc
DE CdZnTe; chemomechanical polishing; leakage current; spectral response;
x-ray photoelectron spectroscopy
ID CADMIUM ZINC TELLURIDE; RADIATION DETECTORS; CDTE; PERFORMANCE;
PASSIVATION
AB Mechanically polishing cadmium zinc telluride (CdZnTe) wafers for x-ray and gamma-ray detectors often is inadequate in removing surface defects caused by cutting them from the ingots. Fabrication-induced defects, such as surface roughness, dangling bonds, and nonstoichiometric surfaces, often are reduced through polishing and etching the surface. In our earlier studies of mechanical polishing with alumina powder, etching with hydrogen bromide in hydrogen peroxide solution, and chemomechanical polishing with bromine-methanol-ethylene glycol solution, we found that the chemomechanical polishing process produced the least surface leakage current. In this research, we focused on using two chemicals to chemomechanically polish CdZnTe wafers after mechanical polishing, viz. bromine-methanol-ethylene glycol (BME) solution, and hydrogen bromide (HBr) in a hydrogen peroxide and ethylene-glycol solution. We used x-ray photoelectron spectroscopy (XPS), current-voltage (I-V) measurements, and Am-241 spectral response measurements to characterize and compare the effects of each solution. The results show that the HBr-based solution produced lower leakage current than the BME solution. Results from using the same chemomechanical polishing solution on two samples confirmed that the surface treatment affects the measured bulk current (a combination of bulk and surface currents). XPS results indicate that the tellurium oxide to tellurium peak ratios for the mechanical polishing process were reduced significantly by chemomechanical polishing using the BME solution (78.9% for Te 3d O-5/2(2) and 76.7% for Te 3d O-3/2(2)) compared with the HBr-based solution (27.6% for Te 3d O-5/2(2) and 35.8% for Te 3d O-3/2(2)). Spectral response measurements showed that the 59.5-keV peak of Am-241 remained under the same channel number for all three CdZnTe samples. While the BME-based solution gave a better performance of 7.15% full-width at half-maximum (FWHM) compared with 7.59% FWHM for the HBr-based solution, the latter showed a smaller variation in performance of 0.39% FWHM over 7 days compared with 0.69% for the BME-based solution.
C1 [Egarievwe, Stephen U.; Okwechime, Ifechukwude O.; Gul, Rubi] Alabama A&M Univ, Nucl Engn & Radiol Sci Ctr, Normal, AL 35762 USA.
[Egarievwe, Stephen U.; Hossain, Anwar; Gul, Rubi; James, Ralph B.] Brookhaven Natl Lab, Dept Nonproliferat & Natl Secur, Upton, NY 11973 USA.
RP Egarievwe, SU (reprint author), Alabama A&M Univ, Nucl Engn & Radiol Sci Ctr, Normal, AL 35762 USA.
EM stephen.egarievwe@aamu.edu
FU US Department of Homeland Security, Domestic Nuclear Detection Office,
under contract/IAA [2012-DN-077-ARI065-03]; US Nuclear Regulatory
Commission [NRC-27-10-514]; US Department of Energy Office of Defense
Nuclear Nonproliferation RD
FX This work has been supported by the US Department of Homeland Security,
Domestic Nuclear Detection Office, under competitively awarded
contract/IAA award number 2012-DN-077-ARI065-03. Alabama A&M University
researchers were also supported by the US Nuclear Regulatory Commission
through award number NRC-27-10-514, and BNL scientists received support
from the US Department of Energy Office of Defense Nuclear
Nonproliferation R&D. These supports do not constitute an expressed or
implied endorsement by the US Government.
NR 19
TC 2
Z9 2
U1 2
U2 22
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0361-5235
EI 1543-186X
J9 J ELECTRON MATER
JI J. Electron. Mater.
PD SEP
PY 2015
VL 44
IS 9
BP 3194
EP 3201
DI 10.1007/s11664-015-3881-7
PG 8
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CQ0TX
UT WOS:000360311300034
ER
PT J
AU Farrell, S
Barnes, T
Metzger, WK
Park, JH
Kodama, R
Sivananthan, S
AF Farrell, S.
Barnes, T.
Metzger, W. K.
Park, J. H.
Kodama, R.
Sivananthan, S.
TI In Situ Arsenic Doping of CdTe/Si by Molecular Beam Epitaxy
SO JOURNAL OF ELECTRONIC MATERIALS
LA English
DT Article; Proceedings Paper
CT US Workshop on the Physics and Chemistry of II-VI Materials
CY OCT 20-23, 2014
CL Baltimore, MD
SP US Army RDECOM CERDEC Night Vision & Elect Sensors Directorate, US Army Res Lab, US Army SMDC, Penn State Univ, US Navy Electro-Opt Ctr, Off Naval Res, AF Res Lab, Army Res Off, Minerals, Metal & Mat Soc
DE Molecular beam epitaxy; CdTe; arsenic doping; SIMS; photovoltaics; II-VI
AB p-Type doping of the absorbed layer has been a significant challenge for CdTe solar cells. In this work, we report on in situ arsenic doping of molecular beam epitaxy (MBE) CdTe grown on Si(211) and the use of a cadmium overpressure to enhance incorporation. When growing CdTe:As without a Cd overpressure, extremely high As fluxes are required to achieve noticeable amounts of arsenic incorporation. By supplying a Cd flux during growth, the As incorporation increases by an order of magnitude. By including a Cd overpressure during growth, we have obtained single-crystal CdTe:As films with As incorporation concentration of . An activation anneal was performed on these films in a rapid thermal annealing furnace, resulting in p-type layers with net carrier concentration of similar to 5 x 10(16) cm(-3).
C1 [Farrell, S.; Barnes, T.; Metzger, W. K.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Park, J. H.; Kodama, R.; Sivananthan, S.] EPIR Technol Inc, Bolingbrook, IL 60440 USA.
RP Farrell, S (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM stuart.farrell@nrel.gov
FU US Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy
Laboratory
FX The work was support by the US Department of Energy under Contract No.
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. SIMS
measurements were provide by Dr. A. Wang at Evans Analytical Group.
NR 7
TC 1
Z9 1
U1 0
U2 11
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0361-5235
EI 1543-186X
J9 J ELECTRON MATER
JI J. Electron. Mater.
PD SEP
PY 2015
VL 44
IS 9
BP 3202
EP 3206
DI 10.1007/s11664-015-3913-3
PG 5
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CQ0TX
UT WOS:000360311300035
ER
PT J
AU Duff, MC
Washington, AL
Teague, LC
Wright, JS
Burger, A
Groza, M
Buliga, V
AF Duff, Martine C.
Washington, Aaron L.
Teague, Lucile C.
Wright, Jonathan S.
Burger, Arnold
Groza, Michael
Buliga, Vladimir
TI Use of Sub-bandgap Illumination to Improve Radiation Detector Resolution
of CdZnTe
SO JOURNAL OF ELECTRONIC MATERIALS
LA English
DT Article; Proceedings Paper
CT US Workshop on the Physics and Chemistry of II-VI Materials
CY OCT 20-23, 2014
CL Baltimore, MD
SP US Army RDECOM CERDEC Night Vision & Elect Sensors Directorate, US Army Res Lab, US Army SMDC, Penn State Univ, US Navy Electro-Opt Ctr, Off Naval Res, AF Res Lab, Army Res Off, Minerals, Metal & Mat Soc
DE Electrooptic effect; charge collection; secondary phases
ID CADMIUM-ZINC-TELLURIDE; GAMMA-RAY DETECTORS; ELECTRIC-FIELD;
PERFORMANCE; CDTE
AB The performance of Cd1-x Zn (x) Te (CZT) materials for room-temperature gamma/x-ray radiation detection continues to improve in terms of material quality and detector design. In our prior publications, we investigated the use of multiple wavelengths of light (in the visible and infrared) to target charge carriers at various trap energies and physical positions throughout crystals. Light exposure significantly alters the charge mobility and improves carrier collection at the anode contact. This study presents an investigation of material performance as a radiation detector during such illumination. The decrease in charge trapping and increase in charge collection due to a higher probability of free electron release from traps contributed to an increase in the resolution-based performance of the detector through controlled illumination. We investigated the performance improvement of CZT crystals with previously known levels of intrinsic defects and secondary phases, at various voltages, light-emitting diode (LED) light wavelengths, and shaping times. Although our setup was clearly not optimized for radiation detector performance, it demonstrated substantial resolution improvements (based on full-width at half-maximum using 662-keV gamma rays from Cs-137 upon illumination with 950-nm light) of 16% to 38% in comparison with unilluminated CZT under similar conditions. This manuscript includes discussion of the electrooptic behavior and its effect on performance. Additional testing and fabrication of a detector that incorporates such LED light optimization could lead to improved performance with existing detector-grade materials.
C1 [Duff, Martine C.; Washington, Aaron L.; Teague, Lucile C.; Wright, Jonathan S.] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Burger, Arnold; Groza, Michael; Buliga, Vladimir] Fisk Univ, Nashville, TN 37208 USA.
RP Duff, MC (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
EM martine.duff@srnl.doe.gov
FU US Dept. of Energy (DOE) [DE-AC09-08SR22470]; USDOE-National Nuclear
Security Administration through Office of Defense Nuclear
Nonproliferation Research and Development-NA-22 [DE-FG52-05NA27035];
National Science Foundation through Fisk University Center for Physics
and Chemistry of Materials (CPCoM); CREST Program [CA: HRD-0420516]
FX This project was conducted in conjunction with work accomplished under
Contract No. DE-AC09-08SR22470 with the US Dept. of Energy (DOE). This
work was supported by the USDOE-National Nuclear Security Administration
through the Office of Defense Nuclear Nonproliferation Research and
Development-NA-22 (Grant No. DE-FG52-05NA27035) and the National Science
Foundation through the Fisk University Center for Physics and Chemistry
of Materials (CPCoM), Cooperative Agreement CA: HRD-0420516 (CREST
Program). We thank Redlen Technologies for supplying the crystals for
our studies.
NR 33
TC 0
Z9 0
U1 1
U2 12
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0361-5235
EI 1543-186X
J9 J ELECTRON MATER
JI J. Electron. Mater.
PD SEP
PY 2015
VL 44
IS 9
BP 3207
EP 3213
DI 10.1007/s11664-015-3926-y
PG 7
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA CQ0TX
UT WOS:000360311300036
ER
PT J
AU VanZwieten, J
McAnally, W
Ahmad, J
Davis, T
Martin, J
Bevelhimer, M
Cribbs, A
Lippert, R
Hudon, T
Trudeau, M
AF VanZwieten, James
McAnally, William
Ahmad, Jameel
Davis, Trey
Martin, James
Bevelhimer, Mark
Cribbs, Allison
Lippert, Renee
Hudon, Thomas
Trudeau, Matthew
TI In-Stream Hydrokinetic Power: Review and Appraisal
SO JOURNAL OF ENERGY ENGINEERING
LA English
DT Article
DE Hydropower; Hydrokinetic; Streams; Tidal power; River power; Ocean
current energy; Marine renewable energy; In-stream hydro
ID COORDINATE OCEAN MODEL; ENERGY; CAVITATION; RESOURCE; TURBINES;
CURRENTS; SYSTEM; HYCOM
AB The objective of this paper is to provide a review of in-stream hydrokinetic power, which is defined as electric power generated by devices capturing the energy of naturally flowing water-stream, tidal, or open ocean flows-without impounding the water. North America has significant in-stream energy resources, and hydrokinetic electric power technologies to harness those resources have the potential to make a significant contribution to U.S. electricity needs by adding as much as 120 TWh/year from rivers alone to the present hydroelectric power generation capacity. Additionally, tidal and ocean current resources in the U.S. respectively contain 438 TWh/year and 163 TWh/year of extractable power. Among their attractive features, in-stream hydrokinetic operations do not contribute to greenhouse gas emissions or other air pollution and have less visual impact than wind turbines. Since these systems do no utilize dams the way traditional hydropower systems typically do, their impact on the environment will differ, and a small but growing number of studies support conclusions regarding those impacts. Potential environmental impacts include altered water quality, altered sediment deposition, altered habitats, direct impact on biota, and navigability of waterways. (C) 2014 American Society of Civil Engineers.
C1 [VanZwieten, James] Florida Atlantic Univ, Southeast Natl Marine Renewable Energy Ctr, Boca Raton, FL 33431 USA.
[McAnally, William] Mississippi State Univ, Geosyst Res Inst, Engn, Mississippi State, MS 39762 USA.
[Ahmad, Jameel] Cooper Union Coll, Dept Civil Engn, New York, NY 10003 USA.
[Ahmad, Jameel] Cooper Union Coll, George Fox Chair Urban Infrastruct, New York, NY 10003 USA.
[Davis, Trey] Wavelink Inc, Huntsville, AL 35806 USA.
[Davis, Trey] US Army, Engineer Res & Dev Ctr, Vicksburg, MS 39180 USA.
[Martin, James] Mississippi State Univ, Dept Civil & Environm Engn, Mississippi State, MS 39762 USA.
[Bevelhimer, Mark] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Cribbs, Allison] Ecomerit Technol, Santa Barbara, CA 93101 USA.
[Lippert, Renee] Florida Atlantic Univ, Dept Ocean & Mech Engn, Dania, FL 33004 USA.
[Hudon, Thomas] PCCI Inc, Alexandria, VA 22314 USA.
[Trudeau, Matthew] Boeing Co, Seattle, WA 98124 USA.
RP VanZwieten, J (reprint author), Florida Atlantic Univ, Southeast Natl Marine Renewable Energy Ctr, 777 Glades Rd, Boca Raton, FL 33431 USA.
EM jvanzwi@fau.edu; mcanally@ngi.msstate.edu; ahmad@cooper.edu;
trey.e.davis@us.army.mil; jmartin@cee.msstate.edu;
bevelhimerms@ornl.gov; acribbs@ecomerittech.com;
renee.lippert@gmail.com; thudon@pccii.com; mgtrudeau@gmail.com
NR 66
TC 1
Z9 1
U1 4
U2 52
PU ASCE-AMER SOC CIVIL ENGINEERS
PI RESTON
PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA
SN 0733-9402
EI 1943-7897
J9 J ENERG ENG
JI J. Energy Eng.-ASCE
PD SEP
PY 2015
VL 141
IS 3
AR 04014024
DI 10.1061/(ASCE)EY.1943-7897.0000197
PG 16
WC Energy & Fuels; Engineering, Civil
SC Energy & Fuels; Engineering
GA CP5SY
UT WOS:000359945900016
ER
PT J
AU Zhan, PP
Wang, YL
Zhao, SH
Liu, CY
Wang, YS
Wen, MX
Mao, JH
Wei, GW
Zhang, PJ
AF Zhan, Panpan
Wang, Yuli
Zhao, Shihu
Liu, Chunyan
Wang, Yunshan
Wen, Mingxin
Mao, Jian-Hua
Wei, Guangwei
Zhang, Pengju
TI FBXW7 negatively regulates ENO1 expression and function in colorectal
cancer
SO LABORATORY INVESTIGATION
LA English
DT Article
ID HAPLOINSUFFICIENT TUMOR-SUPPRESSOR; PROTEOMICS-BASED IDENTIFICATION;
ALPHA-ENOLASE; HEPATOCELLULAR-CARCINOMA; QUANTITATIVE PROTEOMICS;
THYROID-CARCINOMA; UBIQUITIN LIGASE; GASTRIC-CANCER; LUNG-CANCER;
TARGETS
AB FBXW7 (F-box and WD40 domain protein 7) is a tumor suppressor frequently inactivated in human cancers. The precise molecular mechanisms by which FBXW7 exerts antitumor activity remain under intensive investigation and are thought to relate in part to FBXW7-mediated destruction of key cancer-relevant proteins. Enolase 1 (ENO1) possesses oncogenic activity and is often overexpressed in various human cancers, besides its critical role in glycolysis. However, the detailed regulatory mechanisms of ENO1 expression remain unclear. Here we show that the elevated expression of ENO1 was identified in FBXW7-depletion HCT116 cells through two-dimensional protein electrophoresis and mass spectrometry assays (2DE-MS). Subsequent western blotting and immunohistochemical assays confirmed that ENO1 expression reversely correlates with FBXW7 expression in several cells and colon cancer tissues. Furthermore, we show that FBXW7 physically binds to ENO1 and targets ENO1 for ubiquitin-mediated degradation. Functionally, we found that FBXW7 suppresses the ENO1-induced gene expression, lactate production, cell proliferation and migration. These findings suggest that ENO1 is a novel substrate of FBXW7, and its activity can be negatively regulated by FBXW7 at the posttranslational level. Our work provides a novel molecular insight into FBXW7-directed tumor suppression through regulation of ENO1.
C1 [Zhan, Panpan; Zhao, Shihu; Liu, Chunyan; Mao, Jian-Hua; Zhang, Pengju] Shandong Univ, Sch Med, Dept Biochem & Mol Biol, Jinan 250012, Shandong, Peoples R China.
[Wang, Yuli; Wang, Yunshan; Wen, Mingxin; Wei, Guangwei] Shandong Univ, Sch Med, Dept Anat, Jinan 250012, Shandong, Peoples R China.
[Wang, Yuli; Wang, Yunshan; Wen, Mingxin; Wei, Guangwei] Shandong Univ, Sch Med, Key Lab Expt Teratol, Minist Educ, Jinan 250012, Shandong, Peoples R China.
[Mao, Jian-Hua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Life Sci Div, Berkeley, CA 94720 USA.
RP Zhang, PJ (reprint author), Shandong Univ, Sch Med, Dept Biochem & Mol Biol, 44 Wenhua Xi Rd, Jinan 250012, Shandong, Peoples R China.
EM zhpj@sdu.edu.cn
FU National Natural Science Foundation of China [81172528, 31271461,
81472583, 81402193, 81470127]; Taishan Scholar Program of Shandong
Province; National Institutes of Health, National Cancer Institute [R01
CA116481]; Low Dose Scientific Focus Area, Office of Biological and
Environmental Research, US Department of Energy [DE-AC02-05CH11231];
China Postdoctoral Science Foundation [2011M501136, 2012T50616]
FX We thank B Vogelstein for providing us with the HCT116
FBXW7-/- and DLD-1 FBXW7-/- cell lines. This work
was supported by the National Natural Science Foundation of China Nos.
81172528, 31271461 and 81472583 and the Taishan Scholar Program of
Shandong Province (to GW); by the National Institutes of Health,
National Cancer Institute Grant R01 CA116481, and the Low Dose
Scientific Focus Area, Office of Biological and Environmental Research,
US Department of Energy (DE-AC02-05CH11231) (to JHM); by National
Natural Science Foundation of China No. 81402193 (to WYS); and by the
National Natural Science Foundation of China No. 81470127 and China
Postdoctoral Science Foundation Funded Project Nos. 2011M501136 and
2012T50616 (to ZPJ).
NR 39
TC 7
Z9 8
U1 0
U2 5
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 0023-6837
EI 1530-0307
J9 LAB INVEST
JI Lab. Invest.
PD SEP
PY 2015
VL 95
IS 9
BP 995
EP 1004
DI 10.1038/labinvest.2015.71
PG 10
WC Medicine, Research & Experimental; Pathology
SC Research & Experimental Medicine; Pathology
GA CQ2AY
UT WOS:000360402900003
PM 26097998
ER
PT J
AU Merrill, FE
AF Merrill, F. E.
TI Imaging with penetrating radiation for the study of small dynamic
physical processes
SO LASER AND PARTICLE BEAMS
LA English
DT Article
DE Charged particle radiography; Electron radiography; Neutron imaging;
Neutron radiography; Proton radiography
ID PROTON RADIOGRAPHY
AB Since Roentgen's discovery of X rays in the late 1800s the use of penetrating radiation to form images has become a part of our everyday life as well as providing a useful tool for the scientific study of processes that have been previously impossible to measure. This can include the study of processes that are too deeply embedded in opaque materials for direct observation, or that occur on a length or time scale smaller than otherwise can be easily measured. As technologies to generate penetrating radiation and quickly collect images have matured, new techniques have emerged to measure processes that have been hidden for many years. One example is advances in flash radiography using charged particles as radiographic probes, including proton radiography and electron radiography. Recently the successful commissioning of proton microscope systems has provided remarkable improvements in spatial resolution. These techniques are being implemented for applications with electron radiography. With the evolution of these new techniques comes the opportunity to choose the probe that provides the maximum information for the desired measurement. This paper describes these new imaging techniques, predicts the capabilities of high-energy electron radiography, and provides a guide for identifying the optimal probe for a wide range of measurements.
C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
RP Merrill, FE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM fmerrill@lanl.gov
NR 17
TC 1
Z9 1
U1 0
U2 2
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0263-0346
EI 1469-803X
J9 LASER PART BEAMS
JI Laser Part. Beams
PD SEP
PY 2015
VL 33
IS 3
BP 425
EP 431
DI 10.1017/S0263034615000282
PG 7
WC Physics, Applied
SC Physics
GA CQ2QM
UT WOS:000360446200009
ER
PT J
AU Del Sorbo, D
Arikawa, Y
Batani, D
Beg, F
Breil, J
Chen, H
Feugeas, JL
Fujioka, S
Hulin, S
Koga, M
Maclean, H
Morace, A
Namimoto, T
Nazarov, W
Nicolai, P
Nishimura, H
Ozaki, T
Sakaki, T
Santos, JJ
Spindloe, C
Tanaka, KA
Vaisseau, X
Veltcheva, M
Yabuchi, T
Zhang, Z
AF Del Sorbo, D.
Arikawa, Y.
Batani, D.
Beg, F.
Breil, J.
Chen, H.
Feugeas, J. L.
Fujioka, S.
Hulin, S.
Koga, M.
Maclean, H.
Morace, A.
Namimoto, T.
Nazarov, W.
Nicolai, Ph.
Nishimura, H.
Ozaki, T.
Sakaki, T.
Santos, J. J.
Spindloe, Ch.
Tanaka, K. A.
Vaisseau, X.
Veltcheva, M.
Yabuchi, T.
Zhang, Z.
TI Approach to the study of fast electron transport in cylindrically
imploded targets
SO LASER AND PARTICLE BEAMS
LA English
DT Article
DE Fast ignition; Inertial confinement fusion; Relativistic electron
transport; Warm and dense matter
ID FAST IGNITION; GAIN; LASERS; MATTER
AB The transport of relativistic electron beam in compressed cylindrical targets was studied from a numerical and experimental point of view. In the experiment, cylindrical targets were imploded using the Gekko XII laser facility of the Institute of Laser Engineering. Then the fast electron beam was created by shooting the LFEX laser beam. The penetration of fast electrons was studied by observing K emission from tracer layers in the target.
C1 [Del Sorbo, D.; Batani, D.; Breil, J.; Feugeas, J. L.; Hulin, S.; Nicolai, Ph.; Sakaki, T.; Santos, J. J.; Vaisseau, X.; Veltcheva, M.] Univ Bordeaux, CELIA Ctr Lasers Intenses & Applicat, CNRS, CEA,UMR 5107, F-33405 Talence, France.
[Arikawa, Y.; Fujioka, S.; Koga, M.; Morace, A.; Namimoto, T.; Nishimura, H.; Zhang, Z.] Osaka Univ, ILE, Osaka, Japan.
[Beg, F.] UCSD, La Jolla, CA USA.
[Chen, H.; Maclean, H.] LLNL, Livermore, CA USA.
[Nazarov, W.] St Andrews Univ, St Andrews, Fife, Scotland.
[Ozaki, T.] Natl Inst Fus Sci, Toki, Gifu, Japan.
[Spindloe, Ch.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England.
[Tanaka, K. A.; Yabuchi, T.] Osaka Univ, Grad Sch Engn, Osaka, Japan.
RP Batani, D (reprint author), Univ Bordeaux, CELIA Ctr Lasers Intenses & Applicat, CNRS, CEA,UMR 5107, F-33405 Talence, France.
EM batani@celia.u-bordeaux1.fr
RI Arikawa, Yasunobu/L-8760-2015; Morace, Alessio/C-1048-2016
OI Arikawa, Yasunobu/0000-0002-3142-3060; Morace,
Alessio/0000-0001-8795-834X
FU COST action [MP1208]; ANR-TERRE
FX The authors want to thank the ILE technical team for the help, the
ANR-TERRE for the fundings, Luca Antonelli, Luca Fedeli and Claudio
Bellei for interesting discussions about this topic. They also
acknowledge the support of the COST action MP1208 "Developing the
Physics and the Scientific Community for Inertial Fusion".
NR 31
TC 1
Z9 1
U1 0
U2 11
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0263-0346
EI 1469-803X
J9 LASER PART BEAMS
JI Laser Part. Beams
PD SEP
PY 2015
VL 33
IS 3
BP 525
EP 534
DI 10.1017/S0263034615000592
PG 10
WC Physics, Applied
SC Physics
GA CQ2QM
UT WOS:000360446200021
ER
PT J
AU Vanormelingen, P
Evans, KM
Mann, DG
Lance, S
Debeer, AE
D'Hondt, S
Verstraete, T
De Meester, L
Vyverman, W
AF Vanormelingen, Pieter
Evans, Katharine M.
Mann, David G.
Lance, Stacey
Debeer, Ann-Eline
D'Hondt, Sofie
Verstraete, Tine
De Meester, Luc
Vyverman, Wim
TI Genotypic diversity and differentiation among populations of two benthic
freshwater diatoms as revealed by microsatellites
SO MOLECULAR ECOLOGY
LA English
DT Article
DE benthic diatoms; Eunotia bilunaris "robust'; genotypic diversity;
microsatellites; ponds; population differentiation; rbcL; Sellaphora
capitata
ID MARINE PLANKTONIC DIATOM; SKELETONEMA-COSTATUM BACILLARIOPHYCEAE;
DINOFLAGELLATE ALEXANDRIUM-TAMARENSE; NITZSCHIA-PUNGENS
BACILLARIOPHYCEAE; SPECIES COMPLEX BACILLARIOPHYTA; GENETIC
DIFFERENTIATION; DITYLUM-BRIGHTWELLII; NATURAL-POPULATIONS;
COMPUTER-PROGRAM; COASTAL WATERS
AB Given their large population sizes and presumed high dispersal capacity, protists are expected to exhibit homogeneous population structure over large spatial scales. On the other hand, the fragmented and short-lived nature of the lentic freshwater habitats that many protists inhabit promotes strong population differentiation. We used microsatellites in two benthic freshwater diatoms, Eunotia bilunaris robust' and Sellaphora capitata, sampled from within a pond and connected ponds, through isolated ponds from the same region to western Europe to determine the spatial scale at which differentiation appears. Because periods of low genotypic diversity contribute to population differentiation, we also assessed genotypic diversity. While genotypic diversity was very high to maximal in most samples of both species, some had a markedly lower diversity, with up to half (Eunotia) and over 90% (Sellaphora) of the strains having the same multilocus genotype. Population differentiation showed an isolation-by-distance pattern with very low standardized F-ST values between samples from the same or connected ponds but high values between isolated ponds, even when situated in the same region. Partial rbcL sequences in Eunotia were consistent with this pattern as isolated ponds in the same region could differ widely in haplotype composition. Populations identified by Structure corresponded to the source ponds, confirming that pond' is the main factor structuring these populations. We conclude that freshwater benthic diatom populations are highly fragmented on a regional scale, reflecting either less dispersal than is often assumed or reduced establishment success of immigrants, so that dispersal does not translate into gene flow.
C1 [Vanormelingen, Pieter; Debeer, Ann-Eline; D'Hondt, Sofie; Verstraete, Tine; Vyverman, Wim] Univ Ghent, Lab Protistol & Aquat Ecol, B-9000 Ghent, Belgium.
[Evans, Katharine M.] Univ Edinburgh, Sch Geosci, Edinburgh EH9 3JW, Midlothian, Scotland.
[Evans, Katharine M.; Mann, David G.] Royal Bot Garden, Edinburgh EH3 5LR, Midlothian, Scotland.
[Mann, David G.] Inst Food & Agr Res & Technol IRTA, Aquat Ecosyst, E-43540 San Carlos de la Rapita, Catalunya, Spain.
[Lance, Stacey] Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA.
[De Meester, Luc] Katholieke Univ Leuven, Lab Aquat Ecol Evolut & Conservat, B-3000 Louvain, Belgium.
RP Vanormelingen, P (reprint author), Univ Ghent, Lab Protistol & Aquat Ecol, Krijgslaan 281-S8, B-9000 Ghent, Belgium.
EM pieter.vanormelingen@UGent.be
RI Lance, Stacey/K-9203-2013; Mann, David/I-9018-2014; Evans,
Katharine/L-1709-2013; De Meester, Luc/F-3832-2015
OI Lance, Stacey/0000-0003-2686-1733; Mann, David/0000-0003-0522-6802;
Evans, Katharine/0000-0002-9819-1049; De Meester,
Luc/0000-0001-5433-6843
FU Research Foundation (FWO) - Flanders [G.0419.08]
FX This research was largely funded by the Research Foundation (FWO) -
Flanders (project G.0419.08). Pieter Vanormelingen is a postdoctoral
research fellow with the FWO - Flanders. We are very grateful to
Caroline Souffreau, Rosa Trobajo and Suzanne McGowan for (their help in)
obtaining samples for Eunotia strain isolations. We thank Drs Laurence
Carvalho (Centre for Ecology and Hydrology, Edinburgh) and Jan Krokowski
(Scottish Environmental Protection Agency) for supplying chemical data
for the Scottish lochs. Finally, we would like to thank three anonymous
reviewers for their in-depth review of an earlier version of the
manuscript.
NR 82
TC 1
Z9 1
U1 2
U2 36
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0962-1083
EI 1365-294X
J9 MOL ECOL
JI Mol. Ecol.
PD SEP
PY 2015
VL 24
IS 17
BP 4433
EP 4448
DI 10.1111/mec.13336
PG 16
WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology
SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology;
Evolutionary Biology
GA CQ2QH
UT WOS:000360445700008
PM 26227512
ER
PT J
AU Wilbanks, MC
Yuter, SE
de Szoeke, SP
Brewer, WA
Miller, MA
Hall, AM
Burleyson, CD
AF Wilbanks, Matt C.
Yuter, Sandra E.
de Szoeke, Simon P.
Brewer, W. Alan
Miller, Matthew A.
Hall, Andrew M.
Burleyson, Casey D.
TI Near-Surface Density Currents Observed in the Southeast Pacific
Stratocumulus-Topped Marine Boundary Layer*
SO MONTHLY WEATHER REVIEW
LA English
DT Article
ID LARGE-EDDY SIMULATION; TROPICAL SQUALL-LINE; VOCALS-REX; THUNDERSTORM
OUTFLOWS; COLD POOLS; DRIZZLING STRATOCUMULUS; AIRCRAFT OBSERVATIONS;
CELLULAR STRUCTURES; CONVERGENCE LINES; GRAVITY CURRENTS
AB Density currents (i.e., cold pools or outflows) beneath marine stratocumulus clouds are characterized using 30 days of ship-based observations obtained during the 2008 Variability of American Monsoon Systems (VAMOS) Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx) in the southeast Pacific. An air density increase criterion applied to the Improved Meteorological (IMET) sensor data identified 71 density current front, core (peak density), and tail (dissipating) zones. The similarity in speeds of the mean density current propagation speed (1.8 m s(-1)) and the mean cloud-level advection relative to the surface layer wind (1.9 m s(-1)) allowed drizzle cells to deposit elongated density currents in their wakes. Scanning Doppler lidar captured prefrontal updrafts with a mean intensity of 0.91 m s(-1) and an average vertical extent of 800 m. Updrafts were often surmounted by low-lying shelf clouds not connected to the overlying stratocumulus cloud. The observed density currents were 5-10 times thinner and weaker than typical continental thunderstorm cold pools. Nearly 90% of density currents were identified when C-band radar estimated areal average rain rates exceeded 1 mm day(-1) over a 30-km diameter. Rather than peaking when rain rates were highest overnight, density current occurrence peaks between 0600 and 0800 local solar time when enhanced local drizzle co-occurred with shallow subcloud dry and stable layers. The dry layers may have contributed to density current formation by enhancing subcloud evaporation of drizzle. Density currents preferentially occurred in a large region of predominantly open cells but also occurred in regions of closed cells.
C1 [Wilbanks, Matt C.; Yuter, Sandra E.; Miller, Matthew A.; Hall, Andrew M.; Burleyson, Casey D.] N Carolina State Univ, Raleigh, NC 27695 USA.
[de Szoeke, Simon P.] Oregon State Univ, Corvallis, OR 97331 USA.
[Brewer, W. Alan] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Burleyson, Casey D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Wilbanks, MC (reprint author), N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Box 8208, Raleigh, NC 27695 USA.
EM mcwilban@ncsu.edu
RI Burleyson, Casey/F-1833-2016; Yuter, Sandra/E-8808-2015; Manager, CSD
Publications/B-2789-2015
OI Burleyson, Casey/0000-0001-6218-9361; Yuter, Sandra/0000-0002-3222-053X;
FU National Oceanic and Atmospheric Administration (NOAA) Climate Program
Office (CPO) Climate Prediction Program for the Americas (CPPA)
[GC09-252b, GC09-507]; Office of Science (Biological and Environmental
Research) U.S. Department of Energy [DE-SC0006701, DE-SC0006994];
National Aeronautics and Space Administration [NNX11AE98G]; Department
of Energy by Battelle Memorial Institute [DE-AC06-76RLO 1830]
FX Special thanks to Graham Feingold, Jan Kazil, Takanobu Yamaguchi, David
Kingsmill, Tammy Weckwerth, David Mechem, Matthew Parker, Walter
Robinson, and Robert Wood for their advice and technical support. We
also thank Paquita Zuidema for providing the cloud liquid water path
product used in this study. Beth Tully drafted some of the figures. This
research was supported by the National Oceanic and Atmospheric
Administration (NOAA) Climate Program Office (CPO) Climate Prediction
Program for the Americas (CPPA) Grants GC09-252b and GC09-507, the
Office of Science (Biological and Environmental Research) U.S.
Department of Energy Grants DE-SC0006701 and DE-SC0006994, and the
National Aeronautics and Space Administration Grant NNX11AE98G. The
Pacific Northwest National Laboratory is operated for the Department of
Energy by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830.
NR 82
TC 0
Z9 0
U1 0
U2 7
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0027-0644
EI 1520-0493
J9 MON WEATHER REV
JI Mon. Weather Rev.
PD SEP
PY 2015
VL 143
IS 9
BP 3532
EP 3555
DI 10.1175/MWR-D-14-00359.1
PG 24
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA CQ0UU
UT WOS:000360313800011
ER
PT J
AU Brown, A
AF Brown, Austin
TI All hail robocabs
SO NATURE CLIMATE CHANGE
LA English
DT Editorial Material
ID ENERGY
C1 Natl Renewable Energy Lab, Washington, DC 20024 USA.
RP Brown, A (reprint author), Natl Renewable Energy Lab, 901 D St SW,Suite 930, Washington, DC 20024 USA.
EM Austin.brown@nrel.gov
NR 5
TC 0
Z9 0
U1 1
U2 2
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1758-678X
EI 1758-6798
J9 NAT CLIM CHANGE
JI Nat. Clim. Chang.
PD SEP
PY 2015
VL 5
IS 9
BP 804
EP 805
PG 2
WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric
Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA CQ1DV
UT WOS:000360338400009
ER
PT J
AU Greenblatt, JB
Saxena, S
AF Greenblatt, Jeffery B.
Saxena, Samveg
TI Autonomous taxis could greatly reduce greenhouse-gas emissions of US
light-duty vehicles
SO NATURE CLIMATE CHANGE
LA English
DT Article
AB Autonomous vehicles (AVs) are conveyances to move passengers or freight without human intervention. AVs are potentially disruptive both technologically and socially(1-3), with claimed benefits including increased safety, road utilization, driver productivity and energy savings(1-6). Here we estimate 2014 and 2030 greenhouse-gas (GHG) emissions and costs of autonomous taxis (ATs), a class of fully autonomous(7,8) shared AVs likely to gain rapid early market share, through three synergistic effiects: (1) future decreases in electricity GHG emissions intensity, (2) smaller vehicle sizes resulting from trip-specific AT deployment, and (3) higher annual vehicle-miles travelled (VMT), increasing high-efficiency (especially battery-electric) vehicle cost-effiectiveness. Combined, these factors could result in decreased US per-mile GHG emissions in 2030 per AT deployed of 87-94% below current conventionally driven vehicles (CDVs), and 63-82% below projected 2030 hybrid vehicles(9), without including other energy-saving benefits of AVs. With these substantial GHG savings, ATs could enable GHG reductions even if total VMT, average speed and vehicle size increased substantially. Oil consumption would also be reduced by nearly 100%.
C1 [Greenblatt, Jeffery B.; Saxena, Samveg] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Greenblatt, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM JBGreenblatt@lbl.gov
FU Laboratory Directed Research and Development through Lawrence Berkeley
National Laboratory under US Department of Energy [DE-AC02-05CH11231]
FX The authors thank A. Brown, J. Gonder, A. Gopal, D. Millstein, B.
Morrow, S. Moura, N. Shah, A. Sturges, R. van Buskirk, J. Ward and T.
Wenzel for insights and draft feedback. Special thanks go to C. Scown
for analysing FHA data. Work was supported in part by Laboratory
Directed Research and Development funding through Lawrence Berkeley
National Laboratory, under US Department of Energy Contract No.
DE-AC02-05CH11231.
NR 41
TC 15
Z9 15
U1 6
U2 21
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1758-678X
EI 1758-6798
J9 NAT CLIM CHANGE
JI Nat. Clim. Chang.
PD SEP
PY 2015
VL 5
IS 9
BP 860
EP +
DI 10.1038/NCLIMATE2685
PG 6
WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric
Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA CQ1DV
UT WOS:000360338400020
ER
PT J
AU Minor, AM
AF Minor, Andrew M.
TI METALLURGY Starting and stopping dislocations
SO NATURE MATERIALS
LA English
DT News Item
C1 [Minor, Andrew M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Minor, Andrew M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Mol Foundry, Berkeley, CA 94720 USA.
RP Minor, AM (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM aminor@berkeley.edu
RI Foundry, Molecular/G-9968-2014
NR 8
TC 0
Z9 0
U1 2
U2 26
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1476-1122
EI 1476-4660
J9 NAT MATER
JI Nat. Mater.
PD SEP
PY 2015
VL 14
IS 9
BP 866
EP 867
DI 10.1038/nmat4354
PG 2
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA CP9CT
UT WOS:000360192000015
PM 26147847
ER
PT J
AU Jiang, Z
He, JB
Deshmukh, SA
Kanjanaboos, P
Kamath, G
Wang, YF
Sankaranarayanan, SKRS
Wang, J
Jaeger, HM
Lin, XM
AF Jiang, Zhang
He, Jinbo
Deshmukh, Sanket A.
Kanjanaboos, Pongsakorn
Kamath, Ganesh
Wang, Yifan
Sankaranarayanan, Subramanian K. R. S.
Wang, Jin
Jaeger, Heinrich M.
Lin, Xiao-Min
TI Subnanometre ligand-shell asymmetry leads to Janus-like nanoparticle
membranes
SO NATURE MATERIALS
LA English
DT Article
ID NANOCRYSTAL SUPERLATTICES; AIR/WATER INTERFACE; GOLD NANOPARTICLES;
CELL-MEMBRANE; X-RAY; CURVATURE; GISAXS; MODEL; MONOLAYERS; CHEMISTRY
AB Self-assembly of nanoparticles at fluid interfaces has emerged as a simple yet efficient way to create two-dimensional membranes with tunable properties(1-6). In these membranes, inorganic nanoparticles are coated with a shell of organic ligands that interlock as spacers and provide tensile strength. Although curvature due to gradients in lipid-bilayer composition and protein scaffolding(7,8) is a key feature of many biological membranes, creating gradients in nanoparticle membranes has been difficult. Here, we show by X-ray scattering that nanoparticle membranes formed at air/water interfaces exhibit a small but significant similar to 6 angstrom difference in average ligand-shell thickness between their two sides. This affects surface-enhanced Raman scattering and can be used to fold detached free-standing membranes into tubes by exposure to electron beams. Molecular dynamics simulations elucidate the roles of ligand coverage and mobility in producing and maintaining this asymmetry. Understanding this Janus-like membrane asymmetry opens up new avenues for designing nanoparticle superstructures.
C1 [Jiang, Zhang; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[He, Jinbo; Kanjanaboos, Pongsakorn; Wang, Yifan; Jaeger, Heinrich M.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[He, Jinbo; Kanjanaboos, Pongsakorn; Wang, Yifan; Jaeger, Heinrich M.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Deshmukh, Sanket A.; Kamath, Ganesh; Sankaranarayanan, Subramanian K. R. S.; Lin, Xiao-Min] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Kamath, Ganesh] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
RP Lin, XM (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM xmlin@anl.gov
RI Kanjanaboos, Pongsakorn/Q-1050-2015; Jiang, Zhang/A-3297-2012;
OI Kanjanaboos, Pongsakorn/0000-0002-4854-1733; Jiang,
Zhang/0000-0003-3503-8909; Wang, Yifan/0000-0003-2284-520X
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences User Facility [DE-AC02-06CH11357]; NSF [DMR-1207204,
DMR-1420709]; Chicago MRSEC; Office of Science of the US Department of
Energy [DE-AC02-05CH11231]; DOE Office of Science User Facility
[DE-AC02-06CH11357]
FX The authors thank S. McBride and E. Barry for many stimulating
discussions. We also benefited from discussions with Y. Rabin of Ilan
University, Israel, and R. Salvarezza of INIFTA, Argentina. This work
was performed at the Center of Nanoscale Materials and 8-ID at the
Advanced Photon Source, a US Department of Energy, Office of Science,
Office of Basic Energy Sciences User Facility under Contract No.
DE-AC02-06CH11357. The work at the University of Chicago was supported
by the NSF through grant DMR-1207204 and through the Chicago MRSEC,
under NSF DMR-1420709. This research used resources of the National
Energy Research Scientific Computing Center, a DOE Office of Science
User Facility supported by the Office of Science of the US Department of
Energy under Contract No. DE-AC02-05CH11231. This research also used
resources of the Argonne Leadership Computing Facility, which is a DOE
Office of Science User Facility supported under Contract
DE-AC02-06CH11357.
NR 35
TC 13
Z9 13
U1 25
U2 154
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1476-1122
EI 1476-4660
J9 NAT MATER
JI Nat. Mater.
PD SEP
PY 2015
VL 14
IS 9
BP 912
EP +
DI 10.1038/NMAT4321
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA CP9CT
UT WOS:000360192000025
PM 26053763
ER
PT J
AU Mueller, RC
Bohannan, BJM
AF Mueller, Rebecca C.
Bohannan, Brendan J. M.
TI Shifts in the phylogenetic structure of arbuscular mycorrhizal fungi in
response to experimental nitrogen and carbon dioxide additions
SO OECOLOGIA
LA English
DT Article
DE Global change; Community shifts; Phylogenetic diversity; Phylogenetic
clustering; Jasper Ridge Global Change Experiment
ID NORTHERN HARDWOOD FORESTS; ELEVATED ATMOSPHERIC CO2; COMMUNITY
STRUCTURE; PLANT DIVERSITY; TERRESTRIAL ECOSYSTEMS; CURRENT KNOWLEDGE;
DEPOSITION; ECOLOGY; FERTILIZATION; AVAILABILITY
AB Global N inputs and atmospheric CO2 concentrations have increased as a result of human activities, and are predicted to increase along with population growth, with potentially negative effects on biodiversity. Using taxonomic and phylogenetic measures, we examined the response of arbuscular mycorrhizal fungi (AMF) to experimental manipulations of N and CO2 at the Jasper Ridge Global Change Experiment. No significant interactions between N and CO2 were observed, but individual effects of N and CO2 were found. Elevated CO2 resulted in changes in phylogenetic similarity, and a shift to phylogenetic clustering of AMF communities. N addition resulted in higher phylogenetic diversity and evenness, with no shifts in community composition and no significant signal for phylogenetic clustering. N addition resulted in an increase in both available N and the N:P ratio in N-amended plots, which suggests that changing patterns of nutrient limitation could have lead to altered species interactions. These findings suggest that elevated levels of N and CO2 altered patterns of AMF community assembly, with potential effects on ecosystem function.
C1 [Mueller, Rebecca C.; Bohannan, Brendan J. M.] Univ Oregon, Inst Ecol & Evolut, Eugene, OR 97403 USA.
RP Mueller, RC (reprint author), Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87544 USA.
EM beckymueller@gmail.com
FU National Science Foundation [DEB-0910374]
FX We thank Nona Chiariello and Chris Field for coordinating field
sampling, Kathryn Docherty and Evan Jones for laboratory support, Will
Truce for help in field collections and Jessica Gutknecht for sharing
PLFA data. This work was funded by a Doctoral Dissertation Improvement
grant (National Science Foundation DEB-0910374). The funding agency had
no role in the design or execution of this research.
NR 71
TC 1
Z9 1
U1 6
U2 65
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0029-8549
EI 1432-1939
J9 OECOLOGIA
JI Oecologia
PD SEP
PY 2015
VL 179
IS 1
BP 175
EP 185
DI 10.1007/s00442-015-3337-z
PG 11
WC Ecology
SC Environmental Sciences & Ecology
GA CQ4AS
UT WOS:000360547000015
PM 25990297
ER
PT J
AU Tabakov, B
Benito, F
Blain, M
Clark, CR
Clark, S
Haltli, RA
Maunz, P
Sterk, JD
Tigges, C
Stick, D
AF Tabakov, Boyan
Benito, Francisco
Blain, Matthew
Clark, Craig R.
Clark, Susan
Haltli, Raymond A.
Maunz, Peter
Sterk, Jonathan D.
Tigges, Chris
Stick, Daniel
TI Assembling a Ring-Shaped Crystal in a Microfabricated Surface Ion Trap
SO PHYSICAL REVIEW APPLIED
LA English
DT Article
ID PAUL TRAP; STORAGE
AB We report on experiments with a microfabricated surface trap designed for confining a chain of ions in a ring. Uniform ion separation over most of the ring is achieved with a rotationally symmetric design and by measuring and suppressing undesired electric fields. After reducing stray fields, the ions are confined primarily by a radio-frequency pseudopotential and their mutual Coulomb repulsion. Approximately 400 Ca-40(+) ions with an average separation of 9 mu m comprise the ion crystal.
C1 [Tabakov, Boyan; Benito, Francisco; Blain, Matthew; Clark, Craig R.; Clark, Susan; Haltli, Raymond A.; Maunz, Peter; Sterk, Jonathan D.; Tigges, Chris; Stick, Daniel] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Tabakov, Boyan; Stick, Daniel] Univ New Mexico, Ctr Quantum Informat & Control, Albuquerque, NM 87131 USA.
RP Stick, D (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM dlstick@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Office of the Director of National Intelligence
(ODNI), Intelligence Advanced Research Projects Activity (IARPA)
FX B. T. thanks Hartmut Haffner for ultrahigh-vacuum advice, Kevin Fortier
for help with lasers, David Moehring for supporting initial experiments,
and Jonathan Mizrahi for useful theoretical discussions. The authors
would also like to thank Jungsang Kim and Boris Blinov for suggesting to
fabricate a ring-shaped ion trap. Sandia National Laboratories is a
multiprogram laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
Contract No. DE-AC04-94AL85000. This research was funded by the Office
of the Director of National Intelligence (ODNI), Intelligence Advanced
Research Projects Activity (IARPA). All statements of fact, opinion or
conclusions contained herein are those of the authors and should not be
construed as representing the official views or policies of IARPA, the
ODNI, or the U.S. Government.
NR 21
TC 3
Z9 3
U1 1
U2 3
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2331-7019
J9 PHYS REV APPL
JI Phys. Rev. Appl.
PD SEP 1
PY 2015
VL 4
IS 3
AR 031001
DI 10.1103/PhysRevApplied.4.031001
PG 5
WC Physics, Applied
SC Physics
GA CQ1DJ
UT WOS:000360337200001
ER
PT J
AU Wang, M
Yi, M
Cao, HB
de la Cruz, C
Mo, SK
Huang, QZ
Bourret-Courchesne, E
Dai, PC
Lee, DH
Shen, ZX
Birgeneau, RJ
AF Wang, Meng
Yi, Ming
Cao, Huibo
de la Cruz, C.
Mo, S. K.
Huang, Q. Z.
Bourret-Courchesne, E.
Dai, Pengcheng
Lee, D. H.
Shen, Z. X.
Birgeneau, R. J.
TI Mott localization in a pure stripe antiferromagnet Rb1-delta Fe1.5-sigma
S2
SO PHYSICAL REVIEW B
LA English
DT Article
ID TRANSITION-TEMPERATURE; IRON SELENIDE; SUPERCONDUCTIVITY;
A(X)FE(2)SE(2); FESE
AB A combination of neutron diffraction and angle-resolved photoemission spectroscopy measurements on a pure antiferromagnetic stripe Rb1-delta Fe1.5-sigma S2 is reported. A neutron diffraction experiment on a powder sample shows that a 98% volume fraction of the sample is in the antiferromagnetic stripe phase with rhombic iron vacancy order and a refined composition of Rb0.66Fe1.36S2, and that only 2% of the sample is in the block antiferromagnetic phase with root 5 x root 5 iron vacancy order. Furthermore, a neutron diffraction experiment on a single crystal shows that there is only a single phase with the stripe antiferromagnetic order with the refined composition of Rb0.78Fe1.35S2, while the phase with block antiferromagnetic order is absent. Angle-resolved photoemission spectroscopy measurements on the same crystal with the pure stripe phase reveal that the electronic structure is gapped at the Fermi level with a gap larger than 0.325 eV. The data collectively demonstrate that the extra 10% iron vacancies in addition to the rhombic iron vacancy order effectively impede the formation of the block antiferromagnetic phase; the data also suggest that the stripe antiferromagnetic phase with rhombic iron vacancy order is a Mott insulator.
C1 [Wang, Meng; Yi, Ming; Lee, D. H.; Birgeneau, R. J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Cao, Huibo; de la Cruz, C.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Mo, S. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Huang, Q. Z.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Bourret-Courchesne, E.; Lee, D. H.; Birgeneau, R. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Dai, Pengcheng] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.
[Shen, Z. X.] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Shen, Z. X.] Stanford Univ, Menlo Pk, CA 94025 USA.
[Shen, Z. X.] Stanford Univ, Dept Phys & Appl Phys, Stanford, CA 94305 USA.
[Shen, Z. X.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA.
[Birgeneau, R. J.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Wang, M (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM wangm@berkeley.edu
RI Mo, Sung-Kwan/F-3489-2013; Dai, Pengcheng /C-9171-2012; Cao,
Huibo/A-6835-2016; WANG, MENG/E-6595-2012; dela Cruz,
Clarina/C-2747-2013
OI Mo, Sung-Kwan/0000-0003-0711-8514; Dai, Pengcheng /0000-0002-6088-3170;
Cao, Huibo/0000-0002-5970-4980; WANG, MENG/0000-0002-8232-2331; dela
Cruz, Clarina/0000-0003-4233-2145
FU Office of Science, Office of Basic Energy Sciences, U.S. Department of
Energy [DE-AC02-05CH11231, DE-AC03-76SF008]; Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy;
U.S. DOE, BES [DE-SC0012311]; DOE Office of Basic Energy Sciences,
Division of Materials Sciences [DE-AC02-76SF00515]
FX This work is supported by the Director, Office of Science, Office of
Basic Energy Sciences, U.S. Department of Energy, under Contracts No.
DE-AC02-05CH11231 and No. DE-AC03-76SF008. The research at Oak Ridge
National Laboratory's High-Flux Isotope Reactor and Lawrence Berkeley
National Laboratory's Advanced Light Source are sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy. Work at Rice is supported by the U.S. DOE,
BES under Contract No. DE-SC0012311 (P.D.). Work at Stanford is
supported by the DOE Office of Basic Energy Sciences, Division of
Materials Sciences, under Contract No. DE-AC02-76SF00515.
NR 37
TC 3
Z9 3
U1 3
U2 20
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 1098-0121
EI 1550-235X
J9 PHYS REV B
JI Phys. Rev. B
PD SEP 1
PY 2015
VL 92
IS 12
AR 121101
DI 10.1103/PhysRevB.92.121101
PG 5
WC Physics, Condensed Matter
SC Physics
GA CQ1BF
UT WOS:000360331600001
ER
PT J
AU Warnicke, P
Stavitski, E
Lee, JS
Yang, A
Chen, Z
Zuo, X
Zohar, S
Bailey, WE
Harris, VG
Arena, DA
AF Warnicke, P.
Stavitski, E.
Lee, J-S.
Yang, A.
Chen, Z.
Zuo, X.
Zohar, S.
Bailey, W. E.
Harris, V. G.
Arena, D. A.
TI Direct observation of symmetry-specific precession in a ferrimagnet
SO PHYSICAL REVIEW B
LA English
DT Article
ID MANGANESE FERRITE; MAGNETIC-ANISOTROPY; DICHROISM; ABSORPTION; FILMS;
RESONANCE
AB Here we demonstrate an experimental observation of GHz-scale spin dynamics resolved to sublattice octahedral (O-h) tetrahedral (T-d) sites in a spinel ferrimagnet, in this case a Mn-ferrite thin film. X-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) are used, in combination with multiplet calculations, to uniquely identify the spectral signature from Mn2+ and Fe-2+,Fe-3+ on O-h and T-d lattice sites. With the sample under rf excitation, the spin alignment of the sublattices is tracked with time-resolved XMCD (TR-XMCD). The spin alignment of the sublattices is mostly antiferromagnetic. The phase difference between the O-h Fe2+ [O-h Fe3+] and T-d Mn2+ sites is 181.2 +/- 3.8 degrees [183.3 degrees +/- 3.7 degrees] at 150 K and 186.6 +/- 2.2 degrees [182.0 degrees +/- 2.2 degrees] at 300 K. Such direct measurement of the dynamic coupling, exchange stiffness, and damping enabled by TR-XMCD across sublattices will be essential for optimizing the development of future-generation microwave devices.
C1 [Warnicke, P.; Stavitski, E.; Lee, J-S.; Arena, D. A.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Yang, A.; Chen, Z.; Zuo, X.; Harris, V. G.] Northeastern Univ, Dept Elect & Comp Engn, Boston, MA 02115 USA.
[Zohar, S.; Bailey, W. E.] Columbia Univ, Dept Appl Phys, Mat Sci Program, New York, NY 10027 USA.
RP Arena, DA (reprint author), Univ S Florida, Dept Phys, Tampa, FL 33620 USA.
EM darena@usf.edu
FU U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences [DE-AC02-98CH10886, DE-AC02-06CH11357]
FX Use of the National Synchrotron Light Source (NSLS) at Brookhaven
National Laboratory and the Advanced Photon Source (APS) at Argonne
National Laboratory is supported by the U.S. Department of Energy (DOE),
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-98CH10886 (NSLS) and Contract No. DE-AC02-06CH11357 (APS).
NR 40
TC 0
Z9 0
U1 0
U2 8
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 1098-0121
EI 1550-235X
J9 PHYS REV B
JI Phys. Rev. B
PD SEP 1
PY 2015
VL 92
IS 10
AR 104402
DI 10.1103/PhysRevB.92.104402
PG 6
WC Physics, Condensed Matter
SC Physics
GA CQ1AY
UT WOS:000360330900005
ER
PT J
AU Casey, DT
Milovich, JL
Smalyuk, VA
Clark, DS
Robey, HF
Pak, A
MacPhee, AG
Baker, KL
Weber, CR
Ma, T
Park, HS
Doppner, T
Callahan, DA
Haan, SW
Patel, PK
Peterson, JL
Hoover, D
Nikroo, A
Yeamans, CB
Merrill, FE
Volegov, PL
Fittinghoff, DN
Grim, GP
Edwards, MJ
Landen, OL
Lafortune, KN
MacGowan, BJ
Widmayer, CC
Sayre, DB
Hatarik, R
Bond, EJ
Nagel, SR
Benedetti, LR
Izumi, N
Khan, S
Bachmann, B
Spears, BK
Cerjan, CJ
Johnson, MG
Frenje, JA
AF Casey, D. T.
Milovich, J. L.
Smalyuk, V. A.
Clark, D. S.
Robey, H. F.
Pak, A.
MacPhee, A. G.
Baker, K. L.
Weber, C. R.
Ma, T.
Park, H-S.
Doeppner, T.
Callahan, D. A.
Haan, S. W.
Patel, P. K.
Peterson, J. L.
Hoover, D.
Nikroo, A.
Yeamans, C. B.
Merrill, F. E.
Volegov, P. L.
Fittinghoff, D. N.
Grim, G. P.
Edwards, M. J.
Landen, O. L.
Lafortune, K. N.
MacGowan, B. J.
Widmayer, C. C.
Sayre, D. B.
Hatarik, R.
Bond, E. J.
Nagel, S. R.
Benedetti, L. R.
Izumi, N.
Khan, S.
Bachmann, B.
Spears, B. K.
Cerjan, C. J.
Johnson, M. Gatu
Frenje, J. A.
TI Improved Performance of High Areal Density Indirect Drive Implosions at
the National Ignition Facility using a Four-Shock Adiabat Shaped Drive
SO PHYSICAL REVIEW LETTERS
LA English
DT Article
ID INERTIAL CONFINEMENT FUSION; RAYLEIGH-TAYLOR INSTABILITY; GROWTH;
PROFILES; TARGETS; PICKET; SHOCK
AB Hydrodynamic instabilities can cause capsule defects and other perturbations to grow and degrade implosion performance in ignition experiments at the National Ignition Facility (NIF). Here, we show the first experimental demonstration that a strong unsupported first shock in indirect drive implosions at the NIF reduces ablation front instability growth leading to a 3 to 10 times higher yield with fuel rho R > 1 g/cm(2). This work shows the importance of ablation front instability growth during the National Ignition Campaign and may provide a path to improved performance at the high compression necessary for ignition.
C1 [Casey, D. T.; Milovich, J. L.; Smalyuk, V. A.; Clark, D. S.; Robey, H. F.; Pak, A.; MacPhee, A. G.; Baker, K. L.; Weber, C. R.; Ma, T.; Park, H-S.; Doeppner, T.; Callahan, D. A.; Haan, S. W.; Patel, P. K.; Peterson, J. L.; Yeamans, C. B.; Edwards, M. J.; Landen, O. L.; Lafortune, K. N.; MacGowan, B. J.; Widmayer, C. C.; Sayre, D. B.; Hatarik, R.; Bond, E. J.; Nagel, S. R.; Benedetti, L. R.; Izumi, N.; Khan, S.; Bachmann, B.; Spears, B. K.; Cerjan, C. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Hoover, D.; Nikroo, A.] Gen Atom, San Diego, CA 92121 USA.
[Merrill, F. E.; Volegov, P. L.; Fittinghoff, D. N.; Grim, G. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Johnson, M. Gatu; Frenje, J. A.] MIT, Cambridge, MA 02139 USA.
RP Casey, DT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RI Patel, Pravesh/E-1400-2011; IZUMI, Nobuhiko/J-8487-2016
OI IZUMI, Nobuhiko/0000-0003-1114-597X
FU U.S. Department of Energy, Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX The authors sincerely thank the NIF operations staff who supported this
work. We gratefully acknowledge helpful conversations with O. Hurricane,
J. Lindl, and J. Perkins. This work was performed under the auspices of
the U.S. Department of Energy by Lawrence Livermore National Laboratory
under Contract No. DE-AC52-07NA27344.
NR 50
TC 20
Z9 20
U1 2
U2 35
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 0031-9007
EI 1079-7114
J9 PHYS REV LETT
JI Phys. Rev. Lett.
PD SEP 1
PY 2015
VL 115
IS 10
AR 105001
DI 10.1103/PhysRevLett.115.105001
PG 5
WC Physics, Multidisciplinary
SC Physics
GA CQ1CW
UT WOS:000360335900009
PM 26382681
ER
PT J
AU Wang, ZT
Kamiya, Y
Nevidomskyy, AH
Batista, CD
AF Wang, Zhentao
Kamiya, Yoshitomo
Nevidomskyy, Andriy H.
Batista, Cristian D.
TI Three-Dimensional Crystallization of Vortex Strings in Frustrated
Quantum Magnets
SO PHYSICAL REVIEW LETTERS
LA English
DT Article
ID BOSE-EINSTEIN CONDENSATION; WEAK FERROMAGNETISM; ANTIFERROMAGNETS;
SUPERCONDUCTORS; SKYRMIONS; LATTICE; FIELD; MODEL; GAS; NMR
AB We demonstrate that frustrated exchange interactions can produce exotic 3D crystals of vortex strings near the saturation field (H = H-sat) of body- and face-centered cubic Mott insulators. The combination of cubic symmetry and frustration leads to a magnon spectrum of the fully polarized spin state (H > H-sat) with degenerate minima at multiple noncoplanar Q vectors. This spectrum becomes gapless at the quantum critical point H = H-sat and the magnetic ordering below Hsat can be formally described as a condensate of a dilute gas of bosons. By expanding in the lattice gas parameter, we find that different vortex crystals span sizable regions of the phase diagrams for isotropic exchange and are further stabilized by symmetric exchange anisotropy.
C1 [Wang, Zhentao; Nevidomskyy, Andriy H.] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.
[Kamiya, Yoshitomo] RIKEN, iTHES Res Grp, Wako, Saitama 3510198, Japan.
[Kamiya, Yoshitomo] RIKEN, Condensed Matter Theory Lab, Wako, Saitama 3510198, Japan.
[Batista, Cristian D.] Los Alamos Natl Lab, Theoret Div, T & CNLS 4, Los Alamos, NM 87545 USA.
RP Wang, ZT (reprint author), Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA.
RI Kamiya, Yoshitomo/B-6307-2012; Wang, Zhentao/F-8328-2016; Batista,
Cristian/J-8008-2016;
OI Kamiya, Yoshitomo/0000-0002-0758-0234; Wang,
Zhentao/0000-0001-7442-2933; Nevidomskyy, Andriy/0000-0002-8684-7979
FU Welch Foundation [C-1818]; NSF [DMR-1350237, 1066293]; CNLS summer
student program; Research Corporation for Science Advancement (RCSA)
[22799]; U.S. DOE [DE-AC52-06NA25396]; RIKEN iTHES project
FX We would like to thank T. Momoi and N. Shannon for helpful discussions.
Z. W. and A. H. N. were supported by Welch Foundation Grant No. C-1818
and the NSF CAREER Award No. DMR-1350237. Z. W. acknowledges support
from the CNLS summer student program under which part of the work was
performed. A. H. N. was supported by the Cottrell Award from the
Research Corporation for Science Advancement (RCSA Grant No. 22799).
Work at LANL was performed under the auspices of the U.S. DOE, Contract
No. DE-AC52-06NA25396, through the LDRD program. Y. K. acknowledges
financial supports from the RIKEN iTHES project. A. H. N. and C. D. B.
thank the Aspen Center for Physics (supported by NSF Grant No. 1066293)
for hospitality during the initial stage of this work.
NR 36
TC 5
Z9 5
U1 1
U2 20
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 0031-9007
EI 1079-7114
J9 PHYS REV LETT
JI Phys. Rev. Lett.
PD SEP 1
PY 2015
VL 115
IS 10
AR 107201
DI 10.1103/PhysRevLett.115.107201
PG 5
WC Physics, Multidisciplinary
SC Physics
GA CQ1CW
UT WOS:000360335900014
PM 26382699
ER
PT J
AU Vega-Sanchez, ME
Loque, D
Lao, JM
Catena, M
Verhertbruggen, Y
Herter, T
Yang, F
Harholt, J
Ebert, B
Baidoo, EEK
Keasling, JD
Scheller, HV
Heazlewood, JL
Ronald, PC
AF Vega-Sanchez, Miguel E.
Loque, Dominique
Lao, Jeemeng
Catena, Michela
Verhertbruggen, Yves
Herter, Thomas
Yang, Fan
Harholt, Jesper
Ebert, Berit
Baidoo, Edward E. K.
Keasling, Jay D.
Scheller, Henrik V.
Heazlewood, Joshua L.
Ronald, Pamela C.
TI Engineering temporal accumulation of a low recalcitrance polysaccharide
leads to increased C6 sugar content in plant cell walls
SO PLANT BIOTECHNOLOGY JOURNAL
LA English
DT Article
DE mixed-linkage glucan; CslF6; senescence-associated promoter; gluconic
acid; cell wall engineering; bioenergy
ID ARABIDOPSIS-THALIANA; MIXED-LINKAGE; BIOSYNTHESIS; SENESCENCE;
(1,3/1,4)-BETA-D-GLUCANS; METABOLISM; EXPRESSION; BIOFUELS; ACID;
IDENTIFICATION
AB Reduced cell wall recalcitrance and increased C6 monosaccharide content are desirable traits for future biofuel crops, as long as these biomass modifications do not significantly alter normal growth and development. Mixed-linkage glucan (MLG), a cell wall polysaccharide only present in grasses and related species among flowering plants, is comprised of glucose monomers linked by both -1,3 and -1,4 bonds. Previous data have shown that constitutive production of MLG in barley (Hordeum vulgare) severely compromises growth and development. Here, we used spatio-temporal strategies to engineer Arabidopsis thaliana plants to accumulate significant amounts of MLG in the cell wall by expressing the rice CslF6 MLG synthase using secondary cell wall and senescence-associated promoters. Results using secondary wall promoters were suboptimal. When the rice MLG synthase was expressed under the control of a senescence-associated promoter, we obtained up to four times more glucose in the matrix cell wall fraction and up to a 42% increase in saccharification compared to control lines. Importantly, these plants grew and developed normally. The induction of MLG deposition at senescence correlated with an increase of gluconic acid in cell wall extracts of transgenic plants in contrast to the other approaches presented in this study. MLG produced in Arabidopsis has an altered structure compared to the grass glucan, which likely affects its solubility, while its molecular size is unaffected. The induction of cell wall polysaccharide biosynthesis in senescing tissues offers a novel engineering alternative to enhance cell wall properties of lignocellulosic biofuel crops.
C1 [Vega-Sanchez, Miguel E.; Loque, Dominique; Lao, Jeemeng; Catena, Michela; Verhertbruggen, Yves; Herter, Thomas; Yang, Fan; Ebert, Berit; Baidoo, Edward E. K.; Keasling, Jay D.; Scheller, Henrik V.; Heazlewood, Joshua L.; Ronald, Pamela C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
[Vega-Sanchez, Miguel E.; Loque, Dominique; Lao, Jeemeng; Catena, Michela; Verhertbruggen, Yves; Herter, Thomas; Yang, Fan; Ebert, Berit; Baidoo, Edward E. K.; Keasling, Jay D.; Scheller, Henrik V.; Heazlewood, Joshua L.; Ronald, Pamela C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Harholt, Jesper; Ebert, Berit] Univ Copenhagen, Dept Plant & Environm Sci, Frederiksberg C, Denmark.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Scheller, Henrik V.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Ronald, Pamela C.] Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA.
[Ronald, Pamela C.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
RP Ronald, PC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
EM pcronald@ucdavis.edu
RI Yang, Fan/I-4438-2015; Loque, Dominique/A-8153-2008; Heazlewood,
Joshua/A-2554-2008; Ebert, Berit/F-1856-2016; Scheller,
Henrik/A-8106-2008;
OI Heazlewood, Joshua/0000-0002-2080-3826; Ebert,
Berit/0000-0002-6914-5473; Scheller, Henrik/0000-0002-6702-3560;
Verhertbruggen, Yves/0000-0003-4114-5428
FU Office of Science, Office of Biological and Environmental Research of
the U.S. Department of Energy [DE-AC02-05CH11231]; Villum Foundation
FX We thank Dr. Emilie Rennie for useful suggestions on sample purification
for metabolite analysis. This work conducted by the Joint BioEnergy
Institute was supported by the Office of Science, Office of Biological
and Environmental Research, of the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. J. H. was supported by the Villum
Foundation's Young Investigator Program.
NR 45
TC 7
Z9 7
U1 3
U2 19
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1467-7644
EI 1467-7652
J9 PLANT BIOTECHNOL J
JI Plant Biotechnol. J.
PD SEP
PY 2015
VL 13
IS 7
BP 903
EP 914
DI 10.1111/pbi.12326
PG 12
WC Biotechnology & Applied Microbiology; Plant Sciences
SC Biotechnology & Applied Microbiology; Plant Sciences
GA CP8XX
UT WOS:000360179400005
PM 25586315
ER
PT J
AU Fan, Y
Tan, KM
Chhor, G
Butler, EK
Jedrzejczak, RP
Missiakas, D
Joachimiak, A
AF Fan, Yao
Tan, Kemin
Chhor, Gekleng
Butler, Emily K.
Jedrzejczak, Robert P.
Missiakas, Dominique
Joachimiak, Andrzej
TI EsxB, a secreted protein from Bacillus anthracis forms two distinct
helical bundles
SO PROTEIN SCIENCE
LA English
DT Article
DE type VII secretion system; ESAT-6 like secretion system; WXG family;
EsxB; helix bundle; antiparallel dimer; bisecting U dimer; tetramer
ID VIRULENCE; SYSTEM; MODEL
AB The EsxB protein from Bacillus anthracis belongs to the WXG100 family, a group of proteins secreted by a specialized secretion system. We have determined the crystal structures of recombinant EsxB and discovered that the small protein (approximate to 10 kDa), comprised of a helix-loop-helix (HLH) hairpin, is capable of associating into two different helical bundles. The two basic quaternary assemblies of EsxB are an antiparallel (AP) dimer and a rarely observed bisecting U (BU) dimer. This structural duality of EsxB is believed to originate from the heptad repeat sequence diversity of the first helix of its HLH hairpin, which allows for two alternative helix packing. The flexibility of EsxB and the ability to form alternative helical bundles underscore the possibility that this protein can serve as an adaptor in secretion and can form hetero-oligomeric helix bundle(s) with other secreted members of the WXG100 family, such as EsxW. The highly conserved WXG motif is located within the loop of the HLH hairpin and is mostly buried within the helix bundle suggesting that its role is mainly structural. The exact functions of the motif, including a proposed role as a secretion signal, remain unknown.
PDB Code(s): PDB Code(s): PDB Code(s): PDB Code(s):
C1 [Fan, Yao; Tan, Kemin; Chhor, Gekleng; Jedrzejczak, Robert P.; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA.
[Tan, Kemin; Joachimiak, Andrzej] Argonne Natl Lab, Dept Biosci, Struct Biol Ctr, Argonne, IL 60439 USA.
[Tan, Kemin; Joachimiak, Andrzej] Univ Chicago, Ctr Struct Genom Infect Dis, Chicago, IL 60637 USA.
[Butler, Emily K.; Missiakas, Dominique] Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA.
[Butler, Emily K.; Missiakas, Dominique] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA.
RP Joachimiak, A (reprint author), Argonne Natl Lab, Midwest Ctr Struct Genom, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM andrzejj@anl.gov
FU National Institutes of Health [GM074942, GM094585]; US Department of
Energy, Office of Biological and Environmental Research
[DE-AC02-06CH11357]
FX Grant sponsor: National Institutes of Health; Grant numbers: GM074942,
GM094585; Grant sponsor: US Department of Energy, Office of Biological
and Environmental Research; Grant number: DE-AC02-06CH11357.
NR 33
TC 1
Z9 1
U1 0
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0961-8368
EI 1469-896X
J9 PROTEIN SCI
JI Protein Sci.
PD SEP
PY 2015
VL 24
IS 9
BP 1389
EP 1400
DI 10.1002/pro.2715
PG 12
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA CQ1SX
UT WOS:000360380400006
PM 26032645
ER
PT J
AU Lou, YR
Kanninen, L
Kaehr, B
Townson, JL
Niklander, J
Harjumaki, R
Brinker, CJ
Yliperttula, M
AF Lou, Yan-Ru
Kanninen, Liisa
Kaehr, Bryan
Townson, Jason L.
Niklander, Johanna
Harjumaki, Riina
Brinker, C. Jeffrey
Yliperttula, Marjo
TI Silica bioreplication preserves three-dimensional spheroid structures of
human pluripotent stem cells and HepG2 cells
SO SCIENTIFIC REPORTS
LA English
DT Article
ID TERM SELF-RENEWAL; NANOFIBRILLAR CELLULOSE HYDROGEL; DIFFERENTIATION;
CULTURE; BIOCOMPOSITES; INTERFACES; SUSPENSION; SURFACES; SCAFFOLD;
TISSUES
AB Three-dimensional (3D) cell cultures produce more in vivo-like multicellular structures such as spheroids that cannot be obtained in two-dimensional (2D) cell cultures. Thus, they are increasingly employed as models for cancer and drug research, as well as tissue engineering. It has proven challenging to stabilize spheroid architectures for detailed morphological examination. Here we overcome this issue using a silica bioreplication (SBR) process employed on spheroids formed from human pluripotent stem cells (hPSCs) and hepatocellular carcinoma HepG2 cells cultured in the nanofibrillar cellulose (NFC) hydrogel. The cells in the spheroids are more round and tightly interacting with each other than those in 2D cultures, and they develop microvilli-like structures on the cell membranes as seen in 2D cultures. Furthermore, SBR preserves extracellular matrix-like materials and cellular proteins. These findings provide the first evidence of intact hPSC spheroid architectures and similar fine structures to 2D-cultured cells, providing a pathway to enable our understanding of morphogenesis in 3D cultures.
C1 [Lou, Yan-Ru; Kanninen, Liisa; Niklander, Johanna; Harjumaki, Riina; Yliperttula, Marjo] Univ Helsinki, Fac Pharm, Div Pharmaceut Biosci, Ctr Drug Res, FIN-00014 Helsinki, Finland.
[Kaehr, Bryan; Brinker, C. Jeffrey] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87185 USA.
[Kaehr, Bryan; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Biomol Engn, Albuquerque, NM 87131 USA.
[Townson, Jason L.] Univ New Mexico, Dept Internal Med, Div Mol Med, Albuquerque, NM 87131 USA.
[Townson, Jason L.] Univ New Mexico, Ctr Microengn Mat, Albuquerque, NM 87131 USA.
RP Lou, YR (reprint author), Univ Helsinki, Fac Pharm, Div Pharmaceut Biosci, Ctr Drug Res, FIN-00014 Helsinki, Finland.
EM yan-ru.lou@helsinki.fi; marjo.yliperttula@helsinki.fi
RI Lou, Yan-Ru/K-4348-2012;
OI Lou, Yan-Ru/0000-0001-7717-6010; Harjumaki, Riina/0000-0002-1583-0379
FU Finnish Funding Agency for Innovation - industry-driven GrowDex II
project. L.K; US Department of Energy, Office of Science, Basic Energy
Sciences, Materials Sciences and Engineering Division; Air Force Office
of Scientific Research [FA9550-14-1-0066]; NSF INSPIRE [CBET-1344298]
FX This work was funded and supported by the Finnish Funding Agency for
Innovation - industry-driven GrowDex II project. L.K. acknowledges the
Doctoral Programme in Materials Research and Nanosciences and the
National Doctoral Programme in Nanoscience, Finland. B.K. and C.J.B.
acknowledge support from the US Department of Energy, Office of Science,
Basic Energy Sciences, Materials Sciences and Engineering Division.
J.L.T. acknowledges support from the Air Force Office of Scientific
Research under grant #FA9550-14-1-0066 and NSF INSPIRE (CBET-1344298).
We thank Dr. Kimmo Tanhuanpaa and Mr. Mika Molin from the Light
Microscope Unit, Institute of Biotechnology, the University of Helsinki,
Finland for a technical guidance with confocal microscopy and image
analysis. Ms. Maria Aatonen and Maria Semenova from the Department of
Biosciences, Faculty of Biological and Environmental Sciences,
University of Helsinki, Finland are gratefully thanked for their help
with flow cytometry analysis. We also would like to thank Erja
Piitulainen and Leena Pietila for their kind laboratory assistance.
NR 39
TC 2
Z9 2
U1 1
U2 20
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2045-2322
J9 SCI REP-UK
JI Sci Rep
PD SEP 1
PY 2015
VL 5
AR 13635
DI 10.1038/srep13635
PG 9
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA CQ1MF
UT WOS:000360361100001
PM 26323570
ER
PT J
AU Mustafi, D
Gleber, SC
Ward, J
Dougherty, U
Zamora, M
Markiewicz, E
Binder, DC
Antic, T
Vogt, S
Karczmar, GS
Oto, A
AF Mustafi, Devkumar
Gleber, Sophie-Charlotte
Ward, Jesse
Dougherty, Urszula
Zamora, Marta
Markiewicz, Erica
Binder, David C.
Antic, Tatjana
Vogt, Stefan
Karczmar, Gregory S.
Oto, Aytekin
TI IV Administered Gadodiamide Enters the Lumen of the Prostatic Glands:
X-Ray Fluorescence Microscopy Examination of a Mouse Model
SO AMERICAN JOURNAL OF ROENTGENOLOGY
LA English
DT Article
DE dynamic contrast-enhanced MRI; gadodiamide distribution in prostatic
tissues; mouse prostate; prostatic lumen; x-ray fluorescence microscopy
ID CONTRAST-ENHANCED MRI; CANCER DETECTION; PARAMETERS; METAANALYSIS;
CARCINOMA; TISSUES
AB OBJECTIVE. Dynamic contrast-enhanced MRI (DCE-MRI) has become a standard component of multiparametric protocols for MRI examination of the prostate, and its use is incorporated into current guidelines for prostate MRI examination. Analysis of DCE-MRI data for the prostate is usually based on the distribution of gadolinium-based agents, such as gadodiamide, into two well-mixed compartments, and it assumes that gadodiamide does not enter into the glandular lumen. However, this assumption has not been directly tested. The purpose of this study was to use x-ray fluorescence microscopy (XFM) imaging in situ to measure the concentration of gadodiamide in the epithelia and lumens of the prostate of healthy mice after IV injection of the contrast agent.
MATERIALS AND METHODS. Six C57Bl6 male mice (age, 28 weeks) were sacrificed 10 minutes after IV injection of gadodiamide (0.13 mmol/kg), and three mice were sacrificed after saline injection. Prostate tissue samples obtained from each mouse were harvested and frozen; 7-mu m-thick slices were sectioned for XFM imaging, and adjacent 5-mu m-thick slices were sectioned for H and E staining. Elemental concentrations were determined from XFM images.
RESULTS. A mean (+/- SD) baseline concentration of gadolinium of 0.01 +/- 0.01 mM was determined from XFM measurements of prostatic tissue samples when no gadodiamide was administered, and it was used to determine the measurement error. When gadodiamide was added, the mean concentrations of gadolinium in the epithelia and lumens in 32 prostatic glands from six mice were 1.00 +/- 0.13 and 0.36 +/- 0.09 mM, respectively.
CONCLUSION. Our data suggest that IV administration of gadodiamide results in uptake of contrast agent by the glandular lumens of the mouse prostate. We were able to quantitatively determine gadodiamide distributions in mouse prostatic epithelia and lumens.
C1 [Mustafi, Devkumar; Zamora, Marta; Markiewicz, Erica; Binder, David C.; Karczmar, Gregory S.; Oto, Aytekin] Univ Chicago, Dept Radiol, Chicago, IL 60637 USA.
[Gleber, Sophie-Charlotte; Ward, Jesse; Vogt, Stefan] Argonne Natl Lab, Adv Proton Source, Lemont, IL USA.
[Dougherty, Urszula] Univ Chicago, Dept Med, Chicago, IL 60637 USA.
[Antic, Tatjana] Univ Chicago, Dept Pathol, Chicago, IL 60637 USA.
RP Mustafi, D (reprint author), Univ Chicago, Dept Radiol, 920 E 58th St,CLSC 109, Chicago, IL 60637 USA.
EM dmustafi@uchicago.edu
RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013
OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513
FU National Institutes of Health [R01-172801, R01-CA133490]; Specialized
Programs of Research Excellence grant at the University of Chicago -
National Cancer Institute; U.S. Department of Energy [DE-AC02-06CH11357]
FX Supported by the National Institutes of Health (grants R01-172801 and
R01-CA133490) and a Specialized Programs of Research Excellence grant at
the University of Chicago funded by the National Cancer Institute. Use
of the Advanced Photon Source, an Office of Science user facility
operated for the U.S. Department of Energy Office of Science by Argonne
National Laboratory, was supported by the U.S. Department of Energy
(contract DE-AC02-06CH11357).
NR 23
TC 1
Z9 1
U1 0
U2 5
PU AMER ROENTGEN RAY SOC
PI RESTON
PA 1891 PRESTON WHITE DR, SUBSCRIPTION FULFILLMENT, RESTON, VA 22091 USA
SN 0361-803X
EI 1546-3141
J9 AM J ROENTGENOL
JI Am. J. Roentgenol.
PD SEP
PY 2015
VL 205
IS 3
BP W313
EP W319
DI 10.2214/AJR.14.14055
PG 7
WC Radiology, Nuclear Medicine & Medical Imaging
SC Radiology, Nuclear Medicine & Medical Imaging
GA CP6KW
UT WOS:000359997100010
PM 26295667
ER
PT J
AU Hlavsa, MC
Roberts, VA
Kahler, AM
Hilborn, ED
Mecher, TR
Beach, MJ
Wade, TJ
Yoder, JS
AF Hlavsa, Michele C.
Roberts, Virginia A.
Kahler, Amy M.
Hilborn, Elizabeth D.
Mecher, Taryn R.
Beach, Michael J.
Wade, Timothy J.
Yoder, Jonathan S.
TI Outbreaks of Illness Associated with Recreational Water-United States,
2011-2012
SO AMERICAN JOURNAL OF TRANSPLANTATION
LA English
DT Editorial Material
ID CRYPTOSPORIDIOSIS
C1 [Hlavsa, Michele C.; Roberts, Virginia A.; Kahler, Amy M.; Mecher, Taryn R.; Beach, Michael J.; Yoder, Jonathan S.] CDC, Div Foodborne Waterborne & Environm Dis, Natl Ctr Emerging & Zoonot Infect Dis, Atlanta, GA 30333 USA.
[Mecher, Taryn R.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Hlavsa, MC (reprint author), CDC, Div Foodborne Waterborne & Environm Dis, Natl Ctr Emerging & Zoonot Infect Dis, Atlanta, GA 30333 USA.
EM mhlavsa@cdc.gov
NR 10
TC 0
Z9 0
U1 3
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1600-6135
EI 1600-6143
J9 AM J TRANSPLANT
JI Am. J. Transplant.
PD SEP
PY 2015
VL 15
IS 9
BP 2517
EP 2521
DI 10.1111/ajt.13473
PG 5
WC Surgery; Transplantation
SC Surgery; Transplantation
GA CP7JD
UT WOS:000360062300030
ER
PT J
AU Mearls, EB
Olson, DG
Herring, CD
Lynd, LR
AF Mearls, Elizabeth B.
Olson, Daniel G.
Herring, Christopher D.
Lynd, Lee R.
TI Development of a regulatable plasmid-based gene expression system for
Clostridium thermocellum
SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY
LA English
DT Article
DE Laminaribiose; Inducible promoter; Biofuels; Spore formation
ID ESCHERICHIA-COLI; BACILLUS-SUBTILIS; HISTIDINE KINASES; ARABAD PROMOTER;
ENDOGLUCANASE-C; LAC REPRESSOR; ATCC 27405; SPORULATION; ACETOBUTYLICUM;
TRANSFORMATION
AB Clostridium thermocellum can rapidly solubilize cellulose and produces ethanol as an end product of its metabolism. As such, it is a candidate for bioethanol production from plant matter. In this study, we developed an inducible expression system for C. thermocellum based on its native celC operon. We enhanced expression over the native operon structure by placing the repressor gene, glyR3, immediately after the celC promoter, and expressing the target gene after glyR3. Upon the addition of the inducer substrate, laminaribiose, an approximately 40-fold increase in gene expression was obtained using the test gene spo0A. Furthermore, induction of the sporulation histidine kinase, clo1313_1942, increased sporulation frequency by approximately 10,000-fold relative to an uninduced control. We have also shown that the laminaribiose (beta 1-3-linked carbon source) utilization pathway is not catabolite repressed by cellobiose, a beta 1-4-linked carbon source frequently used for C. thermocellum cultivation in laboratory conditions. Selective expression of target genes has the potential to inform metabolic engineering strategies as well as increase fundamental understanding of C. thermocellum biology.
C1 [Mearls, Elizabeth B.; Olson, Daniel G.; Herring, Christopher D.; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA.
[Mearls, Elizabeth B.; Olson, Daniel G.; Lynd, Lee R.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
[Herring, Christopher D.] Mascoma Corp, Lebanon, NH 03766 USA.
RP Lynd, LR (reprint author), Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA.
EM lee.r.lynd@dartmouth.edu
FU BioEnergy Science Center (BESC), Oak Ridge National Laboratory, a US
Department of Energy (DOE) BioEnergy Research Center - Office of
Biological and Environmental Research in the DOE Office of Science;
Mascoma Corporation
FX This research was supported by a grant from the BioEnergy Science Center
(BESC), Oak Ridge National Laboratory, a US Department of Energy (DOE)
BioEnergy Research Center supported by the Office of Biological and
Environmental Research in the DOE Office of Science.; Portions of this
research were performed during an internship at the Mascoma Corporation.
We would like to thank the Mascoma Corporation for their generous gift
of strain M1726 and for their support during the duration of this work.
NR 50
TC 1
Z9 1
U1 0
U2 17
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0175-7598
EI 1432-0614
J9 APPL MICROBIOL BIOT
JI Appl. Microbiol. Biotechnol.
PD SEP
PY 2015
VL 99
IS 18
BP 7589
EP 7599
DI 10.1007/s00253-015-6610-5
PG 11
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA CP7SI
UT WOS:000360087900016
PM 25994254
ER
PT J
AU Overman, NR
Overman, CT
Edwards, DJ
Hoppe, EW
AF Overman, N. R.
Overman, C. T.
Edwards, D. J.
Hoppe, E. W.
TI Mechanical property anisotropy in ultra-thick copper electrodeposits
SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
LA English
DT Article
AB Electroplating was used as a purification method and produced thick (3.2-12.2 mm) copper deposits of ultra-high radiopurity. Due to the extreme thickness of these electrodeposits compared to traditional electroplating, characterization is necessary to prevent costly failures and ensure device reliability. The deposition rate was carefully controlled to maintain a uniform growth front and required plating for a continuous 8 months in order to produce the 12.2-mm-thick copper specimen. Tensile testing shows the electroplated copper to exhibit significant strain hardening as would be expected with face-centered cubic materials, indicating that the material is free of significant defects and voids. Testing of eight tensile samples machined according to ASTM-E8 specifications exhibited yield strengths of 95 +/- A 4 MPa. Hardness was measured to be 79.8 +/- A 5.3 HV using a 200-gf load. Microstructure and deformation showed the grains to be highly aligned with respect to the growth direction, and electron backscatter diffraction showed the development of a (110) texture.
C1 [Overman, N. R.; Overman, C. T.; Edwards, D. J.; Hoppe, E. W.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Overman, NR (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM Nicole.Overman@pnnl.gov; Cory.Overman@pnnl.gov; Dan.Edwards@pnnl.gov;
Eric.Hoppe@pnnl.gov
FU United States Department of Energy, Office of Nuclear Physics
[DE-FG02-97ER41041]; United States Department of Energy
[DE-AC05-76RL01830]; MAJORANA Collaboration
FX The authors wish to thank the United States Department of Energy, Office
of Nuclear Physics under Grant DE-FG02-97ER41041 for support of this
work. Pacific Northwest National Laboratory is operated for the United
States Department of Energy by Battelle Memorial Institute under
contract DE-AC05-76RL01830. Support from the MAJORANA Collaboration is
gratefully acknowledged along with the experimental assistance and
helpful discussion of Stan Pitman, Mike Dahl and Tyler Kafentzis.
NR 27
TC 1
Z9 1
U1 1
U2 8
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0947-8396
EI 1432-0630
J9 APPL PHYS A-MATER
JI Appl. Phys. A-Mater. Sci. Process.
PD SEP
PY 2015
VL 120
IS 3
BP 1181
EP 1187
DI 10.1007/s00339-015-9298-6
PG 7
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CO8QS
UT WOS:000359435900046
ER
PT J
AU Alexander, FJ
Meneveau, C
AF Alexander, Francis J.
Meneveau, Charles
TI Open Simulation Laboratories
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Editorial Material
C1 [Alexander, Francis J.] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA.
[Meneveau, Charles] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA.
[Meneveau, Charles] Johns Hopkins Univ, IDIES, Baltimore, MD 21218 USA.
RP Alexander, FJ (reprint author), Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Los Alamos, NM 87545 USA.
EM fja@lanl.gov; meneveau@jhu.edu
NR 0
TC 0
Z9 0
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 1521-9615
EI 1558-366X
J9 COMPUT SCI ENG
JI Comput. Sci. Eng.
PD SEP-OCT
PY 2015
VL 17
IS 5
BP 7
EP 9
PG 3
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA CP6WR
UT WOS:000360029400002
ER
PT J
AU Madduri, R
Rodriguez, A
Uram, T
Heitmann, K
Malik, T
Sehrish, S
Chard, R
Cholia, S
Paterno, M
Kowalkowski, J
Habib, S
AF Madduri, Ravi
Rodriguez, Alex
Uram, Thomas
Heitmann, Katrin
Malik, Tanu
Sehrish, Saba
Chard, Ryan
Cholia, Shreyas
Paterno, Marc
Kowalkowski, Jim
Habib, Salman
TI PDACS: A Portal for Data Analysis Services for Cosmological Simulations
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Article
AB A Web-based analysis portal provides access both to large simulations and parallel analysis tools and to opportunities to access, transfer, manipulate,search, and record simulation data. The system allows for cross-layer provenance tracking and implementing a transparent method for sharing workflow specifications, offering a convenient mechanism fort checking reproducibility.
C1 [Madduri, Ravi] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA.
[Rodriguez, Alex] Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
[Uram, Thomas] Argonne Natl Lab, Argonne, IL 60439 USA.
[Heitmann, Katrin] Argonne Natl Lab, High Energy Phys & Math & Computat Sci Div, Argonne, IL 60439 USA.
[Malik, Tanu] Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
[Malik, Tanu] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA.
[Sehrish, Saba] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Chard, Ryan] Victoria Univ Wellington, Sch Engn & Comp Sci, Wellington, New Zealand.
[Cholia, Shreyas] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
[Paterno, Marc] Fermilab Natl Accelerator Lab, Tools & Adv Comp Grp, Div Comp Sci, Batavia, IL 60510 USA.
[Kowalkowski, Jim] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Habib, Salman] Argonne Natl Lab, High Energy Phys Div, Argonne, IL 60439 USA.
[Habib, Salman] Argonne Natl Lab, Math & Computat Sci Div, Argonne, IL 60439 USA.
RP Madduri, R (reprint author), Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA.
EM madduri@anl.gov; arodri7@uchicago.edu; turam@anl.gov; heitmann@-anl.gov;
tanum@ci.uchicago.edu; ssehrish@fnal.gov; ryan@ecs.vuw.ac.nz;
scholia@lbl.gov; paterno@fnal.gov; jbk@fnal.gov; habib@anl.gov
FU US Department of Energy, Basic Energy Sciences, Office of Science
[DE-AC02-06CH11357]
FX We were supported by the US Department of Energy, Basic Energy Sciences,
Office of Science, under contract number DE-AC02-06CH11357. Initial
support for PDACS development was provided by the US Department of
Energy, High Energy Physics. This research used resources at ALCF,
Argonne National Laboratory, NERSC, Lawrence Berkeley National
Laboratory, and OLCF, Oak Ridge National Laboratory.
NR 9
TC 0
Z9 0
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 1521-9615
EI 1558-366X
J9 COMPUT SCI ENG
JI Comput. Sci. Eng.
PD SEP-OCT
PY 2015
VL 17
IS 5
BP 18
EP 26
PG 9
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA CP6WR
UT WOS:000360029400004
ER
PT J
AU Wolf, L
Collins, J
AF Wolf, Laura
Collins, Jim
TI Putting Regional Climate Prediction in Reach
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Editorial Material
C1 [Wolf, Laura; Collins, Jim] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Wolf, L (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA.
EM lwolf@anl.gov; jcollins@anl.gov
NR 0
TC 0
Z9 0
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 1521-9615
EI 1558-366X
J9 COMPUT SCI ENG
JI Comput. Sci. Eng.
PD SEP-OCT
PY 2015
VL 17
IS 5
BP 49
EP 51
PG 3
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA CP6WR
UT WOS:000360029400008
ER
PT J
AU Cao, FY
Shi, ZM
Song, GL
Liu, M
Dargusch, MS
Atrens, A
AF Cao, Fuyong
Shi, Zhiming
Song, Guang-Ling
Liu, Ming
Dargusch, Matthew S.
Atrens, Andrej
TI Stress corrosion cracking of several hot-rolled binary Mg-X alloys
SO CORROSION SCIENCE
LA English
DT Article
DE Magnesium; SEM; Hydrogen embrittlement; Stress corrosion
ID AZ31 MAGNESIUM ALLOY; SLOW STRAIN-RATE; HYDROGEN EMBRITTLEMENT; PURE
MAGNESIUM; AL ALLOYS; CRYSTALLOGRAPHIC ORIENTATION; PHYSIOLOGICAL
ENVIRONMENT; BEHAVIOR; SCC; MECHANISM
AB The stress corrosion cracking (SCC) of hot-rolled Mg0.1Zr, Mg0.1Sr, Mg1Mn, Mg0.3Si, Mg5Sn, Mg0.7La, Mg0.9Ce, Mg0.6Nd, Mg6Al, Mg5Gd and Mg0.3Ca in distilled water (DW) was studied using the linearly increasing stress test (LIST). Hot-rolled Mg1Mn and Mg0.7La had some SCC susceptibility in DW. All the other hot-rolled Mg-X alloys had little SCC susceptibility in DW. There was no obvious difference of the fractography between the specimens tested in air and in DW. The increase of SCC resistance by hot-rolling was related to improvement of the microstructure. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Cao, Fuyong; Shi, Zhiming; Song, Guang-Ling; Dargusch, Matthew S.; Atrens, Andrej] Univ Queensland, Sch Mech & Min Engn, Mat Engn, Brisbane, Qld 4072, Australia.
[Shi, Zhiming; Dargusch, Matthew S.] Univ Queensland, Ctr Adv Mat Proc & Mfg AMPAM, Brisbane, Qld 4072, Australia.
[Song, Guang-Ling] Oak Ridge Natl Lab, Corros Sci & Technol, Oak Ridge, TN 37831 USA.
[Liu, Ming] GM China Sci Lab, Shanghai 201206, Peoples R China.
RP Atrens, A (reprint author), Univ Queensland, Sch Mech & Min Engn, Mat Engn, Brisbane, Qld 4072, Australia.
EM Andrejs.Atrens@uq.edu.au
RI Song, Guang-Ling/D-9540-2013; Atrens, Andrejs/I-5850-2013;
OI Song, Guang-Ling/0000-0002-9802-6836; Atrens,
Andrejs/0000-0003-0671-4082; Dargusch, Matthew/0000-0003-4336-5811
FU Australian Research Council Centre of Excellence Design of Light Alloys
[CE0561574]; GM Global Research and Development; China Scholarship
Council under State Scholarship Fund
FX This research was supported by the Australian Research Council Centre of
Excellence Design of Light Alloys, CE0561574, and GM Global Research and
Development. Nicole Stanford and Mohan Setty are thanked for carrying
out the hot rolling of the Mg-X alloys at the Institute for Frontier
Materials, Deakin University, Geelong Waurn Ponds Campus, Vic 3220,
Australia. Thanks to the China Scholarship Council to provide a
scholarship under the State Scholarship Fund to Fuyong Cao. The authors
acknowledge the facilities and the scientific and technical assistance
of the Australian Microscopy & Microanalysis Research Facility at the
Centre for Microscopy & Microanalysis, The University of Queensland.
NR 55
TC 3
Z9 4
U1 3
U2 26
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0010-938X
EI 1879-0496
J9 CORROS SCI
JI Corrosion Sci.
PD SEP
PY 2015
VL 98
BP 6
EP 19
DI 10.1016/j.corsci.2015.04.023
PG 14
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CO9OH
UT WOS:000359504600002
ER
PT J
AU Chen, T
Nutter, J
Sai, JS
Hawk, J
Liu, XB
AF Chen, Ting
Nutter, Jared
Sai, Jingsheng
Hawk, Jeffrey
Liu, Xingbo
TI Corrosion fatigue crack growth behavior of oil-grade nickel-base alloy
718. Part 2: Effect of aging treatment
SO CORROSION SCIENCE
LA English
DT Article
DE Superalloys; SEM; TEM; Polarization; Pitting corrosion; Corrosion
fatigue
ID HEAT-TREATMENT; SURFACE MODIFICATIONS; ELEVATED-TEMPERATURE; GRAIN-SIZE;
MICROMECHANISMS; SUPERALLOY; MICROSTRUCTURE; 650-DEGREES-C; DEFORMATION;
PROPAGATION
AB The influence of aging treatment on microstructure and corrosion fatigue crack growth (CFCG) behavior of oil-grade nickel-base alloy 718 is investigated. The average grain size of alloy 718 increases after aging treatment. Isolated platelet delta phases are precipitated at some of the grain boundaries in aged specimens. The one-step aged specimen shows a uniform distribution of fine spherical gamma' and elongated gamma '' precipitates. However, the two-step aged sample shows much finer gamma '' precipitates. Aging treatment leads to lower CFCG rates of alloy 718. Nevertheless, no visible difference of CFCG rates is observed between one-step aged and two-step aged specimens. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Chen, Ting; Nutter, Jared; Hawk, Jeffrey; Liu, Xingbo] Natl Energy Technol Lab, Albany, OR 97321 USA.
[Chen, Ting; Nutter, Jared; Liu, Xingbo] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA.
[Chen, Ting] SET Labs Inc, Stafford, TX 77477 USA.
[Sai, Jingsheng] Inst Met Sci & Technol, Shenyang 110015, Peoples R China.
RP Liu, XB (reprint author), W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA.
EM xingbo.liu@mail.wvu.edu
OI Liu, Xingbo/0000-0001-8720-7175
FU National Energy Technology Laboratory under the RES [DE-FE000400]
FX This technical effort was performed in support of the National Energy
Technology Laboratory's ongoing research in materials for ultra-deep
drilling under the RES contract DE-FE000400. The authors appreciate Dr.
Hendrik John and Mr. John Stevens from Baker Hughes for providing the
specimens used in this study, and Prof. Lei Lu from Institute of Metal
Research for her support on our TEM investigations. We acknowledge use
of the WVU Shared Research Facilities.
NR 36
TC 1
Z9 1
U1 2
U2 8
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0010-938X
EI 1879-0496
J9 CORROS SCI
JI Corrosion Sci.
PD SEP
PY 2015
VL 98
BP 280
EP 290
DI 10.1016/j.corsci.2015.05.033
PG 11
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CO9OH
UT WOS:000359504600029
ER
PT J
AU Song, GL
Unocic, KA
AF Song, Guang-Ling
Unocic, Kinga A.
TI The anodic surface film and hydrogen evolution on Mg
SO CORROSION SCIENCE
LA English
DT Article
DE Magnesium; EIS; TEM; SEM; Anodic dissolution; Negative difference effect
ID MAGNESIUM ALLOYS; PURE MAGNESIUM; ELECTROCHEMICAL CORROSION; ATMOSPHERIC
CORROSION; ALKALINE-SOLUTIONS; WATER; AZ31; BEHAVIOR; DISSOLUTION;
EXPOSURE
AB This study clarifies that the inner and outer layers of the anodic film consist of a nano/micro-porous MgO + Mg(OH)(2) mixture. The film becomes thicker and more porous with increasing potential. It can rupture when potential is too positive in a non-corrosive Mg(OH)(2) solution. Hydrogen evolution becomes more intensive as polarization potential increases, particularly when the potential at the film-covered Mg surface is close to or more positive than the hydrogen equilibrium potential, suggesting that an "anodic hydrogen evolution" (AHE) reaction occurs on the substrate Mg in film pores, and the significantly intensified AHE causes film rupture at high potential. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Song, Guang-Ling; Unocic, Kinga A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Song, GL (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM guangling.song@hotmail.com
RI Song, Guang-Ling/D-9540-2013
OI Song, Guang-Ling/0000-0002-9802-6836
FU U.S. DOE EERE Vehicle Technologies Office; U.S. Department of Energy
[DE-AC05-00OR22725]
FX The research was sponsored by the U.S. DOE EERE Vehicle Technologies
Office. This manuscript has been authored by UT-Battelle, LLC, under
Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The
United States Government retains and the publisher, by accepting the
article for publication, acknowledges that the United States Government
retains a non-exclusive, paid-up, irrevocable, world-wide license to
publish or reproduce the published form of this manuscript, or allow
others to do so, for United States Government purposes. The authors
thank Dr. M.P. Brady, Dr. Jeffery K. Thomson and Dr. Bruce A. Pint for
providing beneficial discussion and useful comments. Ms. T. Lowe's help
in SEM and Ms. S. Curlin's assistance in optical microscopy are
appreciated.
NR 47
TC 14
Z9 14
U1 2
U2 33
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0010-938X
EI 1879-0496
J9 CORROS SCI
JI Corrosion Sci.
PD SEP
PY 2015
VL 98
BP 758
EP 765
DI 10.1016/j.corsci.2015.05.047
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CO9OH
UT WOS:000359504600078
ER
PT J
AU Michalska, K
Steen, AD
Chhor, G
Endres, M
Webber, AT
Bird, J
Lloyd, KG
Joachimiak, A
AF Michalska, Karolina
Steen, Andrew D.
Chhor, Gekleng
Endres, Michael
Webber, Austen T.
Bird, Jordan
Lloyd, Karen G.
Joachimiak, Andrzej
TI New aminopeptidase from "microbial dark matter" archaeon
SO FASEB JOURNAL
LA English
DT Article
DE carbon cycle; marine sediments; single-cell genomics; detrital proteins
ID ACID ESTER HYDROLASE; LIGATION-INDEPENDENT CLONING; HIGH-THROUGHPUT;
CRYSTAL-STRUCTURE; GENE-EXPRESSION; LIC VECTORS; PROTEINS; MODEL;
CRYSTALLOGRAPHY; PURIFICATION
AB Marine sediments host a large population of diverse, heterotrophic, uncultured microorganisms with unknown physiologies that control carbon flow through organic matter decomposition. Recently, single-cell genomics uncovered new key players in these processes, such as the miscellaneous crenarchaeotal group. These widespread archaea encode putative intra- and extracellular proteases for the degradation of detrital proteins present in sediments. Here, we show that one of these enzymes is a self-compartmentalizing tetrameric aminopeptidase with a preference for cysteine and hydrophobic residues at the N terminus of the hydrolyzed peptide. The ability to perform detailed characterizations of enzymes from native subsurface microorganisms, without requiring that those organisms first be grown in pure culture, holds great promise for understanding key carbon transformations in the environment as well as identifying new enzymes for biomedical and biotechnological applications.
C1 [Michalska, Karolina; Chhor, Gekleng; Endres, Michael; Joachimiak, Andrzej] Argonne Natl Lab, Biosci Div, Midwest Ctr Struct Genom, Argonne, IL 60439 USA.
[Michalska, Karolina; Joachimiak, Andrzej] Argonne Natl Lab, Biosci Div, Struct Biol Ctr, Argonne, IL 60439 USA.
[Steen, Andrew D.; Bird, Jordan; Lloyd, Karen G.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA.
[Steen, Andrew D.; Webber, Austen T.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN USA.
[Joachimiak, Andrzej] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA.
RP Joachimiak, A (reprint author), Argonne Natl Lab, Biosci Div, Struct Biol Ctr, 9700 South Cass Ave,Bldg 446, Argonne, IL 60439 USA.
EM andrzejj@anl.gov
OI Bird, Jordan/0000-0001-5753-6058
FU U.S. National Institutes of Health, National Institute of General
Medical Sciences [GM094585]; U.S. Department of Energy, Office of
Biological and Environmental Research [DE-AC02-06CH11357]; Center for
Dark Energy Biosphere Investigations [157595, 36202823]; U.S. Department
of Energy Office of Science laboratory [DE-AC02-06CH11357]
FX The authors thank Dr. Robert Jedrzejczak (Argonne National Laboratory)
for discussion of cloning strategy, Dr. Gyorgy Babnigg (Argonne National
Laboratory) for help in designing the cloning construct, Katlyn Fayman
(Argonne National Laboratory) for help with protein purification,
members of the Structural Biology Center at Argonne National Laboratory
for their help with data collection at the 19-Insertion Device Beamline,
Dr. Steven Wilhelm (University of Tennessee Department of Microbiology)
for provision of lab space to A.D.S., and Dr. B. B. Jorgensen and the
staff of the Center for Geomicrobiology at Aarhus University (Aarhus,
Denmark) for providing amplified genomic deoxyribonucleic acid. This
work was supported by the following funds: U.S. National Institutes of
Health, National Institute of General Medical Sciences Grant GM094585
(to A.J.); the U.S. Department of Energy, Office of Biological and
Environmental Research, under contract DE-AC02-06CH11357 (to A.J.); and
Center for Dark Energy Biosphere Investigations Grants 157595 (to
K.G.L.) and 36202823 (to A.D.S.). This work is Center for Dark Energy
Biosphere Investigation Contribution 268. The submitted manuscript has
been created by UChicago Argonne, Limited Liability Company, Operator of
Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of
Energy Office of Science laboratory, is operated under Contract No.
DE-AC02-06CH11357. The U.S. Government retains for itself, and others
acting on its behalf, a paid-up nonexclusive, irrevocable worldwide
license in said article to reproduce, prepare derivative works,
distribute copies to the public, and perform publicly and display
publicly, by or on behalf of the Government.
NR 41
TC 1
Z9 1
U1 3
U2 17
PU FEDERATION AMER SOC EXP BIOL
PI BETHESDA
PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA
SN 0892-6638
EI 1530-6860
J9 FASEB J
JI Faseb J.
PD SEP
PY 2015
VL 29
IS 9
BP 4071
EP 4079
DI 10.1096/fj.15-272906
PG 9
WC Biochemistry & Molecular Biology; Biology; Cell Biology
SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other
Topics; Cell Biology
GA CP5IU
UT WOS:000359915600040
PM 26062601
ER
PT J
AU Glinsky, ME
Cortis, A
Chen, J
Sassen, D
Rael, H
AF Glinsky, Michael E.
Cortis, Andrea
Chen, Jinsong
Sassen, Doug
Rael, Howard
TI Geomechanical property estimation of unconventional reservoirs using
seismic data and rock physics
SO GEOPHYSICAL PROSPECTING
LA English
DT Article
DE Quantitative interpretation; Rock physics; Seismics; Multi-component;
Unconventional reservoir; Inverse problem
ID LINEAR AVO APPROXIMATION; AMPLITUDE ANALYSIS; ELASTIC PROPERTIES; MODEL;
INVERSION; SHALES; PROGRAM
AB An extension of a previously developed rock physics model is made that quantifies the relationship between the ductile fraction of a brittle/ductile binary mixture and the isotropic seismic reflection response. By making a weak scattering (Born) approximation and plane wave (eikonal) approximation, with a subsequent ordering according to the angles of incidence, singular value decomposition analyses are performed to understand the stack weightings, number of stacks, and the type of stacks that will optimally estimate two fundamental rock physics parameters - the ductile fraction and the compaction and/or diagenesis. It is concluded that the full PP stack, i.e., sum of all PP offset traces, and the full PS stack, i.e., linear weighted sum of PS offset traces, are the two optimal stacks needed to estimate the two rock physics parameters. They dominate over both the second-order amplitude variation offset gradient stack, which is a quadratically weighted sum of PP offset traces that is effectively the far offset traces minus the near offset traces, and the higher order fourth order PP stack (even at large angles of incidence). Using this result and model-based Bayesian inversion, the seismic detectability of the ductile fraction (shown by others to be the important rock property for the geomechanical response of unconventional reservoir fracking) is demonstrated on a model characteristic of the Marcellus shale play.
C1 [Glinsky, Michael E.] Geotrace Technol, Houston, TX 77079 USA.
[Cortis, Andrea] AYASDI, Menlo Pk, CA 94025 USA.
[Sassen, Doug; Rael, Howard] ION Geophys, Houston, TX 77042 USA.
[Chen, Jinsong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Glinsky, ME (reprint author), Geotrace Technol, 12141 Wickchester Lane,Suite 200, Houston, TX 77079 USA.
EM glinsky@qitech.biz
RI Chen, Jinsong/A-1374-2009
NR 29
TC 0
Z9 0
U1 1
U2 11
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0016-8025
EI 1365-2478
J9 GEOPHYS PROSPECT
JI Geophys. Prospect.
PD SEP
PY 2015
VL 63
IS 5
BP 1224
EP 1245
DI 10.1111/1365-2478.12211
PG 22
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA CP7NH
UT WOS:000360074400013
ER
PT J
AU Villegas, JC
Dominguez, F
Barron-Gafford, GA
Adams, HD
Guardiola-Claramonte, M
Sommer, ED
Selvey, AW
Espeleta, JF
Zou, CB
Breshears, DD
Huxman, TE
AF Villegas, Juan Camilo
Dominguez, Francina
Barron-Gafford, Greg A.
Adams, Henry D.
Guardiola-Claramonte, Maite
Sommer, Evan D.
Selvey, Ashley Wiede
Espeleta, Javier F.
Zou, Chris B.
Breshears, David D.
Huxman, Travis E.
TI Sensitivity of regional evapotranspiration partitioning to variation in
woody plant cover: insights from experimental dryland tree mosaics
SO GLOBAL ECOLOGY AND BIOGEOGRAPHY
LA English
DT Article
DE Ecohydrology; evapotranspiration; evapotranspiration partitioning;
global change; soil evaporation; surface-atmosphere interaction;
transpiration; vegetation change; woody canopy cover
ID SOIL EVAPORATION; CLIMATE VARIABILITY; MODELING SYSTEM; WATER-CYCLE; SAP
FLOW; TRANSPIRATION; ISOTOPE; FLUX; ENCROACHMENT; COMPONENTS
AB AimMovement of water from the land surface to the atmosphere (evapotranspiration, ET) is the dominant output flux in the global terrestrial surface water budget. The partitioning of ET between soil evaporation (E) and plant transpiration (T) couples important ecological, hydrological and atmospheric processes. ET partitioning has been hypothesized to vary as a function of woody plant cover, yet a relationship between ET partitioning and woody cover has not been quantified empirically. Land surface models assume unit increase in T per unit increase in vegetation cover (woody cover), following a proportional linear relationship. Recent assessments have questioned the validity of this assumption for heterogeneous canopies, but we lack experimental data across an explicitly defined gradient of woody cover to characterize this relationship.
LocationNorth American monsoon region.
MethodsIn a controlled dryland environment experimental facility, we manipulated woody cover and documented the response of ET and its component fluxes. We incorporated the resulting functions into a widely used coupled land-atmosphere model (WRF-Noah) to document the implications of modifying specific model parameters that assume (1:1) proportionality.
ResultsAs total ET increased with woody cover, T/ET deviated below 1:1 proportionality. Using our experimentally determined relationship for ET partitioning and woody cover in the model, we observed reductions in ET of as much as 40% during the monsoon season and annual increases of almost 200% in regional E.
Main conclusionsOur results highlight a limitation of modelled ET that affects regional to global patterns of water flux, with implications for a number of earth surface processes. A better understanding of how changing woody cover influences patch-scale ecohydrological processes is needed, particularly under current changes in woody cover associated with deforestation, afforestation and drought-induced mortality. More specifically, improved representation of E and T fluxes will improve understanding and modelling of large-scale ecological, hydrological and atmospheric processes.
C1 [Villegas, Juan Camilo] Univ Antioquia, Fac Ingn, Escuela Ambiental, Medellin, Colombia.
[Villegas, Juan Camilo; Breshears, David D.] Univ Arizona, Sch Nat Resources & Environm, Tucson, AZ USA.
[Villegas, Juan Camilo; Barron-Gafford, Greg A.; Sommer, Evan D.; Selvey, Ashley Wiede; Espeleta, Javier F.; Breshears, David D.] Univ Arizona, EarthSci B12, Biosphere 2, Tucson, AZ USA.
[Dominguez, Francina] Univ Arizona, Dept Atmospher Sci, Tucson, AZ USA.
[Dominguez, Francina; Guardiola-Claramonte, Maite] Univ Arizona, Dept Hydrol & Water Resources, Tucson, AZ USA.
[Barron-Gafford, Greg A.] Univ Arizona, Sch Geog & Dev, Tucson, AZ USA.
[Adams, Henry D.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM USA.
[Zou, Chris B.] Oklahoma State Univ, Dept Nat Resource Ecol & Management, Stillwater, OK USA.
[Breshears, David D.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ USA.
[Huxman, Travis E.] Univ Calif Irvine, Ecol & Evolutionary Biol, Irvine, CA USA.
[Huxman, Travis E.] Univ Calif Irvine, Ctr Environm Biol, Irvine, CA USA.
RP Villegas, JC (reprint author), Sch Nat Resources & Environm Biol Sci East, Room 325,1311 East 4th St, Tucson, AZ 85721 USA.
EM villegas@email.arizona.edu
RI Dominguez, Francina/D-4412-2012; Zou, Chris/A-5039-2010
OI Zou, Chris/0000-0003-0080-2866
FU Biosphere 2 (B2 Earthscience via Philecology Foundation); NSF
[EF-1340624, EAR-0724958, EAR-1331408]; Universidad de Antioquia -
Estrategia de sostenibilidad
FX We thank Isabel C. Rivera, Darin J. Law, and Biosphere 2 staff, interns
and volunteers for assistance in the completion of the experiment; Peter
A. Troch, Lixin Wang and Kelly K. Caylor for support with design and
analysis; Shirley A. Papuga, Laura Lopez-Hoffman and Brian J. Enquist
for comments on the manuscript. Research was supported by Biosphere 2
(B2 Earthscience via Philecology Foundation) and NSF (Macrosystems
Biology EF-1340624 and the Jemez River Basin - Santa Catalina Mountains
Critical Zone Observatory EAR-0724958 and EAR-1331408). Additional
support for J.C.V. from Universidad de Antioquia - Estrategia de
sostenibilidad 2014-2015.
NR 44
TC 1
Z9 1
U1 6
U2 44
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1466-822X
EI 1466-8238
J9 GLOBAL ECOL BIOGEOGR
JI Glob. Ecol. Biogeogr.
PD SEP
PY 2015
VL 24
IS 9
BP 1040
EP 1048
DI 10.1111/geb.12349
PG 9
WC Ecology; Geography, Physical
SC Environmental Sciences & Ecology; Physical Geography
GA CP4QM
UT WOS:000359867400005
ER
PT J
AU Dewji, SA
Bellamy, M
Hertel, N
Leggett, R
Sherbini, S
Saba, M
Eckerman, K
AF Dewji, Shaheen Azim
Bellamy, Michael
Hertel, Nolan
Leggett, Richard
Sherbini, Sami
Saba, Mohammad
Eckerman, Keith
TI ASSESSMENT OF THE POINT-SOURCE METHOD FOR ESTIMATING DOSE RATES TO
MEMBERS OF THE PUBLIC FROM EXPOSURE TO PATIENTS WITH I-131 THYROID
TREATMENT
SO HEALTH PHYSICS
LA English
DT Article
ID THERAPY
AB The U.S. Nuclear Regulatory Commission (USNRC) initiated a contract with Oak Ridge National Laboratory (ORNL) to calculate radiation dose rates to members of the public that may result from exposure to patients recently administered iodine-131 (I-131) as part of medical therapy. The main purpose was to compare dose rate estimates based on a point source and target with values derived from more realistic simulations of a human source and target. The latter simulations considered the time-dependent distribution of I-131 in the patient and attenuation of emitted photons by the patient's tissues. The external dose rate estimates were derived using Monte Carlo methods and two representations of the Phantom with Movable Arms and Legs (PIMAL), previously developed by ORNL and the USNRC, to model the patient and a nearby member of the public. Dose rates to tissues and effective dose rates were calculated for distances ranging from 10 cm to 300 cm between the phantoms. Dose rates estimated from these simulations are compared to estimates based on the point-source method, as well as to results of previous studies that estimated exposure from I-131 patients. The point-source method overestimates dose rates to members of the public in very close proximity to an I-131 patient but is a broadly accurate method of dose rate estimation at separation distances of 300 cm or more at times closer to administration.
C1 [Dewji, Shaheen Azim; Bellamy, Michael; Hertel, Nolan; Leggett, Richard; Eckerman, Keith] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Hertel, Nolan] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Sherbini, Sami; Saba, Mohammad] US Nucl Regulatory Commiss, Washington, DC 20555 USA.
RP Dewji, SA (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,MS-6335, Oak Ridge, TN 37831 USA.
EM dewjisa@ornl.gov
RI Dewji, Shaheen/J-6634-2016
OI Dewji, Shaheen/0000-0002-3699-5877
FU United States Nuclear Regulatory Commission [NRC-HQ-60-11-D-0024]; Oak
Ridge National Laboratory
FX This work was funded by the United States Nuclear Regulatory Commission
under contract number NRC-HQ-60-11-D-0024 with Oak Ridge National
Laboratory.
NR 14
TC 1
Z9 1
U1 0
U2 2
PU LIPPINCOTT WILLIAMS & WILKINS
PI PHILADELPHIA
PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA
SN 0017-9078
EI 1538-5159
J9 HEALTH PHYS
JI Health Phys.
PD SEP
PY 2015
VL 109
IS 3
BP 233
EP 241
DI 10.1097/HP.0000000000000327
PG 9
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 CO9JI
UT WOS:000359491100007
PM 26222218
ER
PT J
AU Yue, HW
Wang, MM
Wang, SP
Gilbert, JA
Sun, X
Wu, LW
Lin, QY
Hu, YG
Li, XZ
He, ZL
Zhou, JZ
Yang, YF
AF Yue, Haowei
Wang, Mengmeng
Wang, Shiping
Gilbert, Jack A.
Sun, Xin
Wu, Linwei
Lin, Qiaoyan
Hu, Yigang
Li, Xiangzhen
He, Zhili
Zhou, Jizhong
Yang, Yunfeng
TI The microbe-mediated mechanisms affecting topsoil carbon stock in
Tibetan grasslands
SO ISME JOURNAL
LA English
DT Article
ID CLIMATE-CHANGE; COMMUNITY STRUCTURE; BIOGEOCHEMICAL CYCLES; ALPINE
MEADOW; SOIL; NITROGEN; PLATEAU; RESPONSES; GRADIENT; TUNDRA
AB Warming has been shown to cause soil carbon (C) loss in northern grasslands owing to accelerated microbial decomposition that offsets increased grass productivity. Yet, a multi-decadal survey indicated that the surface soil C stock in Tibetan alpine grasslands remained relatively stable. To investigate this inconsistency, we analyzed the feedback responses of soil microbial communities to simulated warming by soil transplant in Tibetan grasslands. Whereas microbial functional diversity decreased in response to warming, microbial community structure did not correlate with changes in temperature. The relative abundance of catabolic genes associated with nitrogen (N) and C cycling decreased with warming, most notably in genes encoding enzymes associated with more recalcitrant C substrates. By contrast, genes associated with C fixation increased in relative abundance. The relative abundance of genes associated with urease, glutamate dehydrogenase and ammonia monoxygenase (ureC, gdh and amoA) were significantly correlated with N2O efflux. These results suggest that unlike arid/semiarid grasslands, Tibetan grasslands maintain negative feedback mechanisms that preserve terrestrial C and N pools. To examine whether these trends were applicable to the whole plateau, we included these measurements in a model and verified that topsoil C stocks remained relatively stable. Thus, by establishing linkages between microbial metabolic potential and soil biogeochemical processes, we conclude that long-term C loss in Tibetan grasslands is ameliorated by a reduction in microbial decomposition of recalcitrant C substrates.
C1 [Yue, Haowei; Wang, Mengmeng; Sun, Xin; Wu, Linwei; Zhou, Jizhong; Yang, Yunfeng] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
[Wang, Shiping] Chinese Acad Sci, Inst Tibetan Plateau Res, Key Lab Alpine Ecol & Biodivers, Beijing, Peoples R China.
[Wang, Shiping] CAS Ctr Excellence Tibetan Plateau Earth Sci, Beijing, Peoples R China.
[Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310003, Zhejiang, Peoples R China.
[Lin, Qiaoyan; Hu, Yigang] Chinese Acad Sci, Northwest Inst Plateau Biol, Key Lab Adapt & Evolut Plateau Biota, Xining, Peoples R China.
[Hu, Yigang] Chinese Acad Sci, Cold & Arid Reg & Environm & Engn Res Inst, Shapotou Desert Expt & Res Stn, Lanzhou, Peoples R China.
[Li, Xiangzhen] Chinese Acad Sci, Chengdu Inst Biol, Key Lab Environm & Appl Microbiol, Beijing 100864, Sichuan, Peoples R China.
[Li, Xiangzhen] Chinese Acad Sci, Chengdu Inst Biol, Environm Microbiol Key Lab Sichuan Prov, Beijing 100864, Sichuan, Peoples R China.
[He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA.
[He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.
[Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Zhou, Jizhong] Tsinghua Univ, Sch Environm, Collaborat Innovat Ctr Reg Environm Qual, Beijing 100084, Peoples R China.
RP Yang, YF (reprint author), Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
EM yangyf@tsinghua.edu.cn
FU National Key Basic Research Program of China [2013CB956601]; Major
Science and Technology Program for Water Pollution Control and Treatment
[2013ZX07315-001-03]; Strategic Priority Research Program of the Chinese
Academy of Sciences [XDB15010102]; National High Technology Research and
Development Program of China [2012AA061401]; National Science Foundation
of China [41471202, 41230750, 41430856]; National Basic Research Program
[2013CB956000]; US Department of Energy [DE-SC0004601]; US National
Science Foundation [EF-1065844]
FX The authors wish to thank Haibei Research Station staff for sampling,
Hao Yu for GeoChip assistance and the two anonymous reviewers and the
editor for constructive comments and suggestion to make this manuscript
greatly improved. This research was supported by grants to Yunfeng Yang
from the National Key Basic Research Program of China (2013CB956601),
Major Science and Technology Program for Water Pollution Control and
Treatment (2013ZX07315-001-03), the Strategic Priority Research Program
of the Chinese Academy of Sciences (XDB15010102), National High
Technology Research and Development Program of China (2012AA061401) and
National Science Foundation of China (41471202), to Shiping Wang from
the National Basic Research Program (2013CB956000) and National Science
Foundation of China (41230750) and to Jizhong Zhou from the National
Science Foundation of China (41430856). The development of GeoChip and
associated pipelines used in this study was supported by the US
Department of Energy (DE-SC0004601) and the US National Science
Foundation (EF-1065844) to Jizhong Zhou.
NR 46
TC 9
Z9 10
U1 33
U2 111
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD SEP
PY 2015
VL 9
IS 9
BP 2012
EP 2020
DI 10.1038/ismej.2015.19
PG 9
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA CP6SW
UT WOS:000360019500010
PM 25689025
ER
PT J
AU Liu, J
Yan, R
Zhong, Q
Ngo, S
Bangayan, NJ
Nguyen, L
Lui, T
Liu, MS
Erfe, MC
Craft, N
Tomida, S
Li, HY
AF Liu, Jared
Yan, Riceley
Zhong, Qiao
Ngo, Sam
Bangayan, Nathanael J.
Nguyen, Lin
Lui, Timothy
Liu, Minghsun
Erfe, Marie C.
Craft, Noah
Tomida, Shuta
Li, Huiying
TI The diversity and host interactions of Propionibacterium acnes
bacteriophages on human skin
SO ISME JOURNAL
LA English
DT Article
ID GENOME SEQUENCE; PSEUDOMONAS-AERUGINOSA; CUTANEOUS BACTERIAL; HUMAN
MICROBIOME; DEFENSE SYSTEM; IMMUNE-SYSTEM; VIRUSES; DNA; COMMUNITY;
PHAGE
AB The viral population, including bacteriophages, is an important component of the human microbiota, yet is poorly understood. We aim to determine whether bacteriophages modulate the composition of the bacterial populations, thus potentially playing a role in health or disease. We investigated the diversity and host interactions of the bacteriophages of Propionibacterium acnes, a major human skin commensal implicated in acne pathogenesis. By sequencing 48 P. acnes phages isolated from acne patients and healthy individuals and by analyzing the P. acnes phage populations in healthy skin metagenomes, we revealed that P. acnes phage populations in the skin microbial community are often dominated by one strain. We also found phage strains shared among both related and unrelated individuals, suggesting that a pool of common phages exists in the human population and that transmission of phages may occur between individuals. To better understand the bacterium-phage interactions in the skin microbiota, we determined the outcomes of 74 genetically defined Propionibacterium strains challenged by 15 sequenced phages. Depending on the Propionibacterium lineage, phage infection can result in lysis, pseudolysogeny, or resistance. In type II P. acnes strains, we found that encoding matching clustered regularly interspaced short palindromic repeat spacers is insufficient to confer phage resistance. Overall, our findings suggest that the prey-predator relationship between bacteria and phages may have a role in modulating the composition of the microbiota. Our study also suggests that the microbiome structure of an individual may be an important factor in the design of phage-based therapy.
C1 [Liu, Jared; Yan, Riceley; Zhong, Qiao; Ngo, Sam; Bangayan, Nathanael J.; Nguyen, Lin; Lui, Timothy; Tomida, Shuta; Li, Huiying] Univ Calif Los Angeles, David Geffen Sch Med, Crump Inst Mol Imaging, Dept Mol & Med Pharmacol, Los Angeles, CA 90095 USA.
[Zhong, Qiao] Nanjing Med Univ, Suzhou Hosp, Suzhou Municipal Hosp, Dept Lab Med, Suzhou, Peoples R China.
[Liu, Minghsun] Univ Calif Los Angeles, David Geffen Sch Med, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA 90095 USA.
[Erfe, Marie C.; Craft, Noah] Harbor UCLA Med Ctr, Los Angeles Biomed Res Inst, Los Angeles, CA USA.
[Li, Huiying] UCLA DOE Inst Genom & Prote, Los Angeles, CA USA.
RP Li, HY (reprint author), Univ Calif Los Angeles, David Geffen Sch Med, Crump Inst Mol Imaging, Dept Mol & Med Pharmacol, 4339 CNSI,570 Westwood Plaza,Bldg 114, Los Angeles, CA 90095 USA.
EM huiying@mednet.ucla.edu
FU NIH from NIGMS [R01GM099530, UH2AR057503]; Microbial Pathogenesis
Training Grant [T32AI07323]; NIAMS
FX This research was funded by NIH grants R01GM099530 and UH2AR057503 from
NIGMS and NIAMS. JL was supported by the Microbial Pathogenesis Training
Grant T32AI07323. Phage genomes were sequenced at the UCLA Genotyping
and Sequencing Core. We thank Dr Emma Barnard and Emily Curd for
providing assistance in preparation of MiSeq sequencing libraries, and
Dr Baochen Shi for help with metagenomic data analysis.
NR 77
TC 11
Z9 12
U1 4
U2 44
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD SEP
PY 2015
VL 9
IS 9
BP 2078
EP 2093
DI 10.1038/ismej.2015.47
PG 16
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA CP6SW
UT WOS:000360019500016
PM 25848871
ER
PT J
AU Tschitschko, B
Williams, TJ
Allen, MA
Paez-Espino, D
Kyrpides, N
Zhong, L
Raftery, MJ
Cavicchioli, R
AF Tschitschko, Bernhard
Williams, Timothy J.
Allen, Michelle A.
Paez-Espino, David
Kyrpides, Nikos
Zhong, Ling
Raftery, Mark J.
Cavicchioli, Ricardo
TI Antarctic archaea-virus interactions: metaproteome-led analysis of
invasion, evasion and adaptation
SO ISME JOURNAL
LA English
DT Article
ID SHORT PALINDROMIC REPEATS; CRISPR-CAS SYSTEMS; HALOPHILIC ARCHAEA;
TAILED VIRUSES; DEEP LAKE; HYPERSALINE ENVIRONMENTS; VIRION
ARCHITECTURE; HALOFERAX-VOLCANII; HOST INTERACTIONS; EAST ANTARCTICA
AB Despite knowledge that viruses are abundant in natural ecosystems, there is limited understanding of which viruses infect which hosts, and how both hosts and viruses respond to those interactions-interactions that ultimately shape community structure and dynamics. In Deep Lake, Antarctica, intergenera gene exchange occurs rampantly within the low complexity, haloarchaea-dominated community, strongly balanced by distinctions in niche adaptation which maintain sympatric speciation. By performing metaproteomics for the first time on haloarchaea, genomic variation of S-layer, archaella and other cell surface proteins was linked to mechanisms of infection evasion. CRISPR defense systems were found to be active, with haloarchaea responding to at least eight distinct types of viruses, including those infecting between genera. The role of BREX systems in defending against viruses was also examined. Although evasion and defense were evident, both hosts and viruses also may benefit from viruses carrying and expressing host genes, thereby potentially enhancing genetic variation and phenotypic differences within populations. The data point to a complex inter-play leading to a dynamic optimization of host-virus interactions. This comprehensive overview was achieved only through the integration of results from metaproteomics, genomics and metagenomics.
C1 [Tschitschko, Bernhard; Williams, Timothy J.; Allen, Michelle A.; Cavicchioli, Ricardo] Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia.
[Paez-Espino, David; Kyrpides, Nikos] US DOE, Joint Genome Inst, Walnut Creek, CA USA.
[Zhong, Ling; Raftery, Mark J.] Univ New S Wales, Bioanalyt Mass Spectrometry Facil, Sydney, NSW 2052, Australia.
RP Cavicchioli, R (reprint author), Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia.
EM r.cavicchioli@unsw.edu.au
RI Kyrpides, Nikos/A-6305-2014
OI Kyrpides, Nikos/0000-0002-6131-0462
FU Australian Research Council; Australian Antarctic Science program;
Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Australian Research Council and the
Australian Antarctic Science program. Mass spectrometric results were
obtained at the Bioanalytical Mass Spectrometry Facility within the
Analytical Centre of the University of New South Wales. This work was
undertaken using infrastructure provided by NSW Government co-investment
in the National Collaborative Research Infrastructure Scheme. Subsidized
access to this facility is gratefully acknowledged. The work conducted
by the U.S. Department of Energy Joint Genome Institute is supported by
the Office of Science of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231. We thank Matthew DeMaere for assistance with Deep
Lake databases, Sheree Yau and Susanne Erdmann for valuable discussion
about viruses and CRISPRs, and the PRIDE team and ProteomeXchange for
efficiently processing and hosting the mass spectrometry data. We warmly
acknowledge the positive and constructive comments made during the
review process.
NR 90
TC 10
Z9 10
U1 4
U2 17
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD SEP
PY 2015
VL 9
IS 9
BP 2094
EP 2107
DI 10.1038/ismej.2015.110
PG 14
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA CP6SW
UT WOS:000360019500017
PM 26125682
ER
PT J
AU Jensen, KMO
Blichfeld, AB
Bauers, SR
Wood, SR
Dooryhee, E
Johnson, DC
Iversen, BB
Billinge, SJL
AF Jensen, Kirsten M. O.
Blichfeld, Anders B.
Bauers, Sage R.
Wood, Suzannah R.
Dooryhee, Eric
Johnson, David C.
Iversen, Bo B.
Billinge, Simon J. L.
TI Demonstration of thin film pair distribution function analysis (tfPDF)
for the study of local structure in amorphous and crystalline thin films
SO IUCRJ
LA English
DT Article
DE total scattering; pair distribution function analysis; thin films;
framework-structured solids and amorphous materials; inorganic
materials; materials modelling; nanostructure; amorphous solids
ID MODULATED ELEMENTAL REACTANTS; CHEMICAL-VAPOR-DEPOSITION; TRANSISTORS;
OXIDES
AB By means of normal-incidence, high-flux and high-energy X-rays, total scattering data for pair distribution function (PDF) analysis have been obtained from thin films (tf), suitable for local structure analysis. By using amorphous substrates as support for the films, the standard Rapid Acquisition PDF setup can be applied and the scattering signal from the film can be isolated from the total scattering data through subtraction of an independently measured background signal. No angular corrections to the data are needed, as would be the case for grazing incidence measurements. The 'tfPDF' method is illustrated through studies of as-deposited (i.e. amorphous) and crystalline FeSb3 films, where the local structure analysis gives insight into the stabilization of the metastable skutterudite FeSb3 phase. The films were prepared by depositing ultra-thin alternating layers of Fe and Sb, which interdiffuse and after annealing crystallize to form the FeSb3 structure. The tfPDF data show that the amorphous precursor phase consists of corner-sharing FeSb6 octahedra with motifs highly resembling the local structure in crystalline FeSb3. Analysis of the amorphous structure allows the prediction of whether the final crystalline product will form the FeSb3 phase with or without excess Sb present. The study thus illustrates how analysis of the local structure in amorphous precursor films can help to understand crystallization processes of metastable phases and opens for a range of new local structure studies of thin films.
C1 [Jensen, Kirsten M. O.; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Blichfeld, Anders B.; Iversen, Bo B.] Aarhus Univ, Dept Chem, Ctr Mat Crystallog, DK-8000 Aarhus C, Denmark.
[Blichfeld, Anders B.; Iversen, Bo B.] Aarhus Univ, iNANO, DK-8000 Aarhus C, Denmark.
[Bauers, Sage R.; Wood, Suzannah R.; Johnson, David C.] Univ Oregon, Dept Chem, Ctr Sustainable Mat Chem, Eugene, OR 97403 USA.
[Dooryhee, Eric] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA.
[Billinge, Simon J. L.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA.
RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
EM sb2896@columbia.edu
RI Jensen, Kirsten Marie Ornsbj/I-9367-2012; Blichfeld, Anders/G-4418-2016;
Wood, Suzannah/H-8917-2016
OI Jensen, Kirsten Marie Ornsbj/0000-0003-0291-217X; Blichfeld,
Anders/0000-0001-5631-4197; Wood, Suzannah/0000-0002-7208-7681
FU Villum Foundation Postdoc Program; Sino-Danish Center; Danish National
Research Foundation (Center for Material Crystallography) [DNRF93]; US
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-SC0012704]; US DOE, Office of Science, Office of Basic Energy
Sciences (DOE-BES) [DE-SC00112704]; National Science Foundation
[DMR-1266217]; National Science Foundation through CCI grant
[CHE-1102637]
FX KMOJ acknowledges funding from the Villum Foundation Postdoc Program.
ABB would like to acknowledge the Sino-Danish Center for funding. SRB
and SRW acknowledge support from the National Science Foundation under
grant DMR-1266217 and through CCI grant number CHE-1102637. The work was
funded in part by the Danish National Research Foundation (Center for
Material Crystallography, DNRF93). All authors are grateful for NSLS-II
for granting beam time at the XPD beamline. Use of the National
Synchrotron Light Source II, Brookhaven National Laboratory, was
supported by the US Department of Energy, Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-SC0012704. SJLB was
supported by US DOE, Office of Science, Office of Basic Energy Sciences
(DOE-BES) under contract DE-SC00112704.
NR 31
TC 6
Z9 6
U1 3
U2 20
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2052-2525
J9 IUCRJ
JI IUCrJ
PD SEP
PY 2015
VL 2
BP 481
EP 489
DI 10.1107/S2052252515012221
PN 5
PG 9
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA CP7KV
UT WOS:000360067300004
PM 26306190
ER
PT J
AU Hathwar, VR
Sist, M
Jorgensen, MRV
Mamakhel, AH
Wang, XP
Hoffmann, CM
Sugimoto, K
Overgaard, J
Iversen, BB
AF Hathwar, Venkatesha R.
Sist, Mattia
Jorgensen, Mads R. V.
Mamakhel, Aref H.
Wang, Xiaoping
Hoffmann, Christina M.
Sugimoto, Kunihisa
Overgaard, Jacob
Iversen, Bo Brummerstedt
TI Quantitative analysis of intermolecular interactions in orthorhombic
rubrene
SO IUCRJ
LA English
DT Article
DE electron density; rubrene; organic semiconductor; interaction energy
ID FIELD-EFFECT TRANSISTORS; EXPERIMENTAL ELECTRON-DENSITY; THEORETICAL
CHARGE-DENSITY; PI-PI INTERACTIONS; ORGANIC SEMICONDUCTORS;
SINGLE-CRYSTALS; NEUTRON-DIFFRACTION; MOLECULAR-CRYSTALS; INTERACTION
ENERGIES; NONCOVALENT INTERACTIONS
AB Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended pi-conjugated core between molecules. We present here the electron density distribution in rubrene at 20 K and at 100 K obtained using a combination of high-resolution X-ray and neutron diffraction data. The topology of the electron density and energies of intermolecular interactions are studied quantitatively. Specifically, the presence of C-pi center dot center dot center dot C-pi interactions between neighbouring tetracene backbones of the rubrene molecules is experimentally confirmed from a topological analysis of the electron density, Non-Covalent Interaction (NCI) analysis and the calculated interaction energy of molecular dimers. A significant contribution to the lattice energy of the crystal is provided by H-H interactions. The electron density features of H-H bonding, and the interaction energy of molecular dimers connected by H-H interaction clearly demonstrate an importance of these weak interactions in the stabilization of the crystal structure. The quantitative nature of the intermolecular interactions is virtually unchanged between 20 K and 100 K suggesting that any changes in carrier transport at these low temperatures would have a different origin. The obtained experimental results are further supported by theoretical calculations.
C1 [Hathwar, Venkatesha R.; Sist, Mattia; Jorgensen, Mads R. V.; Mamakhel, Aref H.; Overgaard, Jacob; Iversen, Bo Brummerstedt] Aarhus Univ, Dept Chem, Ctr Mat Crystallog, DK-8000 Aarhus C, Denmark.
[Hathwar, Venkatesha R.; Sist, Mattia; Jorgensen, Mads R. V.; Mamakhel, Aref H.; Overgaard, Jacob; Iversen, Bo Brummerstedt] Aarhus Univ, iNANO, DK-8000 Aarhus C, Denmark.
[Wang, Xiaoping; Hoffmann, Christina M.] Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
[Sugimoto, Kunihisa] Japan Synchrotron Radiat Res Inst, Sayo, Hyogo 6795198, Japan.
RP Overgaard, J (reprint author), Aarhus Univ, Dept Chem, Ctr Mat Crystallog, Langelandsgade 140, DK-8000 Aarhus C, Denmark.
EM jacobo@chem.au.dk; bo@chem.au.dk
RI Wang, Xiaoping/E-8050-2012; hoffmann, christina/D-2292-2016; Jorgensen,
Mads Ry Vogel/C-6109-2017;
OI Wang, Xiaoping/0000-0001-7143-8112; hoffmann,
christina/0000-0002-7222-5845; Jorgensen, Mads Ry
Vogel/0000-0001-5507-9615; Overgaard, Jacob/0000-0001-6492-7962
FU Danish National Research Foundation [DNRF93]; Danish Council for Nature
and Universe (DanScatt); Scientific User Facilities Division, Office of
Basic Energy Sciences, US Department of Energy
FX This work was supported by the Danish National Research Foundation
(DNRF93) and the Danish Council for Nature and Universe (DanScatt).
Research conducted at the Spallation Neutron Source, Oak Ridge National
Laboratory was sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, US Department of Energy. The
synchrotron radiation experiment at BL02B1/SPring8, Japan, was conducted
with the approval of the Japan Synchrotron Radiation Research Institute
(Proposal No: 2014A0078).
NR 91
TC 7
Z9 7
U1 4
U2 38
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2052-2525
J9 IUCRJ
JI IUCrJ
PD SEP
PY 2015
VL 2
BP 563
EP 574
DI 10.1107/S2052252515012130
PN 5
PG 12
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA CP7KV
UT WOS:000360067300012
PM 26306198
ER
PT J
AU Rodriguez, JA
Xu, R
Chen, CC
Huang, ZF
Jiang, HD
Chen, AL
Raines, KS
Pryor, A
Nam, D
Wiegart, L
Song, C
Madsen, A
Chushkin, Y
Zontone, F
Bradley, PJ
Miao, JW
AF Rodriguez, Jose A.
Xu, Rui
Chen, Chien-Chun
Huang, Zhifeng
Jiang, Huaidong
Chen, Allan L.
Raines, Kevin S.
Pryor, Alan, Jr.
Nam, Daewoong
Wiegart, Lutz
Song, Changyong
Madsen, Anders
Chushkin, Yuriy
Zontone, Federico
Bradley, Peter J.
Miao, Jianwei
TI Three-dimensional coherent X-ray diffractive imaging of whole
frozen-hydrated cells
SO IUCRJ
LA English
DT Article
DE coherent diffractive imaging; cryo-CDI; three-dimensional imaging;
three-dimensional cellular structure; coherent diffraction; X-ray
imaging; Neospora caninum
ID RED-BLOOD-CELLS; TOXOPLASMA-GONDII; ELECTRON TOMOGRAPHY; PHASE
RETRIEVAL; LIQUID-NITROGEN; MICROSCOPY; RESOLUTION; CRYSTALLOGRAPHY;
SPECIMENS; ULTRASTRUCTURE
AB A structural understanding of whole cells in three dimensions at high spatial resolution remains a significant challenge and, in the case of X-rays, has been limited by radiation damage. By alleviating this limitation, cryogenic coherent diffractive imaging (cryo-CDI) can in principle be used to bridge the important resolution gap between optical and electron microscopy in bio-imaging. Here, the first experimental demonstration of cryo-CDI for quantitative three-dimensional imaging of whole frozen-hydrated cells using 8 keV X-rays is reported. As a proof of principle, a tilt series of 72 diffraction patterns was collected from a frozen-hydrated Neospora caninum cell and the threedimensional mass density of the cell was reconstructed and quantified based on its natural contrast. This three-dimensional reconstruction reveals the surface and internal morphology of the cell, including its complex polarized sub-cellular structure. It is believed that this work represents an experimental milestone towards routine quantitative three-dimensional imaging of whole cells in their natural state with spatial resolutions in the tens of nanometres.
C1 [Rodriguez, Jose A.] Univ Calif Los Angeles, Biol Chem, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA.
[Xu, Rui; Pryor, Alan, Jr.; Miao, Jianwei] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA.
[Xu, Rui; Pryor, Alan, Jr.; Miao, Jianwei] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA.
[Chen, Chien-Chun] Natl Sun Yat Sen Univ, Dept Phys, Kaohsiung 80424, Taiwan.
[Huang, Zhifeng] Carl ZEISS Xray Microscopy Inc, Pleasanton, CA 94588 USA.
[Jiang, Huaidong] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China.
[Chen, Allan L.; Bradley, Peter J.] Univ Calif Los Angeles, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA 90095 USA.
[Raines, Kevin S.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA.
[Nam, Daewoong; Song, Changyong] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea.
[Wiegart, Lutz] Brookhaven Natl Lab, NSLS II Photon Sci Div, Upton, NY 11973 USA.
[Madsen, Anders] European Xray Free Electron Laser, D-22761 Hamburg, Germany.
[Chushkin, Yuriy; Zontone, Federico] ESRF, Grenoble, France.
RP Miao, JW (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA.
EM miao@physics.ucla.edu
FU DARPA PULSE program through a grant from AMRDEC [DARPA-BAA-12-63];
National Institutes of Health [GM081409-01A1, AI064616]; Howard Hughes
Medical Institute Gilliam Fellowship; UCLA MBI Whitcome Fellowship; A.
P. Giannini Postdoctoral fellowship; National Natural Science Foundation
of China [31430031]
FX This work is supported by the DARPA PULSE program through a grant from
AMRDEC (DARPA-BAA-12-63) and the National Institutes of Health (grant
No. GM081409-01A1). PJB thanks the National Institutes of Health
(R01#AI064616) for support. JAR acknowledges the support of the Howard
Hughes Medical Institute Gilliam Fellowship for graduate studies, the
UCLA MBI Whitcome Fellowship, and the A. P. Giannini Postdoctoral
fellowship. HJ acknowledges the support of the National Natural Science
Foundation of China (31430031).
NR 48
TC 9
Z9 9
U1 10
U2 27
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2052-2525
J9 IUCRJ
JI IUCrJ
PD SEP
PY 2015
VL 2
BP 575
EP 583
DI 10.1107/S205225251501235X
PN 5
PG 9
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA CP7KV
UT WOS:000360067300013
PM 26306199
ER
PT J
AU Sutton, M
Kane, SR
Wollard, JR
AF Sutton, Mark
Kane, Staci R.
Wollard, Jessica R.
TI Methyl Iodide Fumigation of Bacillus anthracis Spores
SO JOURNAL OF ENVIRONMENTAL HEALTH
LA English
DT Article
ID BROMIDE; SOIL
AB Fumigation techniques such as chlorine dioxide, vaporous hydrogen peroxide, and paraformaldehyde previously used to decontaminate items, rooms, and buildings following contamination with Bacillus anthracis spores are often incompatible with materials (e.g., porous surfaces, organics, and metals), causing damage or residue. Alternative fumigation with methyl bromide is subject to U.S. and international restrictions due to its ozone-depleting properties. Methyl iodide, however, does not pose a risk to the ozone layer and has previously been demonstrated as a fumigant for fungi, insects, and nematodes. Until now, methyl iodide has not been evaluated against Bacillus anthracis. Sterne strain Bacillus anthracis spores were subjected to methyl iodide fumigation at room temperature and at 55 degrees C. Efficacy was measured on a log-scale with a 6-log reduction in CFUs being considered successful compared to the U.S. Environmental Protection Agency biocide standard. Such efficacies were obtained after just one hour at 55 degrees C and after 12 hours at room temperature. No detrimental effects were observed on glassware, PTFE O-rings, or stainless steel. This is the first reported efficacy of methyl iodide in the reduction of Bacillus anthracis spore contamination at ambient and elevated temperatures.
C1 [Sutton, Mark; Kane, Staci R.; Wollard, Jessica R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Sutton, M (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM sutton18@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; agency of the U.S. government
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344. This document was prepared as an account of work
sponsored by an agency of the U.S. government. Neither the U.S.
government nor Lawrence Liver-more National Security, LLC, nor any of
their employees makes any warranty, expressed or implied, or assumes any
legal liability or responsibility for the accuracy, completeness, or
usefulness of any information, apparatus, product, or process disclosed,
or represents that its use would not infringe privately owned rights.
Reference herein to any specific commercial product, process, or service
by trade name, trademark, manufacturer, or otherwise does not
necessarily constitute or imply its endorsement, recommendation, or
favoring by the U.S. government or Lawrence Liver-more National
Security, LLC. The views and opinions of authors expressed herein do not
necessarily state or reflect those of the U.S. government or Lawrence
Liver-more National Security, LLC, and shall not be used for advertising
or product endorsement purposes. LLNLJRNL-648514.
NR 27
TC 0
Z9 0
U1 2
U2 6
PU NATL ENVIRON HEALTH ASSOC
PI DENVER
PA 720 S COLORADO BLVD SUITE 970, SOUTH TOWER, DENVER, CO 80246 USA
SN 0022-0892
J9 J ENVIRON HEALTH
JI J. Environ. Health
PD SEP
PY 2015
VL 78
IS 2
BP 14
EP 19
PG 6
WC Environmental Sciences; Public, Environmental & Occupational Health
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health
GA CP5BB
UT WOS:000359895200003
PM 26502561
ER
PT J
AU Rydzak, T
Lynd, LR
Guss, AM
AF Rydzak, Thomas
Lynd, Lee R.
Guss, Adam M.
TI Elimination of formate production in Clostridium thermocellum
SO JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY
LA English
DT Article
DE Cellulosic ethanol; Clostridium thermocellum; Pyruvate:formate lyase;
Metabolic engineering; C1 metabolism
ID ATCC 27405; PROTEIN EXPRESSION; PROTEOMIC ANALYSIS; ENZYME-ACTIVITIES;
ELECTRON FLUX; FERMENTATION; CELLULOSE; CARBON; PROFILES; DEHYDROGENASE
AB The ability of Clostridium thermocellum to rapidly degrade cellulose and ferment resulting hydrolysis products into ethanol makes it a promising platform organism for cellulosic biofuel production via consolidated bioprocessing. Currently, however, ethanol yield is far below theoretical maximum due to branched product pathways that divert carbon and electrons towards formate, H-2, lactate, acetate, and secreted amino acids. To redirect carbon and electron flux away from formate, genes encoding pyruvate:formate lyase (pflB) and PFL-activating enzyme (pflA) were deleted. Formate production in the resulting Delta pfl strain was eliminated and acetate production decreased by 50 % on both complex and defined medium. The growth rate of the Delta pfl strain decreased by 2.9-fold on defined medium and biphasic growth was observed on complex medium. Supplementation of defined medium with 2 mM formate restored Delta pfl growth rate to 80 % of the parent strain. The role of pfl in metabolic engineering strategies and C-1 metabolism is discussed.
C1 [Rydzak, Thomas; Guss, Adam M.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Rydzak, Thomas; Lynd, Lee R.; Guss, Adam M.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN