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Comprehensive Molecular Mechanics Model for Oxidized Type I Copper Proteins: Active Site Structures, Strain Energies, and Entatic Bulging

Robert J. Deeth2007-04-27Inorganic Chemistry

The ligand field molecular mechanics (LFMM) model has been applied to the oxidized Type 1 copper center. In conjunction with the AMBER94 force field implemented in DommiMOE, the ligand field extension of the molecular operating environment (MOE), LFMM parameters for Cu-N(imidazole), Cu-S(thiolate), Cu-S(thioether), an…

Protein Structure and DynamicsCrystallography and molecular interactionsEnzyme Structure and Function

A velocity map imaging spectrometer for electron?ion and ion?ion coincidence experiments with synchrotron radiation

Lawrence Berkeley National Laboratory. Advanced Light Source.、Kilcoyne, Arthur L、Daniel Rolles 等 11 位作者2007-04-27University of North Texas Digital Library (University of North Texas)

We have built a velocity imaging (VMI) spectrometer optimized for angle-resolved photoionization experiments with synchrotron radiation (SR) in the VUV and soft X-tay range. The spectrometer is equiped with four electrostatic lenses that focus the charged photoionization products onto a position-sensitive multi-hit de…

Advanced Electron Microscopy Techniques and ApplicationsX-ray Spectroscopy and Fluorescence AnalysisElectron and X-Ray Spectroscopy Techniques

Functionalized Multi‐Walled Carbon Nanotubes Prepared by In Situ Polycondensation of Polyurethane

Xianhong Chen、Xianhong Chen、Xiaojin Chen 等 9 位作者2007-04-27Macromolecular Chemistry and Physics

Abstract Treating MWCNTs with an acidic solution (concentrated H 2 SO 4 /HNO 3 ; 3:1) and subsequently with succinic acid peroxide leads to MWCNTs functionalized with carboxyl groups on their sidewalls (or surfaces). These MWCNT‐COOH were converted to MWCNT‐COCl and further to MWCNT‐NH 2 . The PU was covalently coated…

Carbon Nanotubes in CompositesGraphene research and applicationsConducting polymers and applications

Uncooled infrared bolometer arrays operating in a low to medium vacuum atmosphere: performance model and tradeoffs

Frank Niklaus、Christer Jansson、Adit Decharat 等 6 位作者2007-04-27Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

In this paper we present a comprehensive calculational model for the noise equivalent temperature difference (NETD) of infrared imaging systems based on uncooled bolometer arrays. The NETD model is validated and benchmarked using published performance data of state-of-the-art uncooled infrared bolometer arrays. The ca…

Advanced MEMS and NEMS TechnologiesTransition Metal Oxide NanomaterialsElectrical and Thermal Properties of Materials

Plugging and Unplugging Holes of Single-Wall Carbon Nanohorns

Ryota Yuge、Masako Yudasaka、Jin Miyawaki 等 8 位作者2007-04-27The Journal of Physical Chemistry C

We demonstrate that gadolinium acetate could plug holes of single-wall carbon nanohorns (NHox) and that unplugging was also possible. A quantitative evaluation of the plugging and unplugging using C 60 as a probe showed that about 50% of NHox were hole-plugged with gadolinium acetates and most of them were unplugged w…

Carbon Nanotubes in CompositesGraphene research and applicationsRadiation Effects in Electronics

Spin-glass shell and magnetotransport properties of aLa0.67Ca0.33MnO3nanoring network

Mingmin Zhu、Yongjie Zhao、W. Cai 等 9 位作者2007-04-27Physical Review B

The magnetotransport and magnetic property of the ${\mathrm{La}}_{0.67}{\mathrm{Ca}}_{0.33}{\mathrm{MnO}}_{3}$ (LCMO) nanoring network (NRN) have been investigated. This NRN-LCMO shows a giant magnetoconductance at low temperatures with strong memory effect of magnetic field. Its high field magnetoconductance shows li…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

640 × 512 17 μm microbolometer FPA and sensor development

Daniel F. Murphy、Michael Ray、Jessica Wyles 等 11 位作者2007-04-27Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

RVS has made a significant breakthrough in the development of a 640 x 512 uncooled array with a unit cell size of 17 μm x 17 μm, and performance approaching that of the 25μm arrays. The successful development of this array is the first step in achieving mega-pixel formats. This FPA is designed to ultima…

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsInfrared Target Detection Methodologies

Metastable domains and potential energy surfaces in organic charge-transfer salts with neutral-ionic phase transitions

Z. G. Soos、Anna Painelli2007-04-27Physical Review B

A modified Hubbard model with linear coupling to both lattice phonons and molecular vibrations is applied to the structural and electronic instabilities of organic charge-transfer (CT) salts such as tetrathiafulvalene-chloranil (TTF-CA). The potential energy surface (PES) of the correlated model is found exactly in fi…

Physics of Superconductivity and MagnetismPerovskite Materials and ApplicationsOrganic and Molecular Conductors Research

(13×13)R13.9°and(7×7)R19.1°reconstructions of the polarSrTiO3(111)surface

Bruce C. Russell、Martin R. Castell2007-04-27Physical Review B

Nb-doped ${\mathrm{SrTiO}}_{3}\phantom{\rule{0.3em}{0ex}}(111)$ samples are annealed in UHV at $850\phantom{\rule{0.2em}{0ex}}\ifmmode^\circ\else\textdegree\fi{}\mathrm{C}$ for $30\phantom{\rule{0.3em}{0ex}}\mathrm{min}$ and investigated using scanning tunneling microscopy (STM), low-energy electron diffraction (LEED)…

Physics of Superconductivity and MagnetismSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Nanocomposite optical ceramics for infrared windows and domes

Todd Stefanik、Richard L. Gentilman、Patrick Hogan2007-04-27Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Currently available IR transparent materials typically exhibit a trade-off between optical performance and mechanical strength. For instance, sapphire domes are very strong, but lack full transparency throughout the 3-5 micron mid-wave IR band. Yttria is fully transparent from 3-5 microns, but lacks sufficient strengt…

Glass properties and applicationsOptical Coatings and Gratings

Emulsion Catastrophic Inversion from Abnormal to Normal Morphology. 6. Effect of the Phase Viscosity on the Inversion Produced by Continuous Stirring

Marianna Rondón-González、Luis F. Madariaga、Véronique Sadtler 等 6 位作者2007-04-27Industrial & Engineering Chemistry Research

When the emulsion inversion from an abnormal oil-in-water (O/W) system to a normal water-in-oil (W/O) morphology is produced by continuous stirring, the fraction of dispersed phase at which the inversion is triggered (which is known as the critical dispersed phase fraction) and the inversion mechanism are affected by…

Innovative Microfluidic and Catalytic Techniques InnovationPickering emulsions and particle stabilizationElectrohydrodynamics and Fluid Dynamics

Dyeing of polylactide fibers in supercritical carbon dioxide

Huibing Wen、Jin Dai2007-04-27Journal of Applied Polymer Science

Abstract Polylactide (PLA) fibers were dyed with Disperse Blue 79 in supercritical carbon dioxide (SC‐CO 2 ). The effects of dyeing conditions such as the temperature, pressure, and time on the dyeing and mechanical properties were discussed in comparison with those in water. A major advantage of dyeing PLA in SC‐CO 2…

biodegradable polymer synthesis and propertiesAdditive Manufacturing and 3D Printing TechnologiesPolymer Foaming and Composites

CMOS‐compatible fabrication of porous silicon gas sensors and their readout electronics on the same chip

Giuseppe Barillaro、Paolo Bruschi、Francesco Pieri 等 4 位作者2007-04-27physica status solidi (a)

Abstract In this work, integration on the same chip of porous silicon gas sensors along with their driving/readout electronic circuits by using an industrial microelectronic process is demonstrated. To ensure maximum compatibility, the porous silicon formation is performed after the integrated circuit fabrication flow…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsAnalytical Chemistry and Sensors

Electrochemistry, Spectroscopy, and Electrogenerated Chemiluminescence of Some Star-Shaped Truxene−Oligofluorene Compounds

Khalid M. Omer、Alexander L. Kanibolotsky、Peter J. Skabara 等 5 位作者2007-04-27The Journal of Physical Chemistry B

We report electrochemical studies, spectroscopy, and electrogenerated chemiluminescence (ECL) of four monodisperse star-shaped truxene core-oligofluorene compounds (T1-T4). All oligomers produced stable radical anions and radical cations and showed blue ECL by ion annihilation with an intensity that could be seen with…

Organic Electronics and PhotovoltaicsPhotochemistry and Electron Transfer StudiesLuminescence and Fluorescent Materials

Control of ZnO nanorod array density by Zn supersaturation variation and effects on field emission

R.T. Rajendra Kumar、E. McGlynn、C. McLoughlin 等 8 位作者2007-04-27Nanotechnology

We demonstrate control of ZnO nanorod density for self-organized growth on ZnO buffer layers on Si by varying Zn supersaturation during the initial growth phase, thereby altering the competition between 2D and 1D growth modes. Higher initial supersaturation favours nanorods of diameter <200 nm with micron-sized bas…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

Biomimetic synthesis of gold nanoparticles and their aggregates using a polypeptide sequence

Zheng Wang、Jinchun Chen、Peng Yang 等 4 位作者2007-04-27Applied Organometallic Chemistry

Abstract The polypeptide sequence MS14 (MHGKTQATSGTIQS) was used to explore a new method for biomimetic preparation of gold nanoparticles and their aggregates. Self‐congregation of gold nanoparticles into aggregates in MS14 aqueous solution and self‐assembly of gold crystallites onto the designed complex of MS14‐PET f…

Advanced biosensing and bioanalysis techniquesPolymer Surface Interaction StudiesDiatoms and Algae Research

The Crystal Structure of the Ivy Δ4-16:0-ACP Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity

Jodie E. Guy、Edward Whittle、D. Kumaran 等 5 位作者2007-04-27Journal of Biological Chemistry

The multifunctional acyl-acyl carrier protein (ACP) desaturase from Hedera helix (English ivy) catalyzes the Delta(4) desaturation of 16:0-ACP and the Delta(9) desaturation of 18:0-ACP and further desaturates Delta(9)-16:1 or Delta(9)-18:1 to the corresponding Delta(4,9) dienes. The crystal structure of the enzyme has…

Protein Structure and DynamicsEnzyme Structure and FunctionPlant biochemistry and biosynthesis

The Influence of Secondary Interactions during the Formation of Polyelectrolyte Multilayers: Layer Thickness, Bound Water and Layer Interpenetration

Manesh Gopinadhan、Oxana Ivanova、H. Ahrens 等 6 位作者2007-04-27The Journal of Physical Chemistry B

With X-ray and neutron reflectivity, the structure and composition of polyelectrolyte multilayers from poly(allyl amine) (PAH) and poly(styrene sulfonate) (PSS) are studied as function of preparation conditions (salt concentration and solution temperature, T). The onset of a temperature effect occurs at 0.05 M NaCl (D…

Surface Modification and SuperhydrophobicityPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

1D and 2D End-to-End Azide-Bridged Cobalt(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties

Morsy A. M. Abu-Youssef、Franz A. Mautner、Ramón Vicente2007-04-27Inorganic Chemistry

Two new polynuclear azido-bridged Co(II) compounds with formulas catena-[Co(mu1,3-N3)(N3)(py)2(H2O)]n (1) and [Co(mu1,3-N3)2(4-acpy)2]n (2) (py=pyridine, 4-acpy=4-acetylpyridine) have been structurally and magnetically characterized. Compound 1 crystallizes in the orthorhombic system Fddd space group and consists of a…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Application of FTIR spectroscopy for structural characterization of ternary poly(acrylic acid)–metal–poly(vinyl pyrrolidone) complexes

M. A. Moharram、Monazah Khafagi2007-04-27Journal of Applied Polymer Science

Abstract The FTIR spectroscopic technique was used in the study of ternary polymer–metal complexes containing two polyelectrolytes of opposite charge and metal ions. The structure of the ternary (PAA‐Fe 3+ ‐PVP) complexes was examined by following the changes in their infrared spectra. It was found that the shapes of…

Polymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and IrradiationPolymer Science and PVC