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Recent Developments for Crystallographic Refinement of Macromolecules

Axel T. Brünger2003-11-14Humana Press eBooks

In the past decade macromolecular crystallography has undergone major advances in crystallization, data collection by synchrotron X-ray sources and area detectors, and data analysis by high performance computers and new computational techniques. In addition, recombinant gene technology in many cases allows the express…

Protein Structure and DynamicsMass Spectrometry Techniques and ApplicationsEnzyme Structure and Function

Quantitative Determination of Collagen Crosslinks

Trevor J. Sims、Nicholas C. Avery、Allen J. Bailey2003-11-14Humana Press eBooks

The primary functional role of collagen is as a supporting tissue and it is now well established that the aggregated forms of the collagen monomers are stabilized to provide mechanical strength by a series of intermolecular crosslinks. These links are formed by oxidative deamination of the ε-amino group of the single…

Osteoarthritis Treatment and MechanismsCell Adhesion Molecules ResearchCollagen: Extraction and Characterization

Structure and vibrational spectra of a new trihydrate diphosphate, MnNH4NaP2O7·3H2O

Khalid Brouzi、A. Ennaciri、Mohamed Harcharras 等 4 位作者2003-11-14Journal of Raman Spectroscopy

Abstract The new trihydrate diphosphate, MnNH 4 NaP 2 O 7 ·3H 2 O, were synthesized and investigated by X‐ray diffraction and vibrational spectroscopy. Single crystal structure has been obtained using 1361 reflections with a final R value of 0.0564. This salt crystallizes in the monoclinic system, space group Cc, with…

Crystal Structures and PropertiesChemical Synthesis and CharacterizationX-ray Diffraction in Crystallography

Kinetic analysis of phenylalanine dehydrogenase mutants designed for aliphatic amino acid dehydrogenase activity with guidance from homology‐based modelling

Stephen Y. K. Seah、K.L. Britton、David W. Rice 等 5 位作者2003-11-14European Journal of Biochemistry

Through comparison with the high-resolution structure of Clostridium symbiosum glutamate dehydrogenase, the different substrate specificities of the homologous enzymes phenylalanine dehydrogenase and leucine dehydrogenase were attributed to two residues, glycine 124 and leucine 307, in Bacillus sphaericus phenylalanin…

Enzyme Catalysis and ImmobilizationEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Tetramers on diamond, Si, and Ge(113) surfaces:Ab initiostudies

A. A. Stekolnikov、J. Furthmüller、F. Bechstedt2003-11-14Physical review. B, Condensed matter

We present ab initio studies of $2\ifmmode\times\else\texttimes\fi{}1$ reconstructions of the diamond, Si, and Ge(113) surfaces. For all group-IV elements tetramers stabilize the (113) surface due to the tendency for opening of a surface-state gap. In the case of diamond, the symmetric tetramer structure with semicond…

Semiconductor materials and devicesDiamond and Carbon-based Materials ResearchElectronic and Structural Properties of Oxides

Magnetostriction and surface roughness of ultrathin NiFe films deposited on SiO2

M. Hollingworth、M.R.J. Gibbs、Susan Jane Tara Murdoch2003-11-14Journal of Applied Physics

Ni 81 Fe 19 was sputter deposited onto Si single-crystal wafers which had the native oxide layer intact. Dc hysteresis loops were measured using the magneto-optic Kerr effect, and anisotropy fields determined from the susceptibility. Saturation magnetostriction constants were deduced from the change in anisotropy fiel…

Magnetic properties of thin filmsMetallic Glasses and Amorphous AlloysMagnetic Properties and Applications

Design of Mechanically Robust High-Tg Polymers: Physical Properties of Glassy Poly(ester carbonate)s with Cyclohexylene Rings in the Backbone

Xiangyang Li、Albert F. Yee2003-11-14Macromolecules

The incorporation of trans -cyclohexylene (C-ring) groups into the main chains of glassy polymers increases polymer chain dynamics. With the increase in trans-C-ring content in the main chain, both the coefficient of thermal expansion (CTE) of bulk specimens and the CTE of nanosized holes in these glasses increase. Tr…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesMuon and positron interactions and applications

Charging and quantum size effects in tunnelling and optical spectroscopy of CdSe nanorods

Oded Millo、David Katz、D. Steiner 等 7 位作者2003-11-14Nanotechnology

We summarize our correlated scanning tunnelling microscopy and optical spectroscopy investigations of the electronic level structure and single-electron charging effects in CdSe quantum rods. Both optical and tunnelling spectra show that the level structure depends primarily on rod diameter and not on length. With inc…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsMolecular Junctions and Nanostructures

Polyester Coating of Cellulose Fiber Surfaces Catalyzed by a Cellulose-Binding Module-Candida Antarctica Lipase B Fusion Protein

Malin Gustavsson、Per Valdemar Persson、Tommy Iversen 等 5 位作者2003-11-14Biomacromolecules

A new approach to introduce polymers to cellulosic materials was developed by using the ability of a cellulose-binding module-Candida antarctica lipase B conjugate to catalyze ring-opening polymerization of epsilon-caprolactone in close proximity to cellulose fiber surfaces. The epsilon-caprolactone was introduced to…

Enzyme Catalysis and ImmobilizationAdvanced Cellulose Research Studiesbiodegradable polymer synthesis and properties

Crystal Structure of Imidazole Glycerol-phosphate Dehydratase

Sangita C. Sinha、Barnali N. Chaudhuri、John W. Burgner 等 6 位作者2003-11-14Journal of Biological Chemistry

Imidazole glycerol-phosphate dehydratase (IGPD) catalyzes the sixth step of histidine biosynthesis. The enzyme is of fundamental biochemical interest, because it catalyzes removal of a non-acidic hydrogen atom in the dehydration reaction. It is also a potential target for development of herbicides. IGPD is a metalloen…

Protein Structure and DynamicsEnzyme Structure and FunctionPlant biochemistry and biosynthesis

Two-Dimensional Au and Au−Cu Alloy Nanocrystals with Orientation in (111) Plane Embedded in Glassy Silica Films

Goutam De、C. N. R. Rao2003-11-14The Journal of Physical Chemistry B

Triangular Au and disk-shaped Au−Cu alloy nanocrystals have been generated in thin SiO 2 film matrixes, by sol−gel spin-coating followed by annealing at 800 °C in 10%H 2 −90%Ar. Transmission electron microscope images confirm the shapes of the embedded nanocrystals. X-ray diffraction patterns reveal that the Au and Au…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNonlinear Optical Materials Studies

Hydrogen density-of-states distribution in zinc oxide

N. H. Nickel、K. Brendel2003-11-14Physical review. B, Condensed matter

The presence of hydrogen in zinc oxide gives rise to n-type conductivity. Hydrogen effusion measurements performed on single-crystal ZnO and sputtered ZnO films directly reveal H concentrations of about $5.2\ifmmode\times\else\texttimes\fi{}{10}^{16}{\mathrm{cm}}^{\ensuremath{-}3}$ and up to $3.0\ifmmode\times\else\te…

ZnO doping and propertiesPerovskite Materials and ApplicationsGas Sensing Nanomaterials and Sensors

Vibrational spectra of arsenic triiodide: a lattice dynamics study

W. Y. Zeng、A. Anderson2003-11-14Journal of Raman Spectroscopy

Abstract A simple force constant model is described and applied to the vibrations of the layered molecular crystal of arsenic triiodide. The model uses nine adjustable parameters (three intramolecular and six intermolecular) to calculate the wavenumbers of 14 optical normal modes, and good agreement with observed Rama…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyInorganic Chemistry and Materials

Density Modification in X-Ray Crystallography

A. Podjarny、B. Rees、Alexandre Urzhumtsev2003-11-14Humana Press eBooks

Crystallographic models are built by interpretation of an experimental image, the electron density map. This map is generally calculated from amplitudes measured experimentally and phases obtained with the multiple isomorphous replacement method. This method has poor precision, generating errors in the phases and ther…

Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function

Energy Dispersive X-Ray Microanalysis

Don A. Samuelson2003-11-14Humana Press eBooks

In the past, the principal techniques of choice for analyzing tissue for various inorganic atomic species have been colometric and via atomic absorption spectrophotometry ( 1 ). Although both methods can be accurate and precise when performed in the same laboratory, there are disadvantages, which include interlaborato…

Machine Learning in Materials ScienceElectron and X-Ray Spectroscopy TechniquesAdvanced Materials Characterization Techniques

Electronic structure and the field emission mechanism of MgO-coated carbon nanotubes

Young‐Woo Son、Seungwu Han、Jisoon Ihm2003-11-14New Journal of Physics

In an attempt to improve the field emission (FE) characteristics of carbon nanotubes (CNTs), we have performed a first-principles study on MgO-coated CNTs. A MgO slab covering a CNT tip under a strong electric field shows dielectric screening behaviours with applied electric fields up to 0.3 V Å −1 and the effective d…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Lanthanum indium oxide from X-ray powder diffraction

Hyun Min Park、Hwack Joo Lee、Sang Hyun Park 等 4 位作者2003-11-14Acta Crystallographica Section C Crystal Structure Communications

LaInO(3), a promising ion conductor for a holistic solid oxide fuel cell, was synthesized by a solid-state reaction method. The structure was refined by the Rietveld method using X-ray powder diffraction data. The structure of LaInO(3) is distorted by the in-phase and antiphase tilting of oxygen octahedra in the a(+)b…

Advanced Condensed Matter PhysicsNuclear materials and radiation effectsX-ray Diffraction in Crystallography

Epitaxial Electrodeposition of Prussian Blue Thin Films on Single-Crystal Au(110)

Shuji Nakanishi、Guotao Lu、H. Kothari 等 5 位作者2003-11-14Journal of the American Chemical Society

Epitaxial Prussian blue (PB) films are deposited electrochemically onto a Au(110) substrate. High-resolution X-ray diffraction shows that the PB films have a [111] out-of-plane orientation. The very large lattice mismatch of 148% is reduced to about 1% by the formation of (1 x 2)PB(111)[onemacr;10]//(6 x 5)Au(110)[one…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research

Decoupling of the Magnetic and Structural Transformations inEr5Si4

V. K. Pecharsky、A. O. Pecharsky、Yurij Mozharivskyj 等 5 位作者2003-11-14Physical Review Letters

${\mathrm{E}\mathrm{r}}_{5}{\mathrm{S}\mathrm{i}}_{4}$ is a member of the ${R}_{5}({\mathrm{S}\mathrm{i}}_{4\ensuremath{-}x}{\mathrm{G}\mathrm{e}}_{x})$ family of alloys, where $R=\mathrm{r}\mathrm{a}\mathrm{r}\mathrm{e}$ earth metal. Many of these compounds display a strong coupling between the magnetic and crystal l…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsMagnetic Properties of Alloys

Influence of the pressure and power on the non-equilibrium plasma chemistry of C2, C2H, C2H2, CH3and CH4affecting the synthesis of nanodiamond thin films from C2H2(1%)/H2/Ar-rich plasmas

Francisco J. Gordillo‐Vázquez、J. M. Albella2003-11-14Plasma Sources Science and Technology

We have used a kinetic model to investigate the influence of changing the pressure (0.1–0.8 Torr) and power (100–300 W) on the non-equilibrium plasma chemistry of RF (13.56 MHz) produced C 2 H 2 (1%)/H 2 /Ar plasmas of interest for the synthesis of nanodiamond thin films. We found that the concentrations of the specie…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchDust and Plasma Wave Phenomena