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Molecular dynamics calculations of anion diffusion in nitrogen-doped yttria-stabilized zirconia

Martin Kilo、Thorsten Homann、Thomas Bredow2006-11-09The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

Anion diffusion was simulated in the system (Y0.2Zr0.8)–(O1.72N0.15) with the molecular dynamics (MD) technique using the program DL_POLY, employing empirical potentials of the Buckingham type. To describe nitrogen migration, nitrogen potentials had to be developed, assuming the interaction of charged nitrogen shells…

Advancements in Solid Oxide Fuel CellsZeolite Catalysis and SynthesisNuclear materials and radiation effects

Intrinsic inhomogeneity as origin of incomplete ferroelectricity

A. Bussmann‐Holder、A. R. Bishop2006-11-09Europhysics Letters (EPL)

Strontium titanate is an incipient ferroelectric where the freezing of the soft polar mode is inhibited by quantum fluctuations (Müller K. A. and Burhard H., Phys. Rev. B , 19 (1979) 3593). Exchanging 16 O by its isotope 18 O induces ferroelectricity at T c = 25 K (Itoh M., Wang R., Inaguma Y., Yamaguchi T., Shan Y. J…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

An Analysis on Enhancement of Fatigue Durability of Polyurethane by Incorporating Organoclay Nanofillers

Jie Jin、Lei Chen、Mo Song 等 4 位作者2006-11-09Macromolecular Materials and Engineering

Abstract Summary: One of the important applications of PUEs is as damping materials such as the spring aids used in cars, which need to have excellent cyclic fatigue durability. Our results show that the fatigue durability of PUE can be significantly improved by incorporating organoclay. The best result was obtained f…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingTribology and Wear Analysis

A New Technique for Preparing a Filled Type of Polymeric Gradient Material

Yongbin Zhu、Nanying Ning、Yang Sun 等 5 位作者2006-11-09Macromolecular Materials and Engineering

Abstract Summary: So‐called functionally gradient materials have received increased attention as a new type of composite whose microelements, including composition and structure, change spatially to optimize the gradient properties for a specific application. In this study, a new technique for continuously preparing a…

Polymer Nanocomposites and PropertiesSynthesis and properties of polymersTribology and Wear Analysis

Electrospinning in Near-Critical CO2

Zhihao Shen、Bowlin E. Thompson、Mark A. McHugh2006-11-09Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTElectrospinning in Near-Critical CO2Zhihao Shen, Bowlin E. Thompson, and Mark A. McHughView Author Information Philip Morris USA Postgraduate Research Program, 4201 Commerce Road, Richmond, Virginia 23234, and Department of Chemical…

Advanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical ApplicationsPolymer Foaming and Composites

Condensed Exponential Correlation Functions in Multicomponent Polymer Blends Measured by X-ray Photon Correlation Spectroscopy

Megan L. Ruegg、Amish J. Patel、Suresh Narayanan 等 7 位作者2006-11-09Macromolecules

X-ray photon correlation spectroscopy experiments were conducted on bicontinuous microemulsion and lamellar phases in polystyrene/polyisoprene/poly(styrene- b -isoprene) blends. Regardless of the microstructure, the scattering intensity autocorrelation function at low temperatures in the vicinity of the primary X-ray…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesBlock Copolymer Self-Assembly

Advances in Potassium Catalyzed NOx Reduction by Carbon Materials: An Overview

Agustín Bueno‐López、Avelina Garcı́a-Garcı́a、María José Illán Gómez 等 5 位作者2006-11-09Industrial & Engineering Chemistry Research

The research work conducted in our group concerning the study of the potassium-catalyzed NO x reduction by carbon materials is presented. The importance of the different variables affecting the NO x −carbon reactions is discussed, e.g. carbon porosity, coal rank, potassium loading, influence of the binder used, and ef…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingIndustrial Gas Emission Control

A Water Pipe Held Up by a Polyoxometalate Supported Transition Metal Complex: Synthesis and Characterization of [Cu2(phen)2(CH3COO)(CH3COOH)(H2O)2][Al(OH)6Mo6O18]·28H2O

Shivaiah Vaddypally、Tanmay Chatterjee、Khandregula Srinivasu 等 4 位作者2006-11-09European Journal of Inorganic Chemistry

Abstract A water pipe, formed exclusively from lattice water molecules, is stabilized in an organic–inorganic hybrid materialCu 2 (phen) 2 (CH 3 COO)(CH 3 COOH)(H 2 O) 2 ][Al(OH) 6 Mo 6 O 18 ] · 28H 2 O ( 1 ). Compound 1 consists of an Anderson‐type heteropolyanion, a copper acetate dimer, and 28 lattice water molecul…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Characterization

Thermal conductivity computed for vitreous silica and methyl-doped silica above the plateau

Yu Xin、David M. Leitner2006-11-09Physical Review B

The thermal conductivity of carbon-doped silicon dioxide films, fabricated to potentially serve as interlayer materials with low dielectric permittivity in small circuits, has been recently measured [B. C. Daly et al., Physica B 316-317, 254 (2002)]. Trends in the results were found to be inconsistent with the minimum…

Material Dynamics and PropertiesGlass properties and applicationsThermal properties of materials

Assignment of theG+andG−Raman bands of metallic and semiconducting carbon nanotubes based on a common valence force field

E. Donato、Matteo Tommasini、Chiara Castiglioni 等 4 位作者2006-11-09Physical Review B

We propose a model for calculating the phonon frequencies of any $(n,m)$ nanotube by considering explicitly the curvature of the system and the effects of long-range interactions determined by $\ensuremath{\pi}$ electrons. We show that the electron-phonon coupling strength is directly related to the electronic structu…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Synthesis, Structural Characterization, and Properties of Aluminum (III) meso-Tetraphenylporphyrin Complexes Axially Bonded to Phosphinate Anions

Sébastien Richeter、Julien Thion、Arie van der Lee 等 4 位作者2006-11-09Inorganic Chemistry

Aluminum (III) meso-tetraphenylporphyrins axially bonded to phosphinate anions have been synthesized and characterized by NMR and UV-visible spectroscopy, single-crystal X-ray diffraction, and FAB+ mass spectrometry. According to the solvent and the size of the anion, these compounds are able to self-assemble in two d…

Molecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine Chemistry

Preparation of Mesoporous Pd/Si3N4 Nanocomposites as Heterogeneous Catalysts via Three Different Chemical Routes

Fei Cheng、Stephen M. Kelly、Nigel A. Young 等 9 位作者2006-11-09Chemistry of Materials

Mesoporous palladium/silicon nitride nanocomposites were prepared via three different chemical routes to generate simultaneous control of the solid-state morphology of the palladium nanoparticles and that of the silicon nitride support at the same time as controlling the pore size and size distribution. Pyrolysis of t…

Advanced ceramic materials synthesisCatalytic Processes in Materials ScienceNanomaterials for catalytic reactions

pH Effect on the Mechanical Performance and Phase Mobility of Thermally Processed Wheat Gluten-Based Natural Polymer Materials

Xiaoqing Zhang、Pam Hoobin、Iko Burgar 等 4 位作者2006-11-09Biomacromolecules

The mechanical properties, phase composition, and molecular motions of thermally processed wheat gluten- (WG-) based natural polymer materials were studied by mechanical testing, dynamic mechanical analysis (DMA), and solid-state NMR spectroscopy. The performance of the materials was mainly determined by the denaturiz…

Food composition and propertiesNanocomposite Films for Food Packagingbiodegradable polymer synthesis and properties

Dynamic control of lattice spacing within colloidal crystals

D. R. E. Snoswell、Chris L. Bower、Pavlo Ivanov 等 6 位作者2006-11-09New Journal of Physics

In this study, we demonstrate reversible changes in lattice spacing within colloidal crystals controlled by an electric field. Crystals are assembled from negatively charged, monodisperse latex particles (945 nm) in an aqueous dispersion, by the application of an alternating electric field (1 kHz, ∼35 kV m −1 ). The l…

Plant and animal studiesPhotonic Crystals and ApplicationsPickering emulsions and particle stabilization

Inactivation of tyrosine phenol‐lyase by Pictet–Spengler reaction and alleviation by T15A mutation on intertwined N‐terminal arm

Seung‐Goo Lee、Seungpyo Hong、Do Young Kim 等 6 位作者2006-11-09FEBS Journal

Citrobacter freundiil-tyrosine phenol-lyase (TPL) was inactivated by a Pictet-Spengler reaction between the cofactor and a substrate, 3,4-dihydroxyphenyl-L-alanine (L-dopa), in proportion to an increase in the reaction temperature. Random mutagenesis of the tpl gene resulted in the generation of a Thr15 to Ala mutant…

Bacterial Genetics and BiotechnologyEnzyme Structure and FunctionBiochemical and Molecular Research

Polyimide Fibers Obtained by Spinning Lyotropic Solutions of Rigid‐Rod Aromatic Poly(amic ethyl ester)s

Christian Neuber、Hans‐Werner Schmidt、Reiner Giesa2006-11-09Macromolecular Materials and Engineering

Abstract Summary: Fibers were spun from a lyotropic solution of a high‐molecular‐weight ( η = 5.89 g · dL −1 ), rigid‐rod, fully aromatic polyimide precursor polymer in a dry‐jet, wet‐spinning process in NMP. Acetone was identified as the coagulant of choice since fibers could be drawn extensively in this solvent, res…

Epoxy Resin Curing ProcessesSynthesis and properties of polymersTribology and Wear Analysis

Tight-binding theory ofZnS∕CdSnanoscale heterostructures: Role of strain anddorbitals

J. G. Dı́az、Michał Zieliński、W. Jaskólski 等 4 位作者2006-11-09Physical Review B

The electronic and optical properties of colloidal multishell $\mathrm{Zn}\mathrm{S}∕\mathrm{Cd}\mathrm{S}$ nanoscale heterostructures have been studied in the framework of empirical tight-binding models. Our approach takes into account the effects of the strain caused by the large lattice mismatch at the interface be…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Monomodal Polyelectrolyte Complex Nanoparticles of PDADMAC/Poly(styrenesulfonate): Preparation and Protein Interaction

Wuye Ouyang、Martin Müller2006-11-09Macromolecular Bioscience

The binding of the model proteins HSA, LYZ and MYO to PEC nanoparticles is reported. PEC particles were prepared by mixing solutions of PDADMAC either with PSS or PMA-MS, followed by consecutive centrifugation. Monomodal anionic (PEC-1.50) and cationic (PEC-0.66) PEC particles were obtained using non-stoichiometric mi…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Second-harmonic generation in thermally poled chalcohalide glass

Ren Jing、Guang Yang、Huidan Zeng 等 8 位作者2006-11-09Optics Letters

Second-harmonic generation in 60GeS(2)-20Ga(2)S(3)-20KBr chalcohalide glass was investigated by the thermal poling method. A large second-order nonlinear susceptibility, as high as 7.0 pm/V, was obtained in a poled sample by Maker fringe analysis. We believe this to be the first time that a clear second-harmonic wave…

Glass properties and applicationsPhotorefractive and Nonlinear OpticsPhase-change materials and chalcogenides

A Hydrophobic Patch in a Charged α-Helix Is Sufficient to Target Proteins to Dense Core Secretory Granules

Jimmy D. Dikeakos、Marie‐Josée Lacombe、Chantal Mercure 等 5 位作者2006-11-09Journal of Biological Chemistry

Many endocrine and neuroendocrine cells contain specialized secretory organelles called dense core secretory granules. These organelles are the repository of proteins and peptides that are secreted in a regulated manner when the cell receives a physiological stimulus. The targeting of proteins to these secretory granu…

Cellular transport and secretionSupramolecular Self-Assembly in MaterialsPeptidase Inhibition and Analysis