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Neutron diffraction and atomistic simulation studies of Mg doped apatite-type oxide ion conductors

Emma Kendrick、Jonathan E.H. Sansom、Julian R. Tolchard 等 5 位作者2006-07-19Faraday Discussions

In this paper, detailed studies of the effect of Mg doping in the apatite-type oxide ion conductor La9.33Si6O26 are reported. Mg is confirmed as an ambisite dopant, capable of substituting for both La and Si, depending on the starting composition. A large enhancement in the conductivity is observed for Si site substit…

Advanced ceramic materials synthesisAdvancements in Solid Oxide Fuel CellsElectronic and Structural Properties of Oxides

Using arbitrary trial distributions to improve intramolecular sampling in configurational-bias Monte Carlo

Marcus G. Martin、Amalie L. Frischknecht2006-07-19Molecular Physics

A new formulation of configurational-bias Monte Carlo that uses arbitrary distributions to generate trial bond lengths, angles and dihedrals is described and shown to provide similar acceptance rates with substantially less computational effort. Several different trial distributions are studied and a linear combinatio…

Advanced Chemical Physics StudiesProtein Structure and DynamicsMachine Learning in Materials Science

Biocatalytic Synthesis of a Nanostructured and Crystalline Bimetallic Perovskite-like Barium Oxofluorotitanate at Low Temperature

Richard L. Brutchey、Edward S. Yoo、Daniel E. Morse2006-07-19Journal of the American Chemical Society

Silicatein, an enzymatic biocatalyst from the marine sponge Tethya aurantia, is demonstrated to catalyze and template the hydrolysis/condensation of the molecular precursor BaTiF6 at low temperature to form nanocrystalline BaTiOF4, an orthorhombic oxofluorotitanate. The kinetics of hydrolysis and growth were studied i…

Calcium Carbonate Crystallization and InhibitionDiatoms and Algae ResearchMarine Biology and Environmental Chemistry

Polymer brushes in cylindrical pores: Simulation versus scaling theory

Dimitar Dimitrov、Andrey Milchev、Kurt Binder2006-07-19The Journal of Chemical Physics

The structure of flexible polymers endgrafted in cylindrical pores of diameter D is studied as a function of chain length N and grafting density sigma, assuming good solvent conditions. A phenomenological scaling theory, describing the variation of the linear dimensions of the chains with sigma, is developed and teste…

Polymer Surface Interaction StudiesForce Microscopy Techniques and ApplicationsAdhesion, Friction, and Surface Interactions

Microbeam X-ray Diffraction and Enzymatic Degradation of Poly[(R)-3-hydroxybutyrate] Fibers with Two Kinds of Molecular Conformations

Tadahisa Iwata、Yoshihiro Aoyagi、Toshihisa Tanaka 等 7 位作者2006-07-19Macromolecules

A new core−sheath structure constructed by two kinds of molecular conformations 2/1 helix (α-form) and planar zigzag (β-form) conformations in biodegradable poly[( R )-3-hydroxybutyrate] (P(3HB)) fiber was revealed by 0.5 μm microbeam X-ray diffraction in synchrotron radiation. P(3HB) fiber processed by a method combi…

biodegradable polymer synthesis and propertiesMicroplastics and Plastic PollutionCarbon dioxide utilization in catalysis

Molecular Hydrogels from Bile Acid Analogues with Neutral Side Chains: Network Architectures and Viscoelastic Properties. Junction Zones, Spherulites, and Crystallites: Phenomenological Aspects of the Gel Metastability

Pierre Térech、Neralagatta M. Sangeetha、Uday Maitra2006-07-19The Journal of Physical Chemistry B

Structural and rheological properties of hydrogels made up of neutral bile acid derivatives are studied. Complementary scattering, diffraction, and microscopy techniques provide a precise structural description of the network architecture and its variation as a function of concentration, aging time, composition of the…

Protein Structure and DynamicsHydrogels: synthesis, properties, applicationsSupramolecular Self-Assembly in Materials

Crystalline Polymers in Nanoscale 1D Spatial Confinement

Ya‐Sen Sun、Tsai-Ming Chung、Yi-Jing Li 等 7 位作者2006-07-19Macromolecules

A series of semicrystalline block copolymers, poly(4-vinylpyridine)- block -poly(ε-caprolactone) (P4VP−PCL), with lamellar microstructure have been synthesized. Owing to the vitrified P4VP microdomains and strongly segregated microphase separation, the crystallization of the PCL blocks in P4VP−PCL was carried out with…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and CharacterizationBlock Copolymer Self-Assembly

Raman spectroscopy of nanocrystalline diamond: Anab initioapproach

Jacob Filik、Jeremy N. Harvey、Neil L. Allan 等 7 位作者2006-07-19Physical Review B

The use of Raman spectroscopy to detect nano-sized diamond crystals is controversial; the origins of peaks at $\ensuremath{\sim}1150\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ in chemical vapor deposition nanodiamond films and $\ensuremath{\sim}500\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchAdvanced Fiber Laser Technologies

Hybrid Polyoxotungstates as Second-Generation POM-Based Catalysts for Microwave-Assisted H2O2 Activation

Mauro Carraro、Luca Sandei、Andrea Sartorel 等 5 位作者2006-07-19Organic Letters

[structure: see text] Organic-inorganic hybrids synthesized from lacunary polyoxotungstates (POMs) have been screened as oxidation catalysts with H2O2 under MW irradiation. Yields up to 99% have been obtained in 25-50 min depending both on the POM structure and on the organic moiety. The reaction scope, optimized with…

Polyoxometalates: Synthesis and ApplicationsChemical Synthesis and ReactionsSulfur-Based Synthesis Techniques

Intrinsic ferromagnetism in wurtzite (Ga,Mn)N semiconductor

Eirini Sarigiannidou、F. Wilhelm、E. Monroy 等 9 位作者2006-07-19Physical Review B

Intrinsic ferromagnetism in the high-quality wurtzite ${\mathrm{Ga}}_{0.937}{\mathrm{Mn}}_{0.063}\mathrm{N}$ semiconductor is unambiguously demonstrated by both macroscopic magnetization measurements and x-ray magnetic circular dichroism. The structural quality of the samples grown by plasma-assisted molecular beam ep…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsGa2O3 and related materials

High-Capacity, Protein-Binding Membranes Based on Polymer Brushes Grown in Porous Substrates

Lei Sun、Jinhua Dai、Gregory L. Baker 等 4 位作者2006-07-19Chemistry of Materials

The use of atom transfer radical polymerization to grow poly(2-hydroxyethyl methacrylate) (PHEMA) brushes in porous alumina followed by functionalization of the PHEMA with nitrilotriacetate−Cu 2+ complexes yields membranes that adsorb proteins via coordination of Cu 2+ to histidine residues. Adsorption isotherms show…

Membrane Separation TechnologiesPolymer Surface Interaction StudiesProtein purification and stability

Control of Acetyl-Coenzyme A Synthetase (AcsA) Activity by Acetylation/Deacetylation without NAD + Involvement in Bacillus subtilis

Jeffrey G. Gardner、Frank J. Grundy、Tina M. Henkin 等 4 位作者2006-07-19Journal of Bacteriology

Posttranslational modification is an efficient mechanism for controlling the activity of structural proteins, gene expression regulators, and enzymes in response to rapidly changing physiological conditions. Here we report in vitro and in vivo evidence that the acuABC operon of the gram-positive soil bacterium Bacillu…

Enzyme Structure and FunctionBiochemical and Molecular ResearchNeurological diseases and metabolism

Electron Localization Properties in Graphene

D. V. Khveshchenko2006-07-19Physical Review Letters

We study localization properties of the Dirac-like electronic states in monolayers of graphite. In the framework of a general disorder model, we discuss the conditions under which such standard localization effects as the logarithmic temperature-dependent conductivity correction appear to be strongly suppressed, as co…

Graphene research and applicationsQuantum and electron transport phenomenaTopological Materials and Phenomena

Carbons with Extremely Large Volume of Uniform Mesopores Synthesized by Carbonization of Phenolic Resin Film Formed on Colloidal Silica Template

Kamil P. Gierszal、Mietek Jaroniec2006-07-19Journal of the American Chemical Society

Mesoporous carbons with extremely large pore volume ( approximately 6 cm3/g) and narrow bimodal pore size distribution were synthesized by using 24 nm silica colloids as template.

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisCovalent Organic Framework Applications

Two-Phase Synthesis of Shape-Controlled Colloidal Zirconia Nanocrystals and Their Characterization

Nana Zhao、Daocheng Pan、Wei Nie 等 4 位作者2006-07-19Journal of the American Chemical Society

We have developed a two-phase approach for the synthesis of shape-controlled colloidal zirconia nanocrystals, including spherical-, teardrop-, rod-, and rice grain-shaped particles. We found that the key factors for controlling the shape were the reaction time, the nature of the capping agent, and the monomer concentr…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceQuantum Dots Synthesis And Properties

Adsorption of DNA into Mesoporous Silica

Sean M. Solberg、Christopher C. Landry2006-07-19The Journal of Physical Chemistry B

In these experiments, double-stranded, linear DNA sequences were adsorbed into the pores of spherically shaped acid-prepared mesoporous silica (APMS). The lengths of the sequences were either 760 base pairs or 2000 base pairs. DNA adsorption into the interior of the mesoporous material was confirmed using confocal mic…

Advanced biosensing and bioanalysis techniquesZeolite Catalysis and SynthesisMesoporous Materials and Catalysis

Directed Self-Assembly of Gold-Tipped CdSe Nanorods

Asaf Salant、Ella Amitay-Sadovsky、Uri Banin2006-07-19Journal of the American Chemical Society

Gold-tipped CdSe rods (nanodumbbells) were solubilized in an aqueous phase and self-assembled in a head-to-tail manner using biotin disulfide and avidin. The disulfide end of the biotin molecule attaches to the gold tip of the nanodumbbell, and the biotin end of the molecule is able to conjugate to an avidin protein.…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And Properties

Behavior of Disordered Boron Carbide under Stress

Giovanni Fanchini、James W. McCauley、Manish Chhowalla2006-07-19Physical Review Letters

Gibbs free-energy calculations based on density functional theory have been used to determine the possible source of failure of boron carbide just above the Hugoniot elastic limit (HEL). A range of B4C polytypes is found to be stable at room pressure. The energetic barrier for shock amorphization of boron carbide is b…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research

Hexagonal versus perovskite phase of manganite R Mn O 3 ( R = Y , Ho , Er , Tm , Yb , Lu )

Jianshi Zhou、John B. Goodenough、J. M. Gallardo‐Amores 等 6 位作者2006-07-19Physical Review B

The floating-zone method and high-pressure synthesis have been used to obtain the hexagonal and the perovskite $R\mathrm{Mn}{\mathrm{O}}_{3}$ $(R=\mathrm{Y},\phantom{\rule{0.3em}{0ex}}\mathrm{Ho},\phantom{\rule{0.3em}{0ex}}\mathrm{Er},\phantom{\rule{0.3em}{0ex}}\mathrm{Tm},\mathrm{Yb},\phantom{\rule{0.3em}{0ex}}\mathr…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsThermal Expansion and Ionic Conductivity