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pH Dependence of Catalysis by Pseudomonas aeruginosa Isochorismate–Pyruvate Lyase: Implications for Transition State Stabilization and the Role of Lysine 42

José Olucha、Andrew N. Ouellette、Qianyi Luo 等 4 位作者2011-07-13Biochemistry

An isochorismate-pyruvate lyase with adventitious chorismate mutase activity from Pseudomonas aerugionsa (PchB) achieves catalysis of both pericyclic reactions in part by the stabilization of reactive conformations and in part by electrostatic transition-state stabilization. When the active site loop Lys42 is mutated…

Protein Structure and DynamicsEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Quantum spin Hall effect in graphene nanoribbons: Effect of edge geometry

Jun‐Won Rhim、Kyungsun Moon2011-07-13Physical Review B

There has been tremendous recent progress in realizing topological insulator initiated by the proposal of Kane and Mele for the graphene system. They have suggested that the odd ${Z}_{2}$ index for the graphene manifests the spin-filtered edge states for the graphene nanoribbons, which lead to the quantum spin Hall ef…

Graphene research and applicationsQuantum and electron transport phenomenaTopological Materials and Phenomena

Growth of a Plate-Shaped SrTiO3–TiO2 Eutectic

Krzysztof Bieńkowski、S. Turczyński、R. Diduszko 等 6 位作者2011-07-13Crystal Growth & Design

Eutectic materials have potential as photoactive materials, due to their multiphase character (various available photoactive component phases and multiple band gap energies) and high crystallinity. However, larger material samples are needed to demonstrate it. In order to overcome this limitation, the growth of a plat…

Advanced Photocatalysis TechniquesFerroelectric and Piezoelectric MaterialsElectronic and Structural Properties of Oxides

Synthesis of carbon-encapsulated iron nanoparticles by pyrolysis of iron citrate and poly(vinyl alcohol): a critical evaluation of yield and selectivity

M. Bystrzejewski、R. Klingeler、Thomas Gemming 等 5 位作者2011-07-13Nanotechnology

Carbon-encapsulated iron nanoparticles were synthesized by pyrolysis at 1000 °C of two solid precursors: poly(vinyl alcohol) and iron citrate. The weight ratio between the precursors controlled the reaction yield, crystallinity, morphological features and magnetic properties of the products. The encapsulation yield of…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchPolymer Nanocomposites and Properties

Upper critical field anisotropy in BaFe2−xCoxAs2single crystals synthesized without flux

K. Vinod、A. T. Satya、Shilpam Sharma 等 5 位作者2011-07-13Physical Review B

The upper critical field was measured up to 12 T for three BaFe${}_{2\ensuremath{-}\mathrm{x}}$Co${}_{\mathrm{x}}$As${}_{2}$ single crystals with estimated Co concentrations of $x$ $=$ 0.082, $x$ $=$ 0.117, and $x$ $=$ 0.143. ${H}_{\mathrm{C}2}$ versus temperature was measured from temperature-dependent resistivity fo…

Physics of Superconductivity and MagnetismIron-based superconductors researchSuperconductivity in MgB2 and Alloys

Numerical analysis of a new model for the processes of the one-dimensional case of metal crystallization

Yu. G. Rykov、N. A. Zaitsev2011-07-13Mathematical Models and Computer Simulations

The numerical analysis of a new model of metal crystallization is performed. The novelty of the model, which has recently appeared in publications, consists in modeling that is simultaneously carried out at several scale levels, from micro-to macroscales. Although experimental studies of metal crystallization revealed…

Theoretical and Computational PhysicsSolidification and crystal growth phenomenaAdvanced Mathematical Modeling in Engineering

Processing of Ceramic Preforms for TRIP‐Matrix‐Composites

Manuel Hasterok、Claudia Wenzel、Christos G. Aneziris 等 5 位作者2011-07-13steel research international

Abstract Metal matrix composites have been produced by conventional infiltration of ceramic preforms. The magnesia partially stabilised ceramic foams were prepared by replication method. In terms of the present paper the second process step that comprises the cold spraying of the impregnated foam is optimised. The spr…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Screening in graphene antidot lattices

M. H. Schultz、Antti‐Pekka Jauho、Thomas Garm Pedersen2011-07-13Physical Review B

We compute the dynamical polarization function for a graphene antidot lattice in the random-phase approximation. The computed polarization functions display a much more complicated structure than what is found for pristine graphene (even when evaluated beyond the Dirac-cone approximation); this reflects the miniband s…

Graphene research and applications2D Materials and ApplicationsGraphene and Nanomaterials Applications

Structure of Bottle Brush Polymers on Surfaces: Weak versus Strong Adsorption

Hsiao‐Ping Hsu、Wolfgang Paul、Kurt Binder2011-07-13The Journal of Physical Chemistry B

Large-scale Monte Carlo simulations are presented for a coarse-grained model of cylindrical molecular brushes adsorbed on a flat structureless substrate, varying both the chain length N of the side chains and the backbone chain length N(b). For the case of good solvent conditions, both the cases of weak adsorption (on…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesNanofabrication and Lithography Techniques

K2Ca3Si3O10, a novel trisilicate: high-pressure synthesis, structural, spectroscopic and computational studies

Erik Arroyabe、Felix Prechtel、Daniel M. Többens 等 5 位作者2011-07-13European Journal of Mineralogy

Single crystals of K 2 Ca 3 Si 3 O 10 have been obtained in a multi-anvil high-pressure synthesis experiment performed at 10 GPa and 1000 °C. The compound adopts the monoclinic space group C 2/ c with four formula units per cell and the following lattice parameters (at 25 °C): a = 10.3539(19) A, b = 10.6013(16) A, c =…

High-pressure geophysics and materialsCrystallography and molecular interactionsCrystal Structures and Properties

Structural hierarchies define toughness and defect-tolerance despite simple and mechanically inferior brittle building blocks

Dipanjan Sen、Markus J. Buehler2011-07-13Scientific Reports

Mineralized biological materials such as bone, sea sponges or diatoms provide load-bearing and armor functions and universally feature structural hierarchies from nano to macro. Here we report a systematic investigation of the effect of hierarchical structures on toughness and defect-tolerance based on a single and me…

Bone Tissue Engineering MaterialsMetal and Thin Film MechanicsCalcium Carbonate Crystallization and Inhibition

The Synthesis of Chiral Periodic Organosilica Materials with Ultrasmall Mesopores

Xiaowei Wu、Thomas Blackburn、Jonathan D. Webb 等 5 位作者2011-07-13Angewandte Chemie International Edition

Helical organosilica materials were synthesized for the first time using a novel binaphthyl-based chiral co-monomer in less than 1 hour. The incorporation of a chiral co-monomer in the wall was shown to influence the curvature of the helical materials. As the amount of the chiral co-monomer was increased, the degree o…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsCovalent Organic Framework Applications

Investigation of Antireflective Porous Silicon Coating for Solar Cells

Hyukyong Kwon、Jaedoo Lee、Minjeong Kim 等 4 位作者2011-07-13ISRN Nanotechnology

Solar cell is device that directly converts the energy of solar radiation to electrical energy. So it is important for solar cell to reduce the surface reflection of light in order to improve the efficiency of the device. Texturing and antireflection coating have been used to reduce the reflection of light. Texturing…

Silicon and Solar Cell TechnologiesSilicon Nanostructures and Photoluminescence

Compact and Accurate Models of Large Single-Wall Carbon-Nanotube Interconnects

Francesco Ferranti、Giulio Antonini、Tom Dhaene 等 5 位作者2011-07-13IEEE Transactions on Electromagnetic Compatibility

Single-wall carbon nanotubes (SWCNTs) have been proposed for very large scale integration interconnect applications and their modeling is carried out using the multiconductor transmission line (MTL) formulation. Their time-domain analysis has some simulation issues related to the high number of SWCNTs within each bund…

Carbon Nanotubes in CompositesLow-power high-performance VLSI designElectromagnetic Compatibility and Noise Suppression

Polyethylene Nanocomposites Obtained by in situ Polymerization via a Metallocene Catalyst Supported on Silica Nanospheres

Paula A. Zapata、Raúl Quijada、Ingo Lieberwirth 等 4 位作者2011-07-13Macromolecular Reaction Engineering

Abstract Polyethylene (PE) nanocomposites were produced through in situ polymerization using bis( n ‐butylcyclopentadienyl) zirconium dichloride ( n BuCp) 2 ZrCl 2 supported on silica nanospheres (SN) with diameters of 80–100 nm synthesized by the sol–gel method. The metallocene catalyst was either supported directly…

Organometallic Complex Synthesis and CatalysisPolymer Nanocomposites and PropertiesSynthetic Organic Chemistry Methods

Coercivity enhancement driven by interfacial magnetic phase separation in SrTiO3(001)/Nd0.5Sr0.5CoO3

Manish Sharma、Jaume Gàzquez、M. Varela 等 5 位作者2011-07-13Physical Review B

Thin-film perovskite cobaltites have been found to exhibit coercivity values enhanced by almost 2 orders of magnitude in comparison to bulk. In this paper, we have investigated this unexplained coercivity enhancement in detail, focusing on epitaxial SrTiO${}_{3}$(001)/Nd${}_{0.5}$Sr${}_{0.5}$CoO${}_{3}$ [SrTiO${}_{3}=…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Characterization of hydrogen charging of 2205 duplex stainless steel and its correlation with hydrogen‐induced cracking

Haiwen Luo、Chaofang Dong、Z. Y. Liu 等 5 位作者2011-07-13Materials and Corrosion

Abstract The effect of various experimental conditions (i.e., hydrogen charging current density, charging time, solution concentration, and temperature) on the embrittlement and cracking susceptibility of 2205 duplex stainless steel was studied by electrochemical hydrogen charging and slow strain rate tests. The resul…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsNon-Destructive Testing Techniques

Effect of γ-Irradiation on the Dielectric and Conductivity Properties of Nano-Wollastonite

Sandhya Kulkarni、B.M. Nagabhushana、Narsimha Parvatikar 等 5 位作者2011-07-13ISRN Materials Science

Nanocrystalline porous CaSiO 3 ceramic powders have been synthesized by a novel low-temperature initiated self-propagating, gas-producing solution combustion method. Single phase β -CaSiO 3 (Wollastonite) is formed by calcination at 900°C for 3 h. The crystallization and phase formation temperatures in this method are…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisDielectric properties of ceramics

Solubility and stability of indomethacin in arginine-assisted solubilization system

Xiaodan Qi、Jing Zhang、Wei Wang 等 4 位作者2011-07-13Pharmaceutical Development and Technology

Indomethacin is a non-steroidal anti-inflammatory drug (NSAID).It is practically insoluble in water, which precludes its use in aqueous solution formulations. The effect of arginine on the solubility of indomethacin was investigated in this study. The solubility enhancement of indomethacin by the arginine was observed…

Drug Solubulity and Delivery SystemsProtein purification and stabilityCrystallization and Solubility Studies

Cationic Mn4 Single-Molecule Magnet with a Sterically Isolated Core

K.J. Heroux、Hajrah M. Quddusi、Junjie Liu 等 8 位作者2011-07-13Inorganic Chemistry

The synthesis, structure, and magnetic properties of a ligand-modified Mn(4) dicubane single-molecule magnet (SMM), [Mn(4)(Bet)(4)(mdea)(2)(mdeaH)(2)](BPh(4))(4), are presented, where the cationic SMM units are significantly separated from neighboring molecules in the crystal lattice. There are no cocrystallized solva…

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