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PHENIX: a comprehensive Python-based system for macromolecular structure solution

Paul D. Adams、Pavel V. Afonine、G. Bunkóczi 等 18 位作者2010-01-21OpenAlex

Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required to solve and complete many of these structures because of the need for manual interpretation of complex numerical data using many software packages…

Protein Structure and DynamicsMicrobial Metabolic Engineering and BioproductionEnzyme Structure and Function

Reduction Behaviors of Nitric Oxides on Copper-decorated Mesoporous Molecular Sieves

Ki-Sook Cho、Byung-Joo Kim、Seok Kim 等 5 位作者2010-01-20Bulletin of the Korean Chemical Society

In this study, NO reduction behaviors of copper-loaded mesoporous molecular sieves (Cu/MCM-41) have been investigated. The Cu loading on MCM-41 surfaces was accomplished by a chemical reduction method with different Cu contents (5, 10, 20, and 40%). <TEX>$N_2/77$</TEX> K adsorption isotherm characteristics, including…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisAmmonia Synthesis and Nitrogen Reduction

Polycondensations of Substituted Maleic Anhydrides and 1,6-Hexanediol Catalyzed by Metal Triflates

Takao Yashiro、Hans R. Kricheldorf、Saskia Huijser2010-01-20Journal of Macromolecular Science Part A

Polycondensations of methylmaleic anhydride (citraconic anhydride, CiAh), bromomaleic anhydride (BMaAh), and dichloromaleic anhydride (DCMaAh) with 1,6-hexanediol were conducted in bulk. For polycondensations of CiAh, the triflates of aluminum, bismuth, lanthanum, magnesium, samarium, and scandium were used as catalys…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisSynthesis and properties of polymers

Effects of Fluorine Atom Substitution of Graphene Edge Site on the Diffusion of Lithium Ion

Hiroto Tachikawa、Tetsuji Iyama、Hiroshi Kawabata2010-01-20Japanese Journal of Applied Physics

Direct molecular orbital–molecular dynamics (MO–MD) method has been applied to diffusion processes of the Li + ion on a modified graphene surface. A graphene sheet composed of carbon, fluorine and hydrogen atoms were used as a model graphene (Li + C 150 H 3 F 27 , denoted by FH-graphene). The edges of graphene were te…

Advancements in Battery MaterialsGraphene research and applicationsMuon and positron interactions and applications

Simulation of polyester melt spinning with axial quench for increasing productivity

P.T. Sumesh、Tanuj Mathur、U. S. Agarwal2010-01-20Journal of Applied Polymer Science

Abstract Production of polyester filament involves melt spinning into partially oriented yarn (POY), followed by drawing to enhance the bulk and mechanical properties. The industrial demand of increasing productivity is generally met by increasing POY melt spinning speeds, which is limited by increasing polymer chain…

Textile materials and evaluationsVibration and Dynamic AnalysisMaterial Properties and Processing

L-Dopa Synthesis on Conducting Polymers

Huriye Erdoğan、Sevinc Tuncagil、Levent Toppare2010-01-20Journal of Macromolecular Science Part A

With regards to the synthesis of L-Dopa (l-3,4-dihydroxy phenylalanine) two types of biosensors were designed by immobilizing tyrosinase on conducting polymers; polypyrrole (PPy) and poly(3,4-ethylenedioxythiophene) (PEDOT). PPy and PEDOT were synthesized electrochemically and tyrosinase immobilized by entrapment duri…

Electrochemical sensors and biosensorsConducting polymers and applicationsAdvanced Chemical Sensor Technologies

Optical processing devices based on a‐SiC:H multilayer architectures

M. Vieira、M. Vieira、P. Louro 等 9 位作者2010-01-20Physica status solidi. C, Conferences and critical reviews/Physica status solidi. C, Current topics in solid state physics

Abstract Red, green and blue optical signals were directed to an a‐SiC:H multilayered device, each one with a specific transmission rate. The combined optical signal was analyzed by reading out, under different applied voltages, the generated photocurrent. Results show that when a chromatic time dependent wavelength c…

GaN-based semiconductor devices and materialsThin-Film Transistor TechnologiesSilicon Nanostructures and Photoluminescence

Possible domain-type collective dimerization of graphite induced by interlayer charge transfer excitations in the visible region

Łukasz Radosiński、Keiichirō Nasu、Tadeusz Luty 等 4 位作者2010-01-20Physical Review B

We theoretically study possible domain-type collective dimerizations of graphite induced by interlayer charge transfer excitations in the visible region. Using the semiempirical Brenner's model, we have calculated the adiabatic energy along the path that starts from original two distant graphite layers and finally rea…

Graphene research and applicationsQuantum and electron transport phenomenaMolecular Junctions and Nanostructures

Stability of a gradient elastic beam compressed by non‐conservative forces

K.A. Lazopoulos、K.A. Lazopoulos2010-01-20ZAMM ‐ Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik

Abstract The critical loads for five non‐conservative problems are defined under the context of gradient elasticity theory of a beam. The first problem deals with the stability of a gradient elastic beam compressed by a follower force (Beck's problem) and the second deals with the stability of a gradient elastic beam…

Composite Structure Analysis and OptimizationThermoelastic and Magnetoelastic PhenomenaNonlocal and gradient elasticity in micro/nano structures

Microwave-Assisted Self-Organization of Colloidal Particles Inside Water-in-Oil Emulsions

Young-Sang Cho、Gi‐Ra Yi2010-01-20Journal of Dispersion Science and Technology

Commercial amidine polystyrene microspheres were self-organized to obtain colloidal microclusters from water-in-oil emulsion droplets as confining geometries. For demulsification process, microwave was irradiated to remove water droplets selectively resulting in the shrinkage of water droplets which induces inward cap…

Surfactants and Colloidal SystemsInnovative Microfluidic and Catalytic Techniques InnovationPickering emulsions and particle stabilization

Multi-Methyl-Substituted Polyphenylquinoxalines with High Solubility and High Glass Transition Temperatures: Synthesis and Characterization

Cheng Li、Zhuo Li、Jingang Liu 等 5 位作者2010-01-20Journal of Macromolecular Science Part A

New polyphenylquinoxalines (PPQs) containing methyl substituents have been synthesized and characterized. The PPQs were prepared by the polycondensation of a newly-developed aromatic tetraketone, 4,4′ -bis(4-benzilyloxy)-3,3′,5,5′ -tetramethylbiphenyl (III) and aromatic tetraamines. Compared with the non-methyl-substi…

Organic Electronics and PhotovoltaicsSynthesis and properties of polymersSynthesis and Biological Evaluation

Multi-Dimensional Liquid Crystal Alignment Effect of Polymer Wall on Vertically Aligned Liquid Crystal Cell

Dong Han Song、Seong Ryong Lee、Tae‐Hoon Yoon 等 4 位作者2010-01-20Japanese Journal of Applied Physics

This paper investigates the multi-dimensional liquid crystal (LC) alignment effect of a polymer wall. The polymer wall is formed on the pixel boundary by an anisotropic phase separation method, which affects the nearby LC orientation. Vertically aligned (VA) LC cells are fabricated in order to show the effect of the p…

Liquid Crystal Research AdvancementsPhase-change materials and chalcogenidesMolecular spectroscopy and chirality

Nanoimprinting Pre-Patterned Effects on Anodic Aluminum Oxide

Sheng‐Hui Chen、Der-Sheng Chan、Chun-Ko Chen 等 6 位作者2010-01-20Japanese Journal of Applied Physics

Periodic concaves have been fabricated on the initial aluminum surface using nanoimprint and anodization processes to obtain high order nanostructured anodic aluminum oxide (AAO) arrays. The effect of the pattern design process on the one- and two-dimensional structures is investigated. Both the experimental and simul…

Nanowire Synthesis and ApplicationsNanofabrication and Lithography TechniquesAnodic Oxide Films and Nanostructures

Optical properties of amorphous Sb2Se3:Sn films

Praveen Kumar、T.S. Sathiaraj、R. Thangaraj2010-01-20Philosophical Magazine Letters

The measurements and analysis of optical transmission and far-infrared (IR) reflectivity spectra of thermally evaporated Sb2Se3:Sn films are reported. The refractive index and film thickness have been determined from the upper and lower envelopes of the transmission spectra (Swanepoel's standard envelope method), meas…

Glass properties and applicationsChalcogenide Semiconductor Thin FilmsPhase-change materials and chalcogenides

Crystallization studies on linear aliphatic polyamides derived from naturally occurring carbohydrates

Carlos Escalante Fernández、Marta Bermúdez、Abdelilah Alla 等 9 位作者2010-01-20Journal of Applied Polymer Science

Abstract The thermal behavior of three series of sugar‐derived polyamides (PA‐ n Su) made from the arabinaric, mannaric and galactaric acids, respectively, and α,ω‐alkanediamines containing from 6 to 12 methylene units was investigated by DSC supported by polarizing optical microscopy. Crystallization from the melt un…

Polymer crystallization and propertiesNatural Fiber Reinforced Compositesbiodegradable polymer synthesis and properties

Characterisation of intermetallic phases in an Mg–Y–Ag–Zn casting alloy

Yuman Zhu、A.J. Morton、J.F. Nie2010-01-20Philosophical Magazine Letters

The addition of Ag to Mg–Y–Zn alloys provides these alloys with the ability to develop a strong age-hardening response. In this work, the as-cast microstructure of an age-hardenable Mg–6Y–2Ag–1Zn–0.6Zr (wt%) alloy processed by conventional ingot metallurgy has been investigated by a transmission electron microscopy. T…

Metal and Thin Film MechanicsMagnesium Alloys: Properties and ApplicationsAluminum Alloys Composites Properties

Possibility of measuring intrinsic electronic correlations in graphene using ad-wave contact Josephson junction

Annica M. Black‐Schaffer、Sebastian Doniach2010-01-20Physical Review B

Using a tight-binding Bogoliubov--de Gennes formalism we show that nearest-neighbor spin-singlet (SB) correlations in graphene strongly enhance proximity effect and Josephson current in unconventional $d$-wave contact graphene Josephson junctions. We also establish a $1/(T\ensuremath{-}{T}_{c})$ functional dependence…

Physics of Superconductivity and MagnetismGraphene research and applicationsQuantum and electron transport phenomena

Performance and Byproduct Analysis of Coal Gas Solid Oxide Fuel Cell

Rahul Singh、Felipe Guzmán、Rajesh Khatri 等 4 位作者2010-01-20Energy & Fuels

The direct electrochemical oxidation of coal gas was studied by pyrolyzing a sample of Ohio #5 coal in flowing Ar at 700, 800, 900, and 950 °C and transporting the resulting gaseous products to a Cu (Copper) anode solid oxide fuel cell (SOFC) operated at 950 °C. Pyrolysis of coal at 700 °C produced a H 2 -rich coal ga…

Advancements in Solid Oxide Fuel CellsFuel Cells and Related MaterialsChemical Looping and Thermochemical Processes

Dissociation of the Octameric Enolase from S. Pyogenes - One Interface Stabilizes Another

Farhad Karbassi、Veronica Quiros、Vijay Pancholi 等 4 位作者2010-01-20PLoS ONE

Most enolases are homodimers. There are a few that are octamers, with the eight subunits arranged as a tetramer of dimers. These dimers have the same basic fold and same subunit interactions as are found in the dimeric enolases. The dissociation of the octameric enolase from S. pyogenes was examined, using NaClO(4), a…

Protein Structure and DynamicsEnzyme Structure and FunctionS100 Proteins and Annexins

Band-Bending at the Graphene–SiC Interfaces: Effect of the Substrate

Wei Chen、Shi Chen、Zhenhua Ni 等 8 位作者2010-01-20Japanese Journal of Applied Physics

In-situ synchrotron-based photoemission spectroscopy, low-temperature scanning tunneling microscopy and Raman spectroscopy are used to investigate the interface properties of graphene on both the (0001) and (0001) 6H-SiC (Si- and C-terminated surfaces). We clearly observe the upward band-bending upon the formation of…

Graphene research and applicationsDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research