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MetaMQAP: A meta-server for the quality assessment of protein models

Marcin Pawłowski、Michał J. Gajda、Ryszard Matlak 等 4 位作者2008-09-29BMC Bioinformatics

BACKGROUND: Computational models of protein structure are usually inaccurate and exhibit significant deviations from the true structure. The utility of models depends on the degree of these deviations. A number of predictive methods have been developed to discriminate between the globally incorrect and approximately c…

Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function

Fabrication and Size‐Selective Bioseparation of Magnetic Silica Nanospheres with Highly Ordered Periodic Mesostructure

Lei Zhang、Shi‐Zhang Qiao、Yonggang Jin 等 10 位作者2008-09-29Advanced Functional Materials

Abstract In this paper, we report a novel synthesis and selective bioseparation of the composite of Fe3O4 magnetic nanocrystals and highly ordered MCM‐41 type periodic mesoporous silica nanospheres. Monodisperse superparamagnetic Fe3O4 nanocrystals were synthesized by thermal decomposition of iron stearate in diol in…

Nanoparticle-Based Drug DeliveryMesoporous Materials and CatalysisIron oxide chemistry and applications

Achieving high Curie temperature in (Ga,Mn)As

M. Wang、R. P. Campion、A. W. Rushforth 等 6 位作者2008-09-29Applied Physics Letters

We study the effects of growth temperature, Ga:As ratio, and postgrowth annealing procedure on the Curie temperature TC of (Ga,Mn)As layers grown by molecular beam epitaxy. We achieve the highest TC values for growth temperatures very close to the two-dimensional–three-dimensional phase boundary. The increase in TC, d…

ZnO doping and propertiesGaN-based semiconductor devices and materialsGa2O3 and related materials

“High‐Tech”‐Anwendungen von supramolekularen nanostrukturierten Gelmaterialien – von der regenerativen Medizin bis hin zu elektronischen Bauelementen

Andrew R. Hirst、Beatriu Escuder、Juan F. Miravet 等 4 位作者2008-09-29Angewandte Chemie

Abstract Die Nanofabrikation wird sehr wahrscheinlich Teil vieler Technologien im 21. Jahrhundert sein. Dabei bietet die chemische Synthese einen effizienten Ansatz zur Herstellung von molekularen Strukturen, die sich zu funktionellen Nanoarchitekturen organisieren. Ein starkes Interesse an selbstorganisierenden niede…

Electrospun Nanofibers in Biomedical ApplicationsSupramolecular Self-Assembly in MaterialsSilk-based biomaterials and applications

Charge state of the O$_{2}$ molecule during silicon oxidation through hybrid functional calculations

Audrius Alkauskas、Peter Broqvist、Alfredo Pasquarello2008-09-29arXiv

We study the charge state of the diffusing O$_2$ molecule during silicon oxidation through hybrid functional calculations. We calculate charge transition levels of O$_2$ in bulk SiO$_2$ and use theoretical band offsets to align these levels with respect to the Si band edges. To overcome the band-gap problem of semiloc…

Materials Science

Carrier multiplication yields in PbS and PbSe nanocrystals measured by transient photoluminescence

Gautham Nair、Scott M. Geyer、Liang‐Yi Chang 等 4 位作者2008-09-29Physical Review B

We report here an assessment of carrier multiplication (CM) yields in PbSe and PbS nanocrystals (NCs) by a quantitative analysis of biexciton and exciton dynamics in transient photoluminescence decays. Interest in CM, the generation of more than one electron and hole in a semiconductor after absorption of one photon,…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNanocluster Synthesis and Applications

Structures, Physical Properties, and Chemistry of Layered Oxychalcogenides and Oxypnictides

Simon J. Clarke、Paul Adamson、Sebastian J. C. Herkelrath 等 7 位作者2008-09-29Inorganic Chemistry

A series of layered oxychalcogenide and oxypnictide solids is described that contain oxide layers separated by distinct layers, which contain the softer chalcogenide (S, Se, Te) or pnictide (P, As, Sb, Bi) anions. The relationships between the crystal structures adopted by these compounds are described, and the physic…

Rare-earth and actinide compoundsCorporate Taxation and AvoidanceIron-based superconductors research

Local work function measurements of epitaxial graphene

Tobin Filleter、K. V. Emtsev、Thomas Seyller 等 4 位作者2008-09-29Applied Physics Letters

The work function difference between single layer and bilayer graphene grown epitaxially on 6H-SiC(0001) has been determined to be 135±9 meV by means of the Kelvin probe force microscopy. Bilayer films are found to increase the work function as compared to single layer films. This method allows an unambiguous distinct…

Carbon Nanotubes in CompositesGraphene research and applicationsDiamond and Carbon-based Materials Research

The development of a high-performance perfluorinated polymer electret and its application to micro power generation

Yoshihiko Sakane、Yuji Suzuki、Nobuhide Kasagi2008-09-29Journal of Micromechanics and Microengineering

Recently, micro power generation using electrets has attracted much attention due to its large power output at a low frequency range. Since the theoretical power output is proportional to the square of the surface charge density of the electret, the development of a high-performance electret is required. In the presen…

Advanced Sensor and Energy Harvesting MaterialsHigh voltage insulation and dielectric phenomenaInnovative Energy Harvesting Technologies

Tunable reflection minima of nanostructured antireflective surfaces

Stuart A. Boden、Darren M. Bagnall2008-09-29Applied Physics Letters

Broadband antireflection schemes for silicon surfaces based on the moth-eye principle and comprising arrays of subwavelength-scale pillars are applicable to solar cells, photodetectors, and stealth technologies and can exhibit very low reflectances. We show that rigorous coupled wave analysis can be used to accurately…

Photonic and Optical DevicesPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Recent Progress in Oxide Thermoelectric Materials: p-Type Ca3Co4O9 and n-Type SrTiO3−

Hiromichi Ohta、Kenji Sugiura、Kunihito Koumoto2008-09-29Inorganic Chemistry

Thermoelectric energy conversion technology to convert waste heat into electricity has received much attention. In addition, metal oxides have recently been considered as thermoelectric power generation materials that can operate at high temperatures on the basis of their potential advantages over heavy metallic alloy…

Advanced Thermoelectric Materials and DevicesAdvanced Condensed Matter PhysicsThermal Expansion and Ionic Conductivity

Challenges of shape memory polymers: A review of the progress toward overcoming SMP's limitations

Ingrid A. Rousseau2008-09-29Polymer Engineering and Science

Abstract Many applications ranging from biomedical to aerospace have been proposed for the use of shape memory polymers (SMPs). To optimize SMPs properties for appropriately targeting such wide‐spreading application requirements, it becomes necessary to understand the structure/property relationships in SMPs. The lite…

Conducting polymers and applicationsPolymer composites and self-healingShape Memory Alloy Transformations

High‐Relaxivity MRI Contrast Agents: Where Coordination Chemistry Meets Medical Imaging

Eric J. Werner、Ankona Datta、Christoph J. Jocher 等 4 位作者2008-09-29Angewandte Chemie International Edition

The desire to improve and expand the scope of clinical magnetic resonance imaging (MRI) has prompted the search for contrast agents of higher efficiency. The development of better agents requires consideration of the fundamental coordination chemistry of the gadolinium(III) ion and the parameters that affect its effic…

Advanced MRI Techniques and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Measurement of the optical absorption spectra of epitaxial graphene from terahertz to visible

Jahan M. Dawlaty、Shriram Shivaraman、Jared H. Strait 等 9 位作者2008-09-29Applied Physics Letters

We present experimental results on the optical absorption spectra of epitaxial graphene from the visible to the terahertz frequency range. In the terahertz range, the absorption is dominated by intraband processes with a frequency dependence similar to the Drude model. In the near-IR range, the absorption is due to in…

Carbon Nanotubes in CompositesGraphene research and applicationsSilicon Nanostructures and Photoluminescence

High‐Tech Applications of Self‐Assembling Supramolecular Nanostructured Gel‐Phase Materials: From Regenerative Medicine to Electronic Devices

Andrew R. Hirst、Beatriu Escuder、Juan F. Miravet 等 4 位作者2008-09-29Angewandte Chemie International Edition

It is likely that nanofabrication will underpin many technologies in the 21st century. Synthetic chemistry is a powerful approach to generate molecular structures that are capable of assembling into functional nanoscale architectures. There has been intense interest in self-assembling low-molecular-weight gelators, wh…

Nanoplatforms for cancer theranosticsNeuropeptides and Animal PhysiologySupramolecular Self-Assembly in Materials

TiAlCN/VCN nanolayer coatings suitable for machining of Al and Ti alloys deposited by combined high power impulse magnetron sputtering/unbalanced magnetron sputtering

P.Eh. Hovsepian、Arutiun P. Ehiasarian、I. Petrov2008-09-28Surface Engineering

Nanoscale multilayer TiAlCN/VCN coatings with bilayer thickness Δ=2·2 nm were deposited by the combined high power impulse magnetron sputtering (HIPIMS)/unbalanced magnetron sputtering technology. The V+ HIPIMS etching produced atomically clean interface and V implantation resulting in enhanced coating adhesion LC=58…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchAdvanced materials and composites

Particle swarm optimization algorithm for partner selection in virtual enterprise

Qiang Zhao、Xinhui Zhang、Renbin Xiao2008-09-28Progress in Natural Science Materials International

Partner selection is a fundamental problem in the formation and success of a virtual enterprise. The partner selection problem with precedence and due date constraint is the basis of the various extensions and is studied in this paper. A nonlinear integer program model for the partner selection problem is established.…

Scheduling and Optimization AlgorithmsPolyoxometalates: Synthesis and ApplicationsCollaboration in agile enterprises

Electroless Ni–P–(nano-MoS2) composite coatings and their corrosion properties

Xianguo Hu、Wanan Cai、Yong feng Xu 等 5 位作者2008-09-28Surface Engineering

Ni–P coatings were co-deposited with MoS2 nanoparticles on medium carbon steel substrate by electroless plating. The effects of incorporation of MoS2 nanoparticles into the Ni–P coating on the morphology of the coating surface and corrosion properties were investigated. X-ray diffraction pattern and X-ray photoelectro…

Corrosion Behavior and InhibitionElectrodeposition and Electroless CoatingsSemiconductor materials and interfaces

Doped-TiO2 Photocatalysts and Synthesis Methods to Prepare TiO2 Films

Yongzhi Cui、Hejun Du、Lina Wen2008-09-28Journal of Material Science and Technology

TiO2 is a promising photocatalyst. However, the low photocatalytic efficiency calls for the modification of TiO2. Metal- and nonmetal-doping of TiO2 have been proved to be effective ways to enhance photocatalytic properties. This review provides a deep insight into the understanding of the metal- and nonmetal-doped Ti…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesAdvanced Nanomaterials in Catalysis

Improving anaerobic and aerobic degradation by ultrasonic disintegration of biomass

U. Neis、Klaus G. Nickel、Anna Lundén2008-09-28Journal of Environmental Science and Health Part A

Biological cell lysis is known to be the rate-limiting step of anaerobic biosolids degradation. Due to the slow pace by which this reaction occurs, it is necessary to equip treatment plants with large digesters or alternatively incorporate technological aids. High-power ultrasound used to disintegrate bacterial cells…

Microbial Inactivation MethodsUltrasound and Cavitation PhenomenaMagnetic and Electromagnetic Effects