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GGA+U Study on the Mechanism of Photodecomposition of Water Adsorbed on Rutile TiO2(110) Surface: Free vs Trapped Hole

Yongfei Ji、Bing Wang、Yi Luo2013-12-29The Journal of Physical Chemistry C

The initial step of O 2 evolution reaction on a TiO 2 surface is a long-standing puzzle. A recent scanning tunneling microscopy experiment showed that the H 2 O molecule adsorbed on rutile TiO 2 (110) surface could decompose under ultraviolet illumination (Tan, S. J.; et al. J. Am. Chem. Soc ., 2012, 134, 9978). The u…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceElectronic and Structural Properties of Oxides

Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff

Anita K. Nivedha、Spandana Makeneni、B. Lachele Foley 等 5 位作者2013-12-29Journal of Computational Chemistry

Docking algorithms that aim to be applicable to a broad range of ligands suffer reduced accuracy because they are unable to incorporate ligand-specific conformational energies. Here, we develop a set of Carbohydrate Intrinsic (CHI) energy functions that quantify the conformational properties of oligosaccharides, based…

Protein Structure and DynamicsGlycosylation and Glycoproteins ResearchEnzyme Structure and Function

Familial Alzheimer A2 V Mutation Reduces the Intrinsic Disorder and Completely Changes the Free Energy Landscape of the Aβ1–28 Monomer

Phuong H. Nguyen、Bogdan Tarus、Philippe Derreumaux2013-12-29The Journal of Physical Chemistry B

The self-assembly of the amyloid-β (Aβ) peptide of 39-43 amino acids into senile plaques is one hallmark of Alzheimer's disease (AD) pathology. While A2 V carriers remain healthy in the heterozygous state, they suffer from early onset AD in the homozygous state. As a first toward understanding the impact of A2 V on Aβ…

Protein Structure and DynamicsAlzheimer's disease research and treatmentsSupramolecular Self-Assembly in Materials

Stable and Sensitive Silver Surface Plasmon Resonance Imaging Sensor Using Trilayered Metallic Structures

Zhiyou Wang、Zhiqiang Cheng、Vikramjeet Singh 等 8 位作者2013-12-29Analytical Chemistry

The silver surface plasmon resonance (SPR) sensor has long been explored due to its intrinsic sensitivity enhancement over the conventional single-layered gold SPR sensor. However, the silver SPR sensor has not been exploited for practical applications because of pronounced instability problems. We propose a novel gol…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesPlasmonic and Surface Plasmon Research

Fabrication of Pd–Ni–P Metallic Glass Nanoparticles and Their Application as Highly Durable Catalysts in Methanol Electro-oxidation

Ming Zhao、Katsuhiro Abe、Shin‐ichi Yamaura 等 5 位作者2013-12-29Chemistry of Materials

We report the chemical fabrication of metallic glass nanoparticles (MG-NPs). Using commercially available Pd, Ni, and P precursors, size-controlled amorphous Pd–Ni–P NPs were obtained by a one-pot solvothermal synthesis procedure. Differential scanning calorimetry identified typical MG properties of the unsupported Pd…

Quantum Dots Synthesis And PropertiesMetallic Glasses and Amorphous AlloysPhase-change materials and chalcogenides

Crystal transition behavior of odd–odd nylon 11,11 under annealing and stretching

Shaobing Liu、Peng Fu、Minying Liu 等 6 位作者2013-12-29Polymer Engineering and Science

Nylon 11,11 is a new odd–odd polyamide with multiple crystalline structures. The wide‐angle X‐ray scattering indicated that the structure of quenched sample was not amorphous but a γ‐form crystal with a relatively low crystallinity. The α‐form and the γ‐form crystal of nylon 11, 11 could be obtained by annealing the q…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesFiber-reinforced polymer composites

Facets of Lyotropic Liquid Crystals

Lyaysan R. Latypova、Wojciech T. Góźdź、P. Pierański2013-12-29Langmuir

The bicontinuous lyotropic liquid phases surrounded by the isotropic phase form monocrystals with well-developed facets. We investigate the structure and stability of the facets formed by the bicontinuous phase of Pn3̅m symmetry, at three preferred directions, which are developed on a spherical droplet of Pn3̅m phase…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsBlock Copolymer Self-Assembly

Injection molded self‐hybrid composites based on polypropylene and natural fibers

Aida Alejandra Pérez‐Fonseca、Jorge Ramón Robledo‐Ortíz、Francisco Javier Moscoso‐Sánchez 等 5 位作者2013-12-29Polymer Composites

Self‐hybrid thermoplastic composites (combination of two fiber sizes) were obtained by injection molding using pine or agave fibers with polypropylene (PP). The effect of self‐hybridization was determined through mechanical properties and water absorption for different total fiber contents between 10 and 30% wt. The r…

Polymer crystallization and propertiesNatural Fiber Reinforced CompositesPolymer Foaming and Composites

Accelerated Crystallization of Poly(lactic acid): Synergistic Effect of Poly(ethylene glycol), Dibenzylidene Sorbitol, and Long-Chain Branching

Jinxiu You、Wei Yu、Chixing Zhou2013-12-29Industrial & Engineering Chemistry Research

The crystallization of poly(lactic acid) (PLA) is usually slow and related to the content of d -lactide. A new approach is suggested in this work to accelerate the crystallization of PLA via the synergistic effect of nanofibril nucleating agent (dibenzylidene sorbitol, DBS), plasticizer (poly(ethylene glycol), PEG) an…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical ApplicationsCarbon dioxide utilization in catalysis

Characterization of acrylonitrile–butadiene–styrene (ABS) copolymer blends with foreign polymers using fracture mechanism maps

Jihun An、Chulhong Kim、Byoung‐Ho Choi 等 4 位作者2013-12-29Polymer Engineering and Science

To commercially produce consumer products using engineering polymers, it is very important to control the physical properties of the material. However, quality control of the material is not easy because of many reasons such as cost reduction, cleaning issues, the use of scraps, etc. In many cases, even a small amount…

Mechanical Behavior of CompositesPolymer crystallization and propertiesEpoxy Resin Curing Processes

Synthesis, Exfoliation, and Electronic/Protonic Conductivity of the Dion–Jacobson Phase Layer Perovskite HLa2TiTa2O10

TsingHai Wang、Camden N. Henderson、Thomas I. Draskovic 等 4 位作者2013-12-29Chemistry of Materials

Electrochemical impedance spectroscopy was used to study the transport properties of the three-layer Dion–Jacobson phase HLa 2 Ti 2 TaO 10 in the temperature range of interest (250–475 °C) for intermediate temperature fuel cells. The compound was prepared by proton exchange of RbLa 2 Ti 2 TaO 10, which in turn was mad…

Ferroelectric and Piezoelectric MaterialsPerovskite Materials and ApplicationsAdvancements in Solid Oxide Fuel Cells

In Vitro Cytotoxicity and In Vivo Effects of a Decellularized Xenogeneic Collagen Scaffold in Nasal Cartilage Repair

Alexander F. Elsaesser、Christian Bermueller、Silke Schwarz 等 6 位作者2013-12-29Tissue Engineering Part A

Tissue engineering is considered a promising future option for nasal cartilage repair. However, until now, an optimal material has not been identified for this specific purpose. Therefore, the aim of this study was to analyze a recently developed decellularized collagen matrix, which has promising material properties…

Electrospun Nanofibers in Biomedical ApplicationsPeriodontal Regeneration and TreatmentsTissue Engineering and Regenerative Medicine

Salt-Responsive Self-Assembly of Luminescent Hydrogel with Intrinsic Gelation-Enhanced Emission

Chunqiu Zhang、Chang Liu、Xiangdong Xue 等 9 位作者2013-12-29ACS Applied Materials & Interfaces

Tetraphenylethylene (TPE), an archetypal luminogen with aggregation-induced emission (AIE), was grafted to a salt-responsive peptide to yield a yet luminescent hydrogelator. After testing different parameters, we found that only in the presence of salt rather than temperature, pH, and solvent, did the monodisperse hyd…

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Data on Displacements caused by the Growth of Bainite in Steels

H. K. D. H. Bhadeshia2013-12-29arXiv

One of the important characteristics of solid-state phase transformations in steels is the choreography of atoms as they traverse the frontier between the parent and the product phases. Some transformations involve a chaotic motion of atoms consistent with long-range diffusion, and hence are closer to equilibrium than…

Materials Science

Influence of Natural Organic Matter and Surface Charge on the Toxicity and Bioaccumulation of Functionalized Ceria Nanoparticles in Caenorhabditis elegans

Blanche Collin、Emily K. Oostveen、Olga V. Tsyusko 等 4 位作者2013-12-29Environmental Science & Technology

The objective of this study was to investigate the role of the CeO2 nanoparticle (NP) surface charge and the presence of natural organic matter (NOM) in determining bioavailability and toxicity to the model soil organism Caenorhabditis elegans. We synthesized CeO2-NPs functionalized with positively charged, negatively…

Nanoparticles: synthesis and applicationsGeochemistry and Elemental AnalysisAdvanced Nanomaterials in Catalysis

ЦИТОГЕНЕТИЧЕСКИЕ ЭФФЕКТЫ РЕСВЕРАТРОЛА И КАНДЕСАРТАНА IN VIVO И IN VITRO

A. Beliayeva、I. S. Dorofeyenko、М. В. Анисович 等 7 位作者2013-12-28Health and Ecology Issues

Objectives: to analyze the cytogenetic parameters in vivo and in vitro in the administration of Resveratrol and Candesartan Cilexetil in different dosages and combinations. Material and methods. Male C57Bl/6 mice were used for the research. We investigated the molecular-biological parameters in vivo and in vitro and a…

Mesenchymal stem cell researchElectrospun Nanofibers in Biomedical ApplicationsSirtuins and Resveratrol in Medicine

Interaction Explained

Ralph R. Pawlak2013-12-28Apress eBooks

An interaction can best be defined as a violent reaction that interrupts normal conditions. Interactions become apparent when there is an intense outcome created by chemical, thermal, or physical responses to the combination of two or more variables. These keywords were added by machine and not by the authors. This pr…

Thermal and Kinetic AnalysisForensic Fingerprint Detection MethodsCancer and biochemical research

On the role of kinetic and interfacial anisotropy in the crystal growth theory

Mi-Ho Giga、Yoshikazu Giga2013-12-28Interfaces and Free Boundaries Mathematical Analysis Computation and Applications

A planar anisotropic curvature flow equation with constant driving force term is considered when the interfacial energy is crystalline. The driving force term is given so that a closed convex set grows if it is sufficiently large. If initial shape is convex, it is shown that a flat part called a facet (with admissible…

Solidification and crystal growth phenomenananoparticles nucleation surface interactions

EFFECT OF DRUG TO B-CYCLODEXTRIN RATIO AND METHOD OF COMPLEXATION IN THE DEVELOPMENT OF B-CYCLODEXTRIN INCLUSION COMPLEX OF OFLOXACIN

Mitali Panchpuri、Devendra Singh、Ajay Semalty 等 4 位作者2013-12-28INDIAN DRUGS

Ofloxacin, a second generation fluoroquinolone, shows poor aqueous solubility and dissolution profile. Thus, ofloxacin–β-cyclodextrin complexes were prepared to improve its dissolution by imparting an environment of improved hydrophilicity. Ofloxacin was complexed with β-cyclodextrin (in 1:1 and 1:2 molar ratio) by tw…

Drug Solubulity and Delivery SystemsAdvanced Drug Delivery SystemsCrystallization and Solubility Studies