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PCASSO: A fast and efficient Cα‐based method for accurately assigning protein secondary structure elements

Sean M. Law、Aaron T. Frank、Charles L. Brooks2014-07-04Journal of Computational Chemistry

Proteins are often characterized in terms of their primary, secondary, tertiary, and quaternary structure. Algorithms such as define secondary structure of proteins (DSSP) can automatically assign protein secondary structure based on the backbone hydrogen-bonding pattern. However, the assignment of secondary structure…

Protein Structure and DynamicsRNA and protein synthesis mechanismsEnzyme Structure and Function

Biosilica‐loaded poly(ϵ‐caprolactone) nanofibers mats provide a morphogenetically active surface scaffold for the growth and mineralization of the osteoclast‐related SaOS‐2 cells

Wernér E.G. Müller、Emad Tolba、Heinz C. Schröder 等 6 位作者2014-07-04Biotechnology Journal

Bioprinting/3D cell printing procedures for the preparation of scaffolds/implants have the potential to revolutionize regenerative medicine. Besides biocompatibility and biodegradability, the hardness of the scaffold material is of critical importance to allow sufficient mechanical protection and, to the same extent,…

Bone Tissue Engineering Materialsbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Elastomer-Infiltrated Vertically Aligned Carbon Nanotube Film-Based Wavy-Configured Stretchable Conductors

Ung-Hui Shin、Dong-Wook Jeong、Soohyung Kim 等 5 位作者2014-07-04ACS Applied Materials & Interfaces

Elastomer-infiltrated vertically aligned carbon nanotube (VACNT) forests are good candidates for use as stretchable conductors that can retain the electrical properties under relatively large stretching. The electrical performance can be further enhanced in terms of high stretchability and small change in the electric…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Vibration modeling of carbon-nanotube-based biosensors incorporating thermal and nonlocal effects

K.F. Wang、Baolin Wang2014-07-04Journal of Vibration and Control

The vibration behavior of a bridged single walled carbon nanotube with a bio-mass adsorbed at various positions subjected to temperature change is investigated. The frequency equation of the sensor is derived analytically based on nonlocal Euler–Bernoulli beam theory. The relationship between the vibration frequency,…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Probing Opto-Mechanical Stresses within Azobenzene-Containing Photosensitive Polymer Films by a Thin Metal Film Placed Above

Nataraja Sekhar Yadavalli、Denis Korolkov、Jean‐François Moulin 等 5 位作者2014-07-04ACS Applied Materials & Interfaces

Azo-modified photosensitive polymers offer the interesting possibility to reshape bulk polymers and thin films by UV-irradiation while being in the solid glassy state. The polymer undergoes considerable mass transport under irradiation with a light interference pattern resulting in the formation of surface relief grat…

Advanced Fiber Optic SensorsPhotonic and Optical DevicesOptical Coatings and Gratings

Crystal structure of active site mutant of antileukemic l ‐asparaginase reveals conserved zinc‐binding site

Dominika Borek、Maciej Kozak、Jimin Pei 等 4 位作者2014-07-04FEBS Journal

The periplasmic enzyme l-asparaginase type II from Escherichia coli (EcAII) converts l-asparagine to l-aspartate and ammonia. EcAII is an important drug in the treatment of childhood acute lymphoblastic leukemia, the most common malignancy in children. Leukemic blast cells lack the ability to synthesize l-asparagine a…

Acute Lymphoblastic Leukemia researchEnzyme Structure and FunctionCancer Research and Treatments

Platinum nanoparticles supported on Ca(Mg)-zeolites for efficient room-temperature alcohol oxidation under aqueous conditions

Yejiang Hong、Xiaoqing Yan、Xiaofeng Liao 等 7 位作者2014-07-04Chemical Communications

Platinum nanoparticles supported on Ca(Mg)-ZSM-5 is an efficient, highly selective and stable catalyst for room-temperature oxidation of alcohols in water. Based on in situ EPR measurement and the radical trapping technique, we propose that the generation of ˙OH radicals by cleavage of the O-O bond in the H2O2 interme…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisOxidative Organic Chemistry Reactions

Energy Management and Control of Electric Vehicles, Using Hybrid Power Source in Regenerative Braking Operation

Bo Long、Shin Lim、Zhi Bai 等 5 位作者2014-07-04Energies

Today’s battery powered electric vehicles still face many issues: (1) Ways of improving the regenerative braking energy; (2) how to maximally extend the driving-range of electric vehicles (EVs) and prolong the service life of batteries; (3) how to satisfy the energy requirements of the EVs both in steady and dynamic s…

Supercapacitor Materials and FabricationAdvanced Battery Technologies ResearchElectric and Hybrid Vehicle Technologies

The Finite Elements for Design of Frame of Thin-Walled Beams

Vladimir Lalin、Vladimir Rybakov、Alexander Sergey2014-07-04Applied Mechanics and Materials

Recent years there have been observed a wide application of a metalware in industrial and civil engineering. Special place in the building industry is belonged to light steel thin-walled constructions having a lot of technological advantages. In the article the first development cycle of a numerical method creating is…

Composite Structure Analysis and OptimizationStructural Load-Bearing AnalysisStructural mechanics and materials

Solar H 2 generation via ethanol photoreforming on ε-Fe 2 O 3 nanorod arrays activated by Ag and Au nanoparticles

Giorgio Carraro、Alberto Gasparotto、Chiara Maccato 等 11 位作者2014-07-04RSC Advances

Earth-abundant, non toxic and cheap Fe2O3 can be used as photocatalyst for sustainable hydrogen production from bio-ethanol aqueous solutions, under sunlight irradiation and without the application of any external electrical bias. To this aim, supported materials are not only technologically more appealing than powder…

Advanced Photocatalysis TechniquesIron oxide chemistry and applicationsCopper-based nanomaterials and applications

Synthesis and self-assembly of thermosensitive double-hydrophilic poly(N-vinylcaprolactam)-b-poly(N-vinyl-2-pyrrolidone) diblock copolymers

Xing Liang、Veronika Kozlovskaya、Christopher P. Cox 等 6 位作者2014-07-04Journal of Polymer Science Part A Polymer Chemistry

We report on novel diblock copolymers of poly(N-vinylcaprolactam) (PVCL) and poly(N-vinyl-2-pyrrolidone) (PVPON) (PVCL-b-PVPON) with well-defined block lengths synthesized by the MADIX/reversible addition-fragmentation chain transfer (RAFT) process. We show that the lower critical solution temperatures (LCST) of the b…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesBlock Copolymer Self-Assembly

An Approach for Solvent Selection in Extractive Distillation Systems Including Safety Considerations

Nancy Medina-Herrera、Ignacio E. Grossmann、M. Sam Mannan 等 4 位作者2014-07-04Industrial & Engineering Chemistry Research

The selection of solvents in the chemical industry is typically based on performance and economic considerations. Other relevant aspects, such as the safety implications of a given solvent, are generally left for consideration after the design of the process has been completed. In this work, an approach for solvent se…

Advanced Control Systems OptimizationProcess Optimization and IntegrationThermal and Kinetic Analysis

Toward Lithium Ion Batteries with Enhanced Thermal Conductivity

Bonil Koo、Pradyumna Goli、Anirudha V. Sumant 等 8 位作者2014-07-04ACS Nano

As batteries become more powerful and utilized in diverse applications, thermal management becomes one of the central problems in their application. We report the results on thermal properties of a set of different Li-ion battery electrodes enhanced with multiwalled carbon nanotubes. Our measurements reveal that the h…

Advancements in Battery MaterialsAdvanced Battery Materials and TechnologiesThermal properties of materials

Designing photoluminescent molecular probes for singlet oxygen, hydroxyl radical, and iron–oxygen species

Youngmin You、Wonwoo Nam2014-07-04Chemical Science

Metabolism of molecular oxygen in the human body inevitably produces reactive oxygen species (ROS). Among the family of ROS, those exhibiting very high reactivities, including ˙OH, ˙OOH, ONOO−, HOCl, HOBr, and 1O2, remain relatively underexplored. While emerging evidence suggests that these ROS are critically involved…

Metal complexes synthesis and propertiesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

CH 3 NH 3 PbI (3−x) (BF 4 ) x : molecular ion substituted hybrid perovskite

Satyawan Nagane、Umesh Bansode、Onkar S. Game 等 5 位作者2014-07-04Chemical Communications

A molecular ion (BF4(-)) substituted hybrid perovskite CH3NH3PbI(3-x)(BF4)x is synthesized. The substituted perovskite shows significant enhancement in electrical conductivity at low frequencies and improved photoresponse under AM1.5 illumination as compared to the perovskite (CH3NH3PbI3).

Perovskite Materials and ApplicationsOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography

The emerging multiple metal nanostructures for enhancing the light trapping of thin film organic photovoltaic cells

Wallace C. H. Choy2014-07-04Chemical Communications

Recently, various metal nanostructures have been introduced into organic solar cells (OSCs) for performance enhancement. Here, we review the recent progress in OSCs incorporated with multiple metal nanostructures including various metal nanopatterns and metal nanomaterials. Multiple physical effects arise from these i…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsNanowire Synthesis and Applications

Self-assembled LiFePO 4 nanowires with high rate capability for Li-ion batteries

Lele Peng、Yu Zhao、Yu Ding 等 4 位作者2014-07-04Chemical Communications

Controlling the dimensions in the nanometer scale of olivine-type LiFePO4 has been regarded as one of the most effective strategies to improve its electrochemical performance for Li-ion batteries. In this communication, we demonstrate a novel LiFePO4 nanoarchitecture, which is composed of self-assembled single-crystal…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced Battery Materials and Technologies

One-step preparation of mirror-like NiS nanosheets on ITO for the efficient counter electrode of dye-sensitized solar cells

Xun Sun、Jie Dou、Fengyan Xie 等 5 位作者2014-07-04Chemical Communications

NiS nanosheets on ITO substrates were synthesized with in situ growth via a one-step hydrothermal route, and exhibited an efficiency of 7.08% which was comparable to the solar cell based on the Pt electrode (7.01%) under the similar conditions.

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties

Ellipsoidal drop impact on a solid surface for rebound suppression

Sungchan Yun、Geunbae Lim2014-07-04Journal of Fluid Mechanics

Abstract Non-axisymmetric drops can significantly alter impact dynamics via rebound suppression when compared to axisymmetric drops. In this study, we focus on ellipsoidal drop impact on a non-wetting surface and investigate the effects of the geometric aspect ratio ( $\def \xmlpi #1{}\def \mathsfbi #1{\boldsymbol {\m…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferPlant Surface Properties and Treatments

Facile preparation of black Nb 4+ self-doped K 4 Nb 6 O 17 microspheres with high solar absorption and enhanced photocatalytic activity

Chao Zhou、Yufei Zhao、Lu Shang 等 7 位作者2014-07-04Chemical Communications

Black Nb(4+) self-doped K4Nb6O17 microspheres were prepared for the first time through a facile UV light photoreduction method. By the introduction of Nb(4+), the defective K4Nb6O17 can harvest the full spectrum of visible light as well as near-infrared light. The black K4Nb6O17 microspheres showed improved visible-li…

Advanced Photocatalysis TechniquesPerovskite Materials and ApplicationsCovalent Organic Framework Applications