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Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox

Julien Hiblot、Guillaume Gotthard、Mikael Elias 等 4 位作者2013-09-23PLoS ONE

Enzymes are proficient catalysts that enable fast rates of Michaelis-complex formation, the chemical step and products release. These different steps may require different conformational states of the active site that have distinct binding properties. Moreover, the conformational flexibility of the active site mediate…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical and Molecular Research

Interactions between Low-Density Polyethylene (LDPE) and Polypropylene (PP) during the Mild Cracking of Polyolefin Mixtures in a Closed-Batch Reactor

Xiaodong Jing、Yuehong Zhao、Hao Wen 等 4 位作者2013-09-23Energy & Fuels

Thermal decomposition behaviors of neat polypropylene (PP) and low-density polyethylene (LDPE) and LDPE/PP mixture with different ratios (30/70, 50/50, 70/30) are studied under nonisothermal conditions in closed-batch reactors. The presence of a synergistic effect is observed for mixture samples with a PP composition…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer Science and PVC

Strong magnetoelectric coupling in multiferroic Co/BaTiO3thin films

N. Jedrecy、H. J. von Bardeleben、V. Badjeck 等 7 位作者2013-09-23Physical Review B

We have found evidence for a strong magnetoelectric (ME) coupling at room temperature between polycrystalline Co layers ($5\ensuremath{-}40$ nm) and single-crystalline (001)-oriented BaTiO${}_{3}$ layers ($15\ensuremath{-}17$ nm). We took advantage of the quasi-single polarization orientation, perpendicular to the fil…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

Magnetoceramics from the Bulk Pyrolysis of Polysilazane Cross-Linked by Polyferrocenylcarbosilanes with Hyperbranched Topology

Jie Kong、Minmin Kong、Xiaofei Zhang 等 5 位作者2013-09-23ACS Applied Materials & Interfaces

In this contribution, we report a novel strategy for the synthesis of nanocrystal-containing magnetoceramics with an ultralow hysteresis loss by the pyrolysis of commercial polysilazane cross-linked with a functional metallopolymer possessing hyperbranched topology. The usage of hyperbranched polyferrocenylcarbosilane…

Advanced ceramic materials synthesisMXene and MAX Phase MaterialsSynthesis and properties of polymers

Nanomechanical resonant structures in single-crystal diamond

Michael J. Burek、Daniel Ramos、Parth Patel 等 5 位作者2013-09-23Applied Physics Letters

With its host of outstanding material properties, single-crystal diamond is an attractive material for nanomechanical systems. Here, the mechanical resonance characteristics of freestanding, single-crystal diamond nanobeams fabricated by an angled-etching methodology are reported. Resonance frequencies displayed evide…

Diamond and Carbon-based Materials ResearchForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Transparent Luminescent Hyperbranched Epoxy/Carbon Oxide Dot Nanocomposites with Outstanding Toughness and Ductility

Bibekananda De、Brigitte Voit、Niranjan Karak2013-09-23ACS Applied Materials & Interfaces

A luminescent transparent hyperbranched epoxy nanocomposite with previously unachieved outstanding toughness and elasticity has been created by incorporation of a very small amount of carbon oxide nanodots. The nanocomposites of the hyperbranched epoxy with carbon oxide dots at different dose levels (0.1, 0.5, and 1.0…

Luminescence and Fluorescent MaterialsCarbon and Quantum Dots ApplicationsPolydiacetylene-based materials and applications

Charge Storage in Polymer Acid-Doped Polyaniline-Based Layer-by-Layer Electrodes

Ju‐Won Jeon、Josh O’Neal、Lin Shao 等 4 位作者2013-09-23ACS Applied Materials & Interfaces

Polymeric electrodes that can achieve high doping levels and store charge reversibly are desired for electrochemical energy storage because they can potentially achieve high specific capacities and energies. One such candidate is the polyaniline:poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PANI:PAAMPSA) complex…

Supercapacitor Materials and FabricationAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Equilibrium Crystal Shape of Ni from First Principles

Wei‐Bing Zhang、Chuan Chen、Shun-Ying Zhang2013-09-23The Journal of Physical Chemistry C

We have determined the equilibrium crystal shape of Ni at 0 K using Wulff construction based on 36 orientation-dependent surface energies, which are calculated from first principles. The (111), (100), (110), (210), (221), (311), and (322) surfaces are found in the predicted equilibrium shape based on DFT data, whereas…

Machine Learning in Materials Sciencenanoparticles nucleation surface interactionsSurface and Thin Film Phenomena

Geometrical considerations in the control and manipulation of conductive heat flux in multilayered thermal metamaterials

Krishna P. Vemuri、Prabhakar R. Bandaru2013-09-23Applied Physics Letters

We indicate the fundamental rationale underlying the control of temperature and the manipulation of thermal flux, with reference to a multilayered composite material. We show that when the orientation of the layers in the composite is physically rotated with respect to a constant temperature gradient, there would then…

Metamaterials and Metasurfaces ApplicationsAcoustic Wave Phenomena ResearchThermal Radiation and Cooling Technologies

Nanoceria Particles As Catalytic Amplifiers for Alkaline Phosphatase Assays

Akhtar Hayat、Silvana Andreescu2013-09-23Analytical Chemistry

We propose a novel system to enhance detection sensitivity of alkaline phosphatase (ALP) in electrochemical assays by using nanoceria particles as redox active catalytic amplifiers of ALP signals. The catalytic activity of nanoceria particles attributed to their dual oxidation state Ce(4+)/Ce(3+) and high oxygen mobil…

Advanced biosensing and bioanalysis techniquesElectrochemical sensors and biosensorsAdvanced Nanomaterials in Catalysis

Stimuli-responsive functionalized mesoporous silica nanoparticles for drug release in response to various biological stimuli

Xin Chen、Xiaoyu Cheng、Alexander H. Soeriyadi 等 9 位作者2013-09-23Biomaterials Science

as a bridging ion. The AuNPs serve as removable caps that hinder the release of drug molecules inside the amino functionalized MSN mesoporous framework. The modified MSNs themselves exhibit negligible cytotoxicity to living cells, as revealed using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT)…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesDendrimers and Hyperbranched Polymers

Polydopamine Microcapsules with Different Wall Structures Prepared by a Template-Mediated Method for Enzyme Immobilization

Jiafu Shi、Yang Chen、Shaohua Zhang 等 9 位作者2013-09-23ACS Applied Materials & Interfaces

Microcapsules with diverse wall structures may exhibit different performance in specific applications. In the present study, three kinds of mussel-inspired polydopamine (PDA) microcapsules with different wall structures have been prepared by a template-mediated method. More specifically, three types of CaCO3 microsphe…

Electrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Design and Preparation of Single‐Chain Nanocarriers Mimicking Disordered Proteins for Combined Delivery of Dermal Bioactive Cargos

Ana Sanchez‐Sanchez、Somayeh Akbari、Angel J. Moreno 等 7 位作者2013-09-23Macromolecular Rapid Communications

Inspired by the multifunctionality of vitamin D-binding protein and the multiple transient-binding behavior of some intrinsically disordered proteins (IDPs), a polymeric platform is designed, prepared, and characterized for combined delivery of dermal protective and anticancer bioactive cargos on the basis of artifici…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesSupramolecular Self-Assembly in Materials

Gadolinium‐Conjugated Gold Nanoshells for Multimodal Diagnostic Imaging and Photothermal Cancer Therapy

Andrew J. Coughlin、Jeyarama S. Ananta、Nanfu Deng 等 6 位作者2013-09-23Small

Multimodal imaging offers the potential to improve diagnosis and enhance the specificity of photothermal cancer therapy. Toward this goal, gadolinium-conjugated gold nanoshells are engineered and it is demonstrated that they enhance contrast for magnetic resonance imaging, X-ray, optical coherence tomography, reflecta…

Gold and Silver Nanoparticles Synthesis and ApplicationsExtracellular vesicles in diseaseNanoplatforms for cancer theranostics

Strong oxygen pressure dependence of ferroelectricity in BaTiO3/SrRuO3/SrTiO3 epitaxial heterostructures

Aiping Chen、Fauzia Khatkhatay、Wenrui Zhang 等 6 位作者2013-09-23Journal of Applied Physics

The oxygen pressure effect on the structural and ferroelectric properties have been studied in epitaxial BaTiO3 (BTO)/SrRuO3/SrTiO3 (001) heterostructures grown by pulsed laser deposition. It is found that oxygen pressure is a sensitive parameter, which can influence the characteristics of oxide films in many aspects.…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsElectronic and Structural Properties of Oxides

Development of an Optimization-Based Atomistic-to-Continuum Coupling Method

Derek Olson、Pavel Bochev、Mitchell Luskin 等 4 位作者2013-09-23arXiv

Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the efficiency of a continuum model. In this note we extend the optimization-based AtC, fo…

Materials Sciencecs.NAmath.NA

Interfacial magnetism in manganite superlattices

Kalpataru Pradhan、A. P. Kampf2013-09-23Physical Review B

We use a two-orbital double-exchange model including superexchange interactions, Jahn-Teller lattice distortions, and long-range Coulomb interactions to investigate the origin of magnetically disordered interfaces between ferromagnetic metallic (FM) and antiferromagnetic insulating (AFI) manganites in FM/AFI superlatt…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsAdvanced Condensed Matter Physics

Bulk Dirac points in distorted spinels

Julia A. Steinberg、Steve M. Young、Saad Zaheer 等 6 位作者2013-09-23arXiv

We report on a Dirac-like Fermi surface in three-dimensional bulk materials in a distorted spinel structure on the basis of density functional theory (DFT) as well as tight-binding theory. The four examples we provide in this paper are BiZnSiO4, BiCaSiO4, BiMgSiO4, and BiAlInO4. A necessary characteristic of these str…

Materials Science

Competitive Adsorption of a Two-Component Gas on a Deformable Adsorbent

A. S. Usenko2013-09-23arXiv

We investigate the competitive adsorption of a two-component gas on the surface of an adsorbent whose adsorption properties vary in adsorption due to the adsorbent deformation. The essential difference of adsorption isotherms for a deformable adsorbent both from the classical Langmuir adsorption isotherms of a two-com…

Materials Science