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Effect of Protein Environment within Cytochrome P450cam Evaluated Using a Polarizable-Embedding QM/MM Method

Nandun M. Thellamurege、Hajime Hirao2014-02-02The Journal of Physical Chemistry B

Metalloenzymes accommodate cofactors and substrates in their active sites, thereby exerting powerful catalytic effects. Understanding the key elements of the mechanism via which such binding is accomplished using a number of atoms in a protein is a fundamental challenge. To address this issue computationally, here we…

Protein Structure and DynamicsEnzyme Structure and FunctionMetal-Catalyzed Oxygenation Mechanisms

Aqueous-Phase Synthesis of Copper Nanoparticles Using Organic Nanoparticles: Application of Assembly in Detection of Cr 3+

Ajnesh Singh、Simanpreet Kaur、Amanpreet Kaur 等 7 位作者2014-02-02ACS Sustainable Chemistry & Engineering

A series of novel heterotripodal receptors were synthesized with potential cation binding sites. Their crystal structure revealed the presence of extensive intramolecular as well as intermolecular hydrogen bonding, which allowed them to process into organic nanoparticles (ONPs) in aqueous medium. The ONPs thus synthes…

Metal-Organic Frameworks: Synthesis and ApplicationsMolecular Sensors and Ion DetectionNanocluster Synthesis and Applications

Disorder and variable-range hopping conductivity in Cu2ZnSnS4 thin films prepared by flash evaporation and post-thermal treatment

Maxim Guc、R. Caballero、K.G. Lisunov 等 7 位作者2014-02-02Journal of Alloys and Compounds

Resistivity, ρ(T), of as-grown and annealed Cu2ZnSnS4 films, obtained by flash evaporation, is investigated between T ∼ 10 and 300 K. A correlation between the transport properties and the growth conditions of the thin films is also explored. The behavior of ρ(T) in the as-grown films exhibits a close proximity to the…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Dendrimer-grafted graphene oxide nanosheets as novel support for trypsin immobilization to achieve fast on-plate digestion of proteins

Bo Jiang、Kaiguang Yang、Lihua Zhang 等 6 位作者2014-02-02Talanta

In this study, dendrimer grafted graphene oxide nanosheets (dGO) were prepared by covalent reaction. The successful synthesis of dGO was confirmed by Fourier-transform infrared spectra, Raman spectra, Thermo gravimetric analysis and Zeta potential. Taking advantages of large surface area, excellent biocompatibility an…

Advanced biosensing and bioanalysis techniquesElectrospun Nanofibers in Biomedical ApplicationsGraphene and Nanomaterials Applications

Molecular Adhesion between Cartilage Extracellular Matrix Macromolecules

Fredrick Rojas、Michael A. Batista、Carl Alexander Lindburg 等 7 位作者2014-02-02Biomacromolecules

In this study, we investigated the molecular adhesion between the major constituents of cartilage extracellular matrix, namely, the highly negatively charged proteoglycan aggrecan and the type II/IX/XI fibrillar collagen network, in simulated physiological conditions. Colloidal force spectroscopy was applied to measur…

Osteoarthritis Treatment and MechanismsCell Adhesion Molecules ResearchCollagen: Extraction and Characterization

Corrosion Problems in Petroleum Industry and their solution

Sarit Prabha、R. Joseph Rathish、R. Dorothy 等 7 位作者2014-02-02European Chemical Bulletin

Corrosion costs the oil industry billions of dollars a year, a fact that makes the role of the corrosion engineer an increasingly important one. Corrosion affects every aspect of exploration and production, from offshore rigs to casing, and reviews the role of corrosion agents such as drilling and production fluids. M…

Corrosion Behavior and InhibitionOil and Gas Production TechniquesOffshore Engineering and Technologies

Epoxy Monomers Derived from Tung Oil Fatty Acids and Its Regulable Thermosets Cured in Two Synergistic Ways

Kun Huang、Zengshe Liu、Jinwen Zhang 等 7 位作者2014-02-02Biomacromolecules

A novel biobased epoxy monomer with conjugated double bonds, glycidyl ester of eleostearic acid (GEEA) was synthesized from tung oil fatty acids and characterized by (1)H and (13)C NMR. Differential scanning calorimeter analysis (DSC) and Fourier transform infrared spectroscopy (FT-IR) were utilized to investigate the…

Polymer composites and self-healingEpoxy Resin Curing ProcessesPhotopolymerization techniques and applications

Frame‐Guided Assembly of Vesicles with Programmed Geometry and Dimensions

Yuanchen Dong、Yawei Sun、Liying Wang 等 10 位作者2014-02-02Angewandte Chemie International Edition

In molecular self-assembly molecules form organized structures or patterns. The control of the self-assembly process is an important and challenging topic. Inspired by the cytoskeletal-membrane protein lipid bilayer system that determines the shape of eukaryotic cells, we developed a frame-guided assembly process as a…

Advanced biosensing and bioanalysis techniquesLipid Membrane Structure and BehaviorSupramolecular Self-Assembly in Materials

Biogenic synthesis of iron oxide nanoparticles for 2-arylbenzimidazole fabrication

Brajesh Kumar、Kumari Smita、Luis Cumbal 等 4 位作者2014-02-02Journal of Saudi Chemical Society

A simple, efficient, and ecofriendly method has been developed for the exclusive synthesis of iron oxide nanoparticles using an aqueous extract of Passiflora tripartita var. mollissima fruit. Transmission electron microscopy (TEM) and Dynamic Light Scattering (DLS) analysis show that the average particle size of spher…

Nanoparticle-Based Drug DeliveryInnovative Microfluidic and Catalytic Techniques InnovationNanomaterials for catalytic reactions

Raman spectroscopy in the analysis of food and pharmaceutical nanomaterials

Ying-Sing Li、Jeffrey S. Church2014-02-02Journal of Food and Drug Analysis

Raman scattering is an inelastic phenomenon. Although its cross section is very small, recent advances in electronics, lasers, optics, and nanotechnology have made Raman spectroscopy suitable in many areas of application. The present article reviews the applications of Raman spectroscopy in food and drug analysis and…

Gold and Silver Nanoparticles Synthesis and ApplicationsSpectroscopy and Chemometric AnalysesSpectroscopy Techniques in Biomedical and Chemical Research

Electron spin resonance spectroscopy for the study of nanomaterial-mediated generation of reactive oxygen species

Weiwei He、Yitong Liu、Wayne G. Wamer 等 4 位作者2014-02-02Journal of Food and Drug Analysis

Many of the biological applications and effects of nanomaterials are attributed to their ability to facilitate the generation of reactive oxygen species (ROS). Electron spin resonance (ESR) spectroscopy is a direct and reliable method to identify and quantify free radicals in both chemical and biological environments.…

Nanoparticles: synthesis and applicationsElectrochemical Analysis and ApplicationsFree Radicals and Antioxidants

The role of MgBr2 to enhance the ionic conductivity of PVA/PEDOT:PSS polymer composite

E. Sheha、Mona M. Nasr、M.K. El-Mansy2014-02-02Journal of Advanced Research

A solid polymer electrolyte system based on poly(vinyl alcohol) (PVA) and poly(3,4-Etylenedioxythiophene):poly(styrenesulfonate) ( PEDOT: PSS) complexed with magnesium bromide (MgBr2) salt was prepared using solution cast technique. The ionic conductivity is observed to increase with increasing MgBr2 concentration. Th…

Advanced Battery Materials and TechnologiesAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Four new Pinnularia Ehrenberg (Bacillariophyta, Pinnulariaceae) species from Amazonian black water (Tupé Lake, Amazonas State, Brazil)

Andreia Cavalcante Pereira、Lezilda Carvalho Torgan、Sérgio Melo2014-02-02Phytotaxa

Tupé Lake belongs to one of the Sustainable Development Reserves in the Negro River Basin, Amazonas State, Brazil. It connects to the Negro river by a channel, so its level varies according to the floods of the river. The water has low pH (< 5), low conductivity (< 7.60 µS.cm-1) and high temperature (> 28.5ºC). During…

Aquatic Ecosystems and Phytoplankton DynamicsDiatoms and Algae ResearchFish biology, ecology, and behavior

Electrochemical Impedance Spectroscopy and Potentiodynamic Polarization Analysis on Anticorrosive Activity of Thiophene-2-Carbaldehyde Derivative in Acid Medium

Nimmy Kuriakose、Joby Thomas Kakkassery、Vinod P. Raphael 等 4 位作者2014-02-02Indian Journal of Materials Science

The corrosion inhibition efficiency of thiophene-2-carbaldehyde tryptophan (T2CTRY) on mild steel (MS) in 1 M HCl solution has been investigated and compared using weight loss measurements, electrochemical impedance spectroscopy, and potentiodynamic polarization analysis. The Schiff base exhibited very good corrosion…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability

Resonant Raman scattering of graphite intercalation compounds KC8, KC24, and KC36

Yu Wang、Pascal Puech、Iann C. Gerber 等 4 位作者2014-02-02Journal of Raman Spectroscopy

Graphite intercalation compounds, due to charge transfer between layers of graphite and intercalants, have a strongly shifted Fermi level. Potassium is known to give its electron leading to a large charge transfer fc close to for stage 1 (KC8) and for stage 2 (KC24). The question is more subtle in stage 3 (KC36) for w…

Advancements in Battery MaterialsGraphene research and applicationsGraphite, nuclear technology, radiation studies

Switchable Dielectric Phase Transition Induced by a Twisting Transformation in Diglycine Methanesulfonate

Pan Zhou、Zhihua Sun、Shuquan Zhang 等 7 位作者2014-02-02Chemistry - An Asian Journal

A new glycine-based reversible phase transition compound diglycine methanesulfonate (1) has been successfully synthesized. Differential scanning calorimetry (DSC) measurements of 1 showed a pair of broad peaks around 134 K (T(c)=phase transition temperature) with a slight thermal hysteresis during the heating/cooling…

Liquid Crystal Research AdvancementsNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography

Reversible Binding of Solvent to Naked Pb II Centers in Unusual Homoleptic Alkynyl‐Based Pt 2 Pb 2 Clusters

Jesús R. Berenguer、Julio Fernández‐Cestau、Belén Gil 等 5 位作者2014-02-02Chemistry - A European Journal

We report a series of luminescent sandwich-type clusters [Pt2 Pb2 (C≡CR)8] (R=Tol, 1; C6 H4 OMe-3, 2; C6 H4 OMe-4, 3) with a dynamic Pt2 Pb2 metallic core, which is key to their intriguing stimuli-responsive photophysical properties. The solvent-free solids 1-3 display an orange emission ascribed to charge transfer fr…

Perovskite Materials and ApplicationsLuminescence and Fluorescent MaterialsNanocluster Synthesis and Applications

Critical Evaluation of Adsorption–Desorption Hysteresis of Heavy Metal Ions from Carbon Nanotubes: Influence of Wall Number and Surface Functionalization

Jie Li、Changlun Chen、Shouwei Zhang 等 6 位作者2014-02-02Chemistry - An Asian Journal

Single-, double-, and multi-walled carbon nanotubes (SWCNTs, DWCNTs, and MWCNTs), and two oxidized MWCNTs with different oxygen contents (2.51 wt % and 3.5 wt %) were used to study the effect of the wall number and surface functionalization of CNTs on their adsorption capacity and adsorption-desorption hysteresis for…

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Short One-Pot Chemo-Enzymatic Synthesis of l -Lysine and l -Alanine Diblock Co-Oligopeptides

Jenny Fagerland、Anna Finne‐Wistrand、Keiji Numata2014-02-02Biomacromolecules

Amphiphilic diblock co-oligopeptides are interesting and functional macromolecular materials for biomedical applications because of their self-assembling properties. Here, we developed a synthesis method for diblock co-oligopeptides by using chemo-enzymatic polymerization, which was a relatively short (30 min) and eff…

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsSilk-based biomaterials and applications

Cell microenvironment stimuli-responsive controlled-release delivery systems based on mesoporous silica nanoparticles

Chunling Zhu、Xianwei Wang、Zhenzhen Lin 等 5 位作者2014-02-02Journal of Food and Drug Analysis

To develop novel tumor cell microenvironment stimuli-responsive smart controlled-release delivery systems is one of the current common interests of materials science and clinical medicine. Meanwhile, mesoporous silica nanoparticles as a promising drug carrier have become the new area of interest in the field of biomed…

Nanoparticle-Based Drug DeliveryNanoplatforms for cancer theranosticsAdvanced Nanomaterials in Catalysis