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Zebra: a web server for bioinformatic analysis of diverse protein families

Dmitry Suplatov、Evgeny Kirilin、Vakil Takhaveev 等 4 位作者2013-09-13Journal of Biomolecular Structure and Dynamics

During evolution of proteins from a common ancestor, one functional property can be preserved while others can vary leading to functional diversity. A systematic study of the corresponding adaptive mutations provides a key to one of the most challenging problems of modern structural biology - understanding the impact…

RNA and protein synthesis mechanismsBioinformatics and Genomic NetworksEnzyme Structure and Function

Thermal Decomposition Kinetics of Woods with an Emphasis on Torrefaction

Dhruv Tapasvi、Roger Khalil、Gábor Várhegyi 等 6 位作者2013-09-13Energy & Fuels

The pyrolysis kinetics of Norwegian spruce and birch wood was studied to obtain information on the kinetics of torrefaction. Thermogravimetry (TGA) was employed with nine different heating programs, including linear, stepwise, modulated and constant reaction rate (CRR) experiments. The 18 experiments on the 2 feedstoc…

Thermochemical Biomass Conversion ProcessesLignin and Wood ChemistryFlame retardant materials and properties

Fine Tuning the Disassembly Time of Thermoresponsive Polymer Nanoparticles.

Nguyen Tien Tran、Zhongfan Jia、Nghia P. Truong 等 5 位作者2013-09-13Biomacromolecules

Timed-released disassembly of nanoparticles without a remote trigger or environmental cues is demonstrated in this work. The reversible addition-fragmentation chain transfer (RAFT) polymerization allowed the fine-tuning of the chemical composition in the diblock copolymers, in which the first block consisted of a hydr…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Chemical Inhomogeneity, Short‐Range Order, and Magnetism in the LiNiO2‐NiO Solid Solution

Phillip T. Barton、Y. Daniel Premchand、Philip A. Chater 等 5 位作者2013-09-13Chemistry - A European Journal

NiO:Li is an early exemplar for which hole-doping of a correlated insulator gives rise to rich and varied magnetic behavior. It is also an important system from the viewpoint of p-type transparent conducting oxides, and is representative of a large class of materials that have been used in lithium ion batteries, since…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of FimH

Goedele Roos、A. Wellens、Mohamed Touaibia 等 8 位作者2013-09-13ACS Medicinal Chemistry Letters

Antagonists of the FimH adhesin, a protein almost universally present at the extremity of type-1 fimbriae expressed by Escherichia coli, have been abundantly in the spotlight as alternative treatments of urinary tract infections. The antagonists function as bacterial antiadhesives through highly specific α-d-mannose b…

Protein Structure and DynamicsEscherichia coli research studiesEnzyme Structure and Function

A Complete Guide on the Influence of Metal Clusters in the Diels–Alder Regioselectivity of I h ‐C 80 Endohedral Metallofullerenes

Marc Garcia‐Borràs、Sílvia Osuna、Josep M. Luis 等 5 位作者2013-09-13Chemistry - A European Journal

The chemical functionalization of endohedral metallofullerenes (EMFs) has aroused considerable interest due to the possibility of synthesizing new species with potential applications in materials science and medicine. Experimental and theoretical studies on the reactivity of endohedral metallofullerenes are scarce. To…

Advanced Chemical Physics StudiesGraphene research and applicationsFullerene Chemistry and Applications

Communication: Two measures of isochronal superposition

Lisa Anita Roed、Ditte Gundermann、Jeppe C. Dyre 等 4 位作者2013-09-13The Journal of Chemical Physics

A liquid obeys isochronal superposition if its dynamics is invariant along the isochrones in the thermodynamic phase diagram (the curves of constant relaxation time). This paper introduces two quantitative measures of isochronal superposition. The measures are used to test the following six liquids for isochronal supe…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesThermodynamic properties of mixtures

Density Functional Theory Assessment of Molecular Structures and Energies of Neutral and Anionic Aln (n = 2–10) Clusters

Selvarengan Paranthaman、Kiryong Hong、Joonghan Kim 等 5 位作者2013-09-13The Journal of Physical Chemistry A

We report the results of a benchmarking study on hybrid, hybrid-meta, long-range-corrected, meta-generalized gradient approximation (meta-GGA), and GGA density functional theory (DFT) methods for aluminum (Al) clusters. A range of DFT functionals, such as B3LYP, B1B95, PBE0, mPW1PW91, M06, M06-2X, ωB97X, ωB97XD, TPSSh…

Advanced Chemical Physics StudiesBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials

Influence of long-range interactions on charge ordering phenomena on a square lattice

Louk Rademaker、Yohanes Pramudya、Jan Zaanen 等 4 位作者2013-09-13Physical Review E

Usually complex charge ordering phenomena arise due to competing interactions. We have studied how such ordered patterns emerge from the frustration of a long-ranged interaction on a lattice. Using the lattice gas model on a square lattice with fixed particle density, we have identified several interesting phases, suc…

Physics of Superconductivity and MagnetismMaterial Dynamics and PropertiesTheoretical and Computational Physics

Atomic and electronic structure of an alloyed topological insulator, Bi1.5Sb0.5Te1.7Se1.3

Wonhee Ko、Insu Jeon、Hyo Won Kim 等 9 位作者2013-09-13Scientific Reports

Bi2-xSbxTe3-ySey has been argued to exhibit both topological surface states and insulating bulk states, but has not yet been studied with local probes on the atomic scale. Here we report on the atomic and electronic structures of Bi1.5Sb0.5Te1.7Se1.3 studied using scanning tunnelling microscopy (STM) and spectroscopy…

Graphene research and applications2D Materials and ApplicationsTopological Materials and Phenomena

Multistep Thickening of Nafion Thin Films in Water

Yudai Ogata、Daisuke Kawaguchi、Norifumi L. Yamada 等 4 位作者2013-09-13ACS Macro Letters

Water sorption kinetics in thin Nafion films prepared on silver and silicon oxide substrates was examined by surface plasmon resonance and neutron reflectivity measurements. It was found that the films thickened in three regimes. The asymptotic swelling ratios in regimes I, II, and III were 1.05, 1.26, and 1.41, respe…

Fuel Cells and Related MaterialsThermal properties of materialsAnalytical Chemistry and Sensors

Layer-by-Layer Polymer Coating on Discrete Particles of Cubic Lyotropic Liquid Crystalline Dispersions (Cubosomes)

Chantelle Driever、Xavier Mulet、Lynne J. Waddington 等 7 位作者2013-09-13Langmuir

Cubic phase lyotropic liquid crystalline colloidal dispersions (cubosomes) were surface-modified with seven polyelectrolyte layers using a layer-by-layer (LbL) approach. The first layer consisted of a copolymer synthesized from methacrylic acid and oleoyl methacrylate for enhanced incorporation within the bilayer of t…

Lipid Membrane Structure and BehaviorSurfactants and Colloidal SystemsPolymer Surface Interaction Studies

Ultrafast intersystem-crossing in platinum containing π-conjugated polymers with tunable spin-orbit coupling

C.-X. Sheng、S. Singh、Alessio Gambetta 等 7 位作者2013-09-13Scientific Reports

The development of efficient organic light-emitting diodes (OLED) and organic photovoltaic cells requires control over the dynamics of spin sensitive excitations. Embedding heavy metal atoms in π-conjugated polymer chains enhances the spin-orbit coupling (SOC), and thus facilitates intersystem crossing (ISC) from the…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

Push–Pull Acylo-Phosphine Oxides for Two-Photon-Induced Polymerization

Rashid Nazir、Paulius Danilevičius、David Gray 等 5 位作者2013-09-13Macromolecules

The two-step method for the synthesis of acyl–phosphine oxides from aromatic aldehydes was optimized giving the products in 52–97% overall yield. Linear and nonlinear optical properties of series of acyl–phosphine oxides possessing substituents with different electron-donating ability were investigated. Two-photon abs…

Photochromic and Fluorescence ChemistryNonlinear Optical Materials StudiesPhotopolymerization techniques and applications

Vitellogenin from the Silkworm, Bombyx mori: An Effective Anti-Bacterial Agent

Nitin K. Singh、Britto Cathrin Pakkianathan、Manish Kumar 等 7 位作者2013-09-13PLoS ONE

Silkworm, Bombyx mori, vitellogenin (Vg) was isolated from perivisceral fat body of day 3 of pupa. Both Vg subunits were co-purified as verified by mass spectrometry and immunoblot. Purified Vg responded to specific tests for major posttranslational modifications on native gels indicating its nature as lipo-glyco-phos…

Neurobiology and Insect Physiology ResearchAntimicrobial Peptides and ActivitiesSilk-based biomaterials and applications

Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes

Maheswararao Karanam、Angshuman Roy Choudhury2013-09-13Crystal Growth & Design

The azobenzenes, known for their various importance in the industry, have been chosen as model compounds to understand the role of weak interactions involving the C–X (X = F, Cl, and Br) bond using single-crystal X-ray diffraction technique, especially in the absence of other stronger intermolecular forces such as hyd…

Crystallography and molecular interactionsPhotochromic and Fluorescence ChemistryOrganic Chemistry Cycloaddition Reactions

Solid state production of polygalacturonase and xylanase by Trichoderma species using cantaloupe and watermelon rinds

Saleh A. Mohamed、Abdulrahman L. Al‐Malki、Jalaluddin A. Khan 等 5 位作者2013-09-13The Journal of Microbiology

Different solid state fermentation (SSF) sources were tested such as cantaloupe and watermelon rinds, orange and banana peels, for the production of polygalacturonase (PG) and xylanase (Xyl) by Trichoderma harzianum and Trichoderma virens. The maximum production of both PG and Xyl were obtained by T. harzianum and T.…

Biofuel production and bioconversionAdvanced Cellulose Research StudiesPolysaccharides and Plant Cell Walls

System Impacts of Temperature-Dependent Transmission Line Models

Valentina Cecchi、Matthew Knudson、Karen Miu2013-09-13IEEE Transactions on Power Delivery

This paper discusses system-level impacts of temperature-dependent transmission line models based on given ambient temperature profiles. In order to capture nonuniformity of line parameters caused by ambient temperature gradients, a line model characterized by multiple nonuniform segments is used. An automated tool ha…

High voltage insulation and dielectric phenomenaLightning and Electromagnetic PhenomenaThermal Analysis in Power Transmission

Nanometric particle size and phase controlled synthesis and characterization of γ-Fe2O3 or (α + γ)-Fe2O3 by a modified sol-gel method

Marcela Fernandes Silva、L.A.S. de Oliveira、Mariani A. Ciciliati 等 13 位作者2013-09-13Journal of Applied Physics

Fe2O3 nanoparticles with sizes ranging from 15 to 53 nm were synthesized by a modified sol-gel method. Maghemite particles as well as particles with admixture of maghemite and hematite were obtained and characterized by XRD, FTIR, UV-Vis photoacoustic and Mössbauer spectroscopy, TEM, and magnetic measurements. The siz…

Nanoparticle-Based Drug DeliveryMagnetic Properties and Synthesis of FerritesIron oxide chemistry and applications

Mechanics of Catalyst Motion during Metal Assisted Chemical Etching of Silicon

Chang Quan Lai、Cheng He、W. K. Choi 等 4 位作者2013-09-13The Journal of Physical Chemistry C

Metal assisted chemical etching (MACE) of Si has been used to fabricate both simple and complex Si nanostructures, through the relatively straightforward process of noble metal deposition and patterning followed by immersion in a suitable etching solution. Under appropriate conditions, etching is catalyzed by the meta…

Advancements in Semiconductor Devices and Circuit DesignSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications