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Investigation of mechanical strength of 2D nanoscale structures using a molecular dynamics based computational intelligence approach

Akhil Garg、V. Vijayaraghavan、C.H. Wong 等 7 位作者2014-09-22International Journal of Modern Physics B

A molecular dynamics (MD) based computational intelligence (CI) approach is proposed to investigate the Young modulus of two graphene sheets: Armchair and Zigzag. In this approach, the effect of aspect ratio, the temperature, the number of atomic planes and the vacancy defects on the Young modulus of two graphene shee…

Graphene research and applications2D Materials and ApplicationsNanopore and Nanochannel Transport Studies

Influence of graphene coating on the adsorption and tribology of Xe on Au(1 1 1) substrate

Yanning Zhang、V. Bortolani、Giampaolo Mistura2014-09-22Journal of Physics Condensed Matter

The adsorption and tribological properties of graphene have received increasing attention for the further development of graphene-based coatings in applications. In this work, we performed first principles calculations with the inclusion of the nonlocal van der Waals correction to study the effect of graphene coating…

Graphene research and applicationsDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research

Lanthanide-Based Polymers with Charged Ligand Backbones: Triple-Stranded Chain Structures and their DNA Cleavage Studies

Ming Chen、Xiao‐Yan Tang、Mingzhen Chen 等 5 位作者2014-09-22Australian Journal of Chemistry

Four rare-earth metal complexes, [Ln(Ccbp)3(H2O)3]n (Ln = La (1), Ce (2), Pr (3) and Nd (4)) are synthesised from the ligand H2CcbpBr (H2CcbpBr = 4-carboxy-1-(4-carboxybenzyl)pyridinium bromide) and the respective lanthanide metal ions. Complexes 1–4 are isostructural in that every three Ccbp– ligands juxtapose two Ln…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Distributed feedback lasing from electrically tunable dye-doped polymer–liquid crystal transmission gratings

Oksana Sakhno、Yuri Gritsai、Joachim Stumpe2014-09-22Laser Physics Letters

In the present work we report low-threshold distributed feedback (DFB) lasing from electrically tunable holographic polymer–liquid crystal transmission gratings of POLIPHEM type doped with pyrromethene 567. Due to their uniform droplet-free micro-morphology, the POLIPHEM gratings possess high diffraction efficiency an…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsPhotonic Crystals and Applications

High three-way catalytic activity of rhodium particles on a Y-stabilized La-containing ZrO 2 support: the effect of Y on the enhanced reducibility of rhodium and self-regeneration

Hisaya Kawabata、Yuki Koda、Hirosuke Sumida 等 6 位作者2014-09-22Catalysis Science & Technology

A novel, highly active three-way catalyst, rhodium supported on Y- and La-added zirconia (Rh/Zr–Y–La–O), was found in this study.

Catalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionNanomaterials for catalytic reactions

Magnetic and Electronic Properties of Three New Hetero-Bimetallic Coordination Frameworks [Ru2(O2CR)4][Au(CN)2] (R = Benzoic Acid, Furan-2-carboxylate, or Thiophen-2-carboxylate)

Michael J. Murphy、Tony D. Keene、Jason R. Price∥ 等 5 位作者2014-09-22Australian Journal of Chemistry

The crystal structures and magnetic and electronic properties of three new hetero-bimetallic coordination frameworks, [Ru2(O2CR)4][Au(CN)2] (R = phenyl (1(Ph)), 2-furan (1(Furan)), and 2-thiophene (1(Thio)), have been characterised. Through variation of the functionalised carboxylate group, both the one-dimensional ch…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

Evidence of guest encapsulation within G8 and G10 dendrimers using NMR techniques

Naimin Shao、Tianjiao Dai、Yan Liu 等 5 位作者2014-09-22Soft Matter

Encapsulation of guest molecules within the interior cavities of dendrimers is promising, but high generation dendrimers show limited encapsulation capacity due to their dense surface shell. Here, for the first time, we prove that high generation polyamidoamine dendrimers, such as generation 8 and generation 10, are a…

RNA Interference and Gene DeliveryLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Organogelation by 4-(N-Tetradecanoyl)aminohydroxybutyric Acids: Effect of Hydrogen-Bonding Group in the Amphiphile Head

Amrita Pal、Joykrishna Dey2014-09-22The Journal of Physical Chemistry B

The major driving force for organogelation is known to be hydrogen bonding for gelators containing functional groups capable of forming hydrogen bond(s). In order to examine this, we have investigated the gelation behavior of two 4-(N-tetradecanoyl)aminohydroxybutanoic acid amphiphiles in a series of organic solvents…

Lipid Membrane Structure and BehaviorGlycosylation and Glycoproteins ResearchSupramolecular Self-Assembly in Materials

Through-Bond Energy Transfer Cassettes: Pyrene-Bisindolylmaleimide Dyads with Large Pseudo-Stokes Shifts

Xiaochuan Li、Young-Α Son2014-09-22Molecular Crystals and Liquid Crystals

An energy transfer cassette was reported with energy donor (pyrene) and energy acceptor (bisindolylmaleimide) incorporated together. The pyrene and bisindolylmaleimide units are connected through carbon-nitrogen single covalent bond. The intramolecular repulsion prevents the coplanarization of pyrene and bisindolylmal…

Molecular Sensors and Ion DetectionOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

DNA Targeting by Cationic Porphyrin–Ruthenium(II) Conjugates

Caterina Musetti、Cinzia Spagnul、Giuliana Mion 等 6 位作者2014-09-22ChemPlusChem

Abstract Porphyrins and metalloporphyrins are investigated extensively as potential anticancer drugs. They work as DNA binding agents as well as photosensitizers in photodynamic therapy. Conjugation of the macrocycle with organometallic complexes is a powerful tool to implement the water solubility of the adducts and…

Metal complexes synthesis and propertiesDNA and Nucleic Acid ChemistryPorphyrin and Phthalocyanine Chemistry

Correlated inter-grain switching in polycrystalline ferroelectric thin films

Yangsen Jing、Sarah Leach、R. Edwin Garcı́a 等 4 位作者2014-09-22Journal of Applied Physics

Ferroelectric domain switching within individual nanoscale grains of a 100 nm thick polycrystalline PbZr0.2Ti0.8O3 thin film has been shown to depend on the relative crystallographic orientation of the adjacent grains. Using Piezoresponse Force Microscopy, the significance of local microstructure on the domain switchi…

Ferroelectric and Piezoelectric MaterialsUltrasonics and Acoustic Wave PropagationAcoustic Wave Resonator Technologies

Lignocellulosic Fibers and Nanocellulose as Reinforcing Filler in Thermoplastic Composites

Nadir Ayrılmış、Alireza Ashori2014-09-22Eurasian Journal of Forest Science

Natural fibers have received considerable attention as a substitute for synthetic fiber reinforcements in thermoplastics. As replacements for conventional synthetic fibers like aramid and glass fibers, natural fibers are increasingly used for reinforcement in thermoplastics due to their low density, good thermal insul…

Natural Fiber Reinforced CompositesAdvanced Cellulose Research Studiesbiodegradable polymer synthesis and properties

Effects of Two Phosphonium-Type Ionic Liquids on the Rheological and Thermomechanical Properties of Emulsion Poly(vinyl chloride)-Based Formulations Plasticized with DINP and CITROFOL

Sofia Marceneiro、Qingyun Hu、Ana M.A. Dias 等 8 位作者2014-09-22Industrial & Engineering Chemistry Research

Industrial poly(vinyl chloride) (PVC) plastisols are often formulated using phthalate plasticizers due to their cost-effectiveness and high compatibility with PVC. However, there is a current need to replace these additives by plasticizers that (i) present reduced migration/leaching and volatilization profiles, (ii) c…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesPolymer Science and PVC

In‐Situ Electrostatic Self‐Assembly of Conjugated Polyelectrolytes in a Film

Wang‐Eun Lee、Young‐Jae Jin、Beomsu Shin‐Il Kim 等 10 位作者2014-09-22Advanced Materials Interfaces

Localized self-assembly of conjugated polyelectrolytes (CPEs) in a film is realized by simply contacting the film to appropriate surfactant solutions. This in situ self-assembly allows simultaneous optical and structural reforming on the selected areas and highly resolved patterning of the CPE film.

Organic Electronics and PhotovoltaicsConducting polymers and applicationsPolymer Surface Interaction Studies

Thermally conductive cyanate ester nanocomposites filled with graphene nanosheets and multiwalled carbon nanotubes

Chunbao Zhao、Suichun Xu、Yufang Qin 等 7 位作者2014-09-22Polymers for Advanced Technologies

In this work, dodecylamine-modified graphene nanosheets (DA-GNSs) and γ-aminopropyl-triethoxysilane-treated multiwalled carbon nanotubes (f-MWCNTs) are employed to prepare cyanate ester (CE) thermally conductive composites. By adding 5 wt% DA-GNSs or f-MWCNTs to the CE resin, the thermal conductivities of the composit…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Application of Coating Chitosan Film-forming Solution Combined β-CD-Citral Inclusion Complex on Beef Fillet

Haijun Chen、JIAWEI SHU、Peng Li 等 6 位作者2014-09-22Journal of Food and Nutrition Research

This paper reports the effect of combined solution with different antibacterial substance on the total volatile basic nitrogen (TVB-N), total bacterial count (TBC), the sensory properties, pH, the weight loss rate of beef fillets stored at 4±1C. Main components of the solutions were as follows: (A1) Aseptic water, (A…

Animal Nutrition and PhysiologyMeat and Animal Product QualityNanocomposite Films for Food Packaging

Magnetic field tuned superconductor-to-insulator transition at theLaAlO3/SrTiO3interface

Manan Mehta、Dmitriy A. Dikin、Chung Wung Bark 等 7 位作者2014-09-22Physical Review B

We present a study of the magnetic field tuned superconductor-to-insulator transition (SIT) in the electron gas that forms at the ${\mathrm{LaAlO}}_{3}$/${\mathrm{SrTiO}}_{3}$ interface. We find that the magnetic field induces a transition into a weakly insulating state, as is observed for the electrostatically tuned…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Nonlinear coupled equations for electrochemical cells as developed by the general equation for nonequilibrium reversible-irreversible coupling

Dick Bedeaux、Signe Kjelstrup、Hans Christian Öttinger2014-09-22The Journal of Chemical Physics

We show how the Butler-Volmer and Nernst equations, as well as Peltier effects, are contained in the general equation for nonequilibrium reversible and irreversible coupling, GENERIC, with a unique definition of the overpotential. Linear flux-force relations are used to describe the transport in the homogeneous parts…

Advancements in Solid Oxide Fuel CellsNonlinear Dynamics and Pattern FormationAdvanced Thermodynamics and Statistical Mechanics

The Impact of Plasma‐modified Films with Sulfur Dioxide, Sodium Oxide on Food Pathogenic Microorganisms

Elżbieta Maćkiw、Łukasz Mąka、H. Ścieżyńska 等 6 位作者2014-09-22Packaging Technology and Science

Abstract In this study, plasma modification was carried out in barrier discharge under atmospheric pressure. Sulfur dioxide and/or sodium oxide was used as the coating precursor. The results show that the films treated with a mixture of argon and sulfur dioxide inhibited microbial growth considerably better than those…

Gas Sensing Nanomaterials and SensorsNanocomposite Films for Food PackagingAntimicrobial agents and applications

Effect of extrusion reprocessing on the mechanical, thermal, rheological and morphological properties of nylon 6/talc nanocomposites

Pravin Kadam、S. T. Mhaske2014-09-22Journal of Thermoplastic Composite Materials

In this study, the preparation of nylon 6/talc nanocomposites was studied by melt blending in a co-rotating twin-screw extruder having length/diameter ratio of 32:1 at a screw rotation speed of 100 r min −1 . Concentration of nanotalc was varied from 1 phr to 5 phr in nylon 6. The composite samples were subjected to a…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties