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Neutral and charged gallium clusters: structures, physical properties and implications for the melting features

Sara Núñez、J. M. López、Andrés Aguado2012-01-01Nanoscale

We report the putative Global Minimum (GM) structures and electronic properties of Ga(N)(+), Ga(N) and Ga(N)(-) clusters with N = 13-37 atoms, obtained from first-principles density functional theory structural optimizations. The calculations include spin polarization and employ an exchange-correlation functional whic…

Advanced Chemical Physics StudiesZnO doping and propertiesGaN-based semiconductor devices and materials

Entomopathogenic fungus generated Nanoparticles for enhancement of efficacy in Culex quinquefasciatus and Anopheles stephensi

Namita Soni、Shiroman Prakash2012-01-01Asian Pacific Journal of Tropical Disease

To evaluate to efficacy of silver and gold generated larvicide with the help of entomopathogenic fungus Chrysosporium tropicum against the Culex quinquefasciatus and Anopheles stephensi larvae. The silver and gold nanoparticles were quantified and observed by the Micro-scan reader and X-ray diffraction technique. The…

Nanoparticles: synthesis and applicationsInsect Pest Control StrategiesEntomopathogenic Microorganisms in Pest Control

Effect of solvent quality on the polymer adsorption from bulk solution onto planar surfaces

Per Linse2012-01-01Soft Matter

Adsorption of uncharged homopolymers in good and theta solvents onto planar surfaces at various chain flexibility and polymer–surface attraction strengths was investigated by using a coarse-grained bead–spring polymer model and simulation techniques. Equilibrium properties of the interfacial systems were obtained from…

Material Dynamics and PropertiesPolymer Surface Interaction StudiesBlock Copolymer Self-Assembly

Quantitative DEMS study of ethanol oxidation: effect of surface structure and Sn surface modification

Ehab Mostafa、Abdelaziz Abdellatif、Richard Ilsley 等 5 位作者2012-01-01Physical Chemistry Chemical Physics

Using the dual thin layer flow through cell, a semi-quantitative analysis of the volatile products during the electrooxidation of adsorbed and bulk solution of 0.01 M ethanol at polycrystalline platinum, smooth, roughened and Sn modified Pt(11,1,1), Pt(311) electrodes has been done by on-line differential electrochemi…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceElectron and X-Ray Spectroscopy Techniques

Nano-graphite functionalized mesocellular carbon foam with enhanced intra-penetrating electrical percolation networks for high performance electrochemical energy storage electrode materials

Changshin Jo、Sunhyung An、Younghoon Kim 等 6 位作者2012-01-01Physical Chemistry Chemical Physics

Mesocellular carbon foam (MSU-F-C) is functionalized with hollow nanographite by a simple solution-phase method to enhance the intrapenetrating electrical percolation network. The electrical conductivity of the resulting material, denoted as MSU-F-C-G, is increased by a factor of 20.5 compared with the pristine MSU-F-…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced Battery Materials and Technologies

Encapsulation controlled single molecule magnetism in tetrathiafulvalene-capped cyanide-bridged cubes

Kiyotaka Mitsumoto、Hiroyuki Nishikawa、Graham N. Newton 等 4 位作者2012-01-01Dalton Transactions

New TTF-based (TTF = tetrathiafulvalene) ligands, L1 and L2 (L1 = α-(4'-methyl-4,5-ethylenedithiotetrathiafulvalene-5'-thio)-α'-[tris-2,2,2-(1-pyrazolyl)ethoxy]-p-xylene and L2 = α-(4'-methyl-4,5-dimethylthiotetrathiafulvalene-5'-thio)-α'-[tris-2,2,2-(1-pyrazolyl)ethoxy]-p-xylene), possessing tris-pyrazolyl coordinati…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchElectron Spin Resonance Studies

Redox and thiol–ene cross-linking of mercapto poly(ε-caprolactone) for the preparation of reversible degradable elastomeric materials

Benjamin Nottelet、Guillaume Tambutet、Youssef Bakkour 等 4 位作者2012-01-01Polymer Chemistry

A novel thiol-functionalized PCL (PCL-HDT) was synthesized following a convenient two-step procedure. Taking advantage of the pendant thiol group, degradable elastomeric materials have been prepared from PCL-HDT by redox or thiol–ene reaction. Elastomers were characterized by HRMAS NMR spectroscopy to confirm the form…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical ApplicationsPolymer composites and self-healing

Evaluation on Thermal Hazard of Ter-Butyl Hydroperoxide by Using Accelerating Rate Calorimeter

Huiping Liu、Lanyun Gu、Peng Zhu 等 5 位作者2012-01-01Procedia Engineering

Organic peroxides are a kind of very hazardous substance because they are capable of self-decomposition when being heated or exposed to the sunlight. In present paper, the thermal hazard of tert-butyl hydroperoxide (TBHP) has been investigated by using accelerating rate calorimeter (ARC). On the basis of experimental…

Energetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure

Image Guided Biodistribution of Drugs and Drug Delivery

Hong Ding、Fang Wu2012-01-01Theranostics

Image guided technique is playing an increasingly important role in the investigation of the biodistribution and pharmacokinetics of drugs or drug delivery systems. The application of these new materials and techniques with combined properties of diagnosis and therapy can benefit the development of targeted drug deliv…

Nanoparticle-Based Drug DeliveryComputational Drug Discovery Methods3D Printing in Biomedical Research

Self-fabricated dextran-coated gold nanoparticles using pyrenyl dextran as a reducible stabilizer and their application as CT imaging agents for atherosclerosis

Eun‐Kyung Lim、Eunji Jang、Jeonghun Kim 等 9 位作者2012-01-01Journal of Materials Chemistry

A facile method to produce dextran-coated gold nanoparticles (DGNPs) for atherosclerosis detection using computed tomography (CT) imaging is developed. DGNPs are prepared using only pyrenyl dextran as a reducible stabilizer chemically conjugated with hydroxyl groups of dextran and carboxyl groups of pyrenyl molecules,…

Nanoparticle-Based Drug DeliveryGold and Silver Nanoparticles Synthesis and ApplicationsPhotoacoustic and Ultrasonic Imaging

Nanocellular foaming of fluorine containing block copolymers in carbon dioxide: the role of glass transition in carbon dioxide

Cédric Dutriez、Kotaro Satoh、Masami Kamigaito 等 4 位作者2012-01-01RSC Advances

Carbon dioxide foaming in polymeric materials has been recognized as an environmentally friendly method to introduce microfoam consisting of cells of micrometre size (microcells). Our group has demonstrated that CO2-philic fluorinated block domains of block copolymers worked as nuclei of foams and further decreased th…

Phase Equilibria and ThermodynamicsCarbon dioxide utilization in catalysisPolymer Foaming and Composites

Fabrication and spectroscopic properties of Yb3+-doped silica glasses using the sol-gel method

Shaojun Liu Shaojun Liu、Haiyuan Li、Yongxing Tang 等 4 位作者2012-01-01Chinese Optics Letters

Two series of Yb 3+ -doped silica glasses (YA and YAP) are fabricated using the sol-gel method, and their spectroscopic properties are investigated. The longest fluorescence lifetime of 0.96 ms is obtained in YAP2 and YAP3 glasses. The emission cross-section (emi) and emi of Yb 3+ in the YAP1 glass are 1.00 pm 2 and 0…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

The Melting Behaviour of Oxide Nuclear Fuels: Effects of the Oxygen Potential Studied by Laser Heating

D. Manara、R. Böhler、Kostantinos Boboridis 等 10 位作者2012-01-01Procedia Chemistry

The present work highlights the importance, in nuclear fuel safety and performance, of the very high oxygen potentials of actinide oxides (ThO2, UO2, NpO2, PuO2) at temperatures close to melting (around 3000 K), i.e. a tendency to oxidize their environment and chemically react with it.Laser heating coupled with fast p…

Nuclear reactor physics and engineeringNuclear Materials and PropertiesThermodynamic and Structural Properties of Metals and Alloys

Conformity between Mechanics and Microscopic Functions of Hydrogen in Failure

Michihiko Nagumo2012-01-01ISIJ International

Conformity between macro-mechanics and microscopic functions of hydrogen in failure is reviewed in reference to some models of hydrogen embrittlement (HE), focusing on the role of plasticity. Plastic strain localization, a characteristic feature of HE, is consistent with the hydrogen-enhanced creation of vacancies dur…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsNuclear Materials and Properties

CaCO3/Chitin hybrids: recombinant acidic peptides based on a peptide extracted from the exoskeleton of a crayfish controls the structures of the hybrids

Hiromu Kumagai、Ryou Matsunaga、Tatsuya Nishimura 等 11 位作者2012-01-01Faraday Discussions

Functional peptides play an important role in the formation of biominerals. Here we focus on peptides involved in mineralization of the exoskeleton of a crayfish. New recombinant peptides are designed and synthesized on the basis of an acidic functional peptide, CAP-1, derived from the exoskeleton of a crayfish. We ha…

Paleontology and Stratigraphy of FossilsCalcium Carbonate Crystallization and InhibitionMarine Sponges and Natural Products

Tailored synthesis of various Au nanoarchitectures with branched shapes

Liang Wang、Masataka Imura、Yusuke Yamauchi2012-01-01CrystEngComm

The development of a simple and feasible method to synthesize Au nanoarchitectures with branched shapes is highly desired and technically important for the exciting anisotropic Au structures which are useful in diverse research fields. In this study, a one-step and rapid strategy is developed to selectively synthesize…

Gold and Silver Nanoparticles Synthesis and ApplicationsCopper-based nanomaterials and applicationsNanocluster Synthesis and Applications

Spontaneous liquid marble formation on packed porous beds

Catherine P. Whitby、Xun Bian、Rossen Sedev2012-01-01Soft Matter

The encapsulation of aqueous and organic solvents with particles used to form liquid marbles implies there are attractive interactions between the particles and those different liquids. This is often masked, however, by the impact of the droplet kinetic energy on marble formation. We investigated droplet wetting and e…

Pickering emulsions and particle stabilization

Halloysite clay nanotubes and platinum nanoparticles dispersed in ionic liquid applied in the development of a catecholamine biosensor

Daniela Brondani、Carla Weber Scheeren、Jaı̈rton Dupont 等 4 位作者2012-01-01The Analyst

Halloysite clay nanotubes were used as a support for the immobilization of the enzyme peroxidase from clover sprouts (Trifolium), and employed together with platinum nanoparticles in 1-butyl-3-methylimidazolium hexafluorophosphate ionic liquid (Pt-BMI·PF(6)) in the development of a new biosensor for the determination…

Electrochemical sensors and biosensorsClay minerals and soil interactionsIron oxide chemistry and applications

Organic–inorganic nanovesicles for doxorubicin storage and release

Siu Ling Leung、Zhengbao Zha、Weibing Teng 等 6 位作者2012-01-01Soft Matter

The potential of organic–inorganic liposomal cerasomes to store and release doxorubicin (DOX) is investigated. Specifically, cerasomes display sustained DOX release in serum-enriched cell culture medium but minimal drug leakage in deionized water. As revealed by a physics-based model, the medium-sensitive DOX release/…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesSupramolecular Self-Assembly in Materials

Piezoelectric glass-ceramics produced via oriented growth of Sr2TiSi2O8 fresnoite: thermal annealing of surface modified quenched glasses

Marek Patschger、Wolfgang Wisniewski、Christian Rüssel2012-01-01CrystEngComm

Glass samples with the composition 2SrO·TiO2·2.75 SiO2 were polished, subsequently covered with graphite or alumina powder and finally annealed at 970 °C for 20 h in order to induce surface crystallisation. The effect of the surface treatment on the preferred crystal orientations during growth into the bulk is analyze…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis