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Metal−Polyhydride Molecules Are Compact Inside a Fullerene Cage

Laura Gagliardi2005-09-30Journal of Chemical Theory and Computation

Quantum chemical calculations show that metal-hydride molecules are more compact when they are placed inside a fullerene cage than when they are isolated molecules. The metal-hydrogen bond distance in ZrH4 becomes 0.15 Å shorter when it is placed inside a C60 cage. Metal-polyhydride molecules with a large number of H…

Hydrogen Storage and MaterialsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials Research

Nanostructure and optical properties of fluoride films for high-quality DUV/VUV optical components

Sven Schröder、Hein Uhlig、Angela Duparré 等 4 位作者2005-09-30Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

The persistent utilization of optical lithography at the DUV and VUV excimer laser wavelengths leads to extraordinary demands on the optical components involved (high throughput, low scattering, high mechanical stability, ...). Fluorides are the main or even the only candidates for film materials in these spectral reg…

Advanced Measurement and Metrology TechniquesOptical Coatings and GratingsSurface Roughness and Optical Measurements

Dielectric Normal and Segmental Modes in Undiluted Poly(butylene oxide)

Minoru Yamane、Yüji Hirose、Keiichiro Adachi2005-09-30Macromolecules

Dielectric measurements were carried out on undiluted poly(butylene oxide) (PBO) with various molecular weights. The dielectric normal mode relaxation due to fluctuation of the end-to-end vector and the segmental relaxation due to local motions were observed. The relaxation time τ n for the normal mode and τ s for the…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties

Modeling of Diesel Oxidation Catalyst

Yasushi Tanaka、Takashi Hihara、Makoto Nagata 等 5 位作者2005-09-30Industrial & Engineering Chemistry Research

Optimization of hydrocarbon (HC) oxidation over a diesel oxidation catalyst (DOC) requires consideration of (i) HC gas diffusion into the catalyst layer, (ii) HC gas adsorption and desorption from catalyst sites, and (iii) kinetics of the oxidation reaction. We have already reported a brief modeling study that emphasi…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisCatalysis and Oxidation Reactions

Bismuth Spheres Grown in Self-Nested Cavities in a Silicon Wafer

Hong Liu、Zhong Lin Wang2005-09-30Journal of the American Chemical Society

We have developed a one-step, hydrofluoric acid-free hydrothermal etching method that not only produces bismuth nano/micrometer-sized spheres but also prepares porous silicon with vertical holes. By controlling the heating temperature and time, nanoscale vertical-channeled porous silicon can be received. Our result in…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsAnodic Oxide Films and Nanostructures

Synthesis of a new type of core–shell particle from hyperbranched polyglycerol

Decheng Wan、Zhongyu Li、Junlian Huang2005-09-30Journal of Polymer Science Part A Polymer Chemistry

Abstract Based on hyperbranched polyglycerol (PG), a route to prepare particles with a novel topology was developed. The hydroxyls of PG were converted to trithiocarbonates, and the latter were used to mediate the surface graft polymerization of N,N ‐dimethylaminoethyl acrylate. The poly( N,N ‐dimethylaminoethyl acryl…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Local order and thermal conductivity in yttria-stabilized zirconia. II. Numerical and experimental investigations of thermal conductivity

Mathieu Fèvre、A. Finel、R. Caudron 等 4 位作者2005-09-30Physical Review B

The thermal conductivity of yttria-stabilized zirconias has been determined numerically, by applying a nonequilibrium molecular dynamic calculation. Comparing random configurations and Monte Carlo configurations in which chemical correlations are taken into account, we have established that the short range order devel…

Advancements in Solid Oxide Fuel CellsAdvanced Thermoelectric Materials and DevicesThermal properties of materials

Half-metallicity proven using fully spin-polarized tunnelling

Martin Bowen、A. Barthélémy、Manuel Bibès 等 8 位作者2005-09-30Journal of Physics Condensed Matter

A half-metal has been defined as a material with propagating electron states at the Fermi energy only for one of the spin directions. But is it fully half-metallic, that is without electrons with opposite spin at that energy? We have studied the spin-conserving process of tunnelling between La 0.7 Sr 0.3 MnO 3 half-me…

Quantum and electron transport phenomenaMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Carbon nanotube oscillator operated by thermal expansion of encapsulated gases

Jeong Won Kang、Ki Oh Song、Oh Keun Kwon 等 4 位作者2005-09-30Nanotechnology

We investigated a carbon nanotube (CNT) oscillator controlled by thermal gas expansion using classical molecular dynamics simulations. When the temperature rapidly increased, the force on the CNT oscillator induced by the thermal gas expansion rapidly increased and pushed out the CNT oscillator. As the CNT oscillator…

Carbon Nanotubes in CompositesMechanical and Optical ResonatorsNanopore and Nanochannel Transport Studies

Spectroscopic Investigations of Metalloporphyrin−Oligopeptide Systems: Evidence for Peptide Aggregation

Mohamed Aoudia、Michael A. J. Rodgers2005-09-30Langmuir

Anionic pentapeptides consisting of a string of four glutamic acid residues terminated by either tyrosine (Glu4Tyr) or tryptophan (Glu4Trp) were synthesized, and their aggregation properties in buffered (pH = 7.0) aqueous solutions were investigated using two different approaches. In the first approach, the effects of…

Molecular Sensors and Ion DetectionMass Spectrometry Techniques and ApplicationsPorphyrin and Phthalocyanine Chemistry

Preparation of a chemically amplified photosensitive polyimide based on norbornene‐end‐capped poly(amic acid ethoxymethylester)

Myung‐Sup Jung、Sang Kyun Lee、Jinkyu Hyeon‐Lee 等 5 位作者2005-09-30Journal of Polymer Science Part A Polymer Chemistry

Abstract A positive‐working chemically amplified photosensitive polyimide (PSPI) developable with basic aqueous solutions was obtained from poly(amic acid ethoxymethylester) (PAAE) as a polyimide precursor and diphenyliodonium 5‐hydroxynaphthalene‐1‐sulfonate (DINS) as a photoacid generator. The norbornene‐end‐capped…

Epoxy Resin Curing ProcessesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Nuclear Magnetic Resonance Solution Structure of theEscherichia coliDNA Polymerase III θ Subunit

Geoffrey A. Mueller、Thomas W. Kirby、Eugene F. DeRose 等 6 位作者2005-09-30Journal of Bacteriology

The catalytic core of Escherichia coli DNA polymerase III holoenzyme contains three subunits: alpha, epsilon, and theta. The alpha subunit contains the polymerase, and the epsilon subunit contains the exonucleolytic proofreading function. The small (8-kDa) theta subunit binds only to epsilon. Its function is not well…

DNA Repair MechanismsDNA and Nucleic Acid ChemistryEnzyme Structure and Function

Disodium rhodizonate: a powder diffraction study

Robert E. Dinnebier、Hanne Nuss、Martin Jansen2005-09-30Acta Crystallographica Section E Structure Reports Online

The crystal structure of the title compound, disodium 1,2,3,4-tetra­oxo-5-cyclo­hexene-5,6-diolate, 2Na+·C6O62−, is built up of alternating layers of hexa­gonally packed Na+ cations and rhodizonate dianions. The rhodizon­ate dianion has a slightly twisted conformation.

Crystallography and molecular interactionsCrystal Structures and PropertiesX-ray Diffraction in Crystallography

Qualidade das chapas de partículas aglomeradas fabricadas com resíduos do processamento mecânico da madeira de <i>Pinus elliottii</i> (Engelm.).

Lourdes Patricia Elias Dacosta、Clóvis Roberto Haselein、Élio José Santini 等 5 位作者2005-09-30Ciência Florestal

Este trabalho teve como objetivo avaliar as propriedades mecânicas de chapas de madeira aglomerada, confeccionados com resíduos de Pinus elliottii Engelm., resultantes do processamento mecânico da madeira. As chapas foram produzidas com dois tipos de resíduos, cavaco e maravalha, utilizados puros ou misturados. O ades…

Natural Fiber Reinforced CompositesAgricultural and Food Sciences

A new recycling method for expanded polystyrene

Changjoo Shin2005-09-30Packaging Technology and Science

Abstract A new recycling method was investigated in this work, in which polystyrene (PS) sub‐µm fibres were electrospun from recycled expanded polystyrene (EPS). The experimental results in this work show that fibres with diameters of around 500 nm were produced by the electrospinning method. The fibres were produced…

Advanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical ApplicationsElectrohydrodynamics and Fluid Dynamics

Exclusive-OR gate using a two-input single-electron transistor in single-wall carbon nanotubes

Daiju Tsuya、Masaki Suzuki、Y. Aoyagi 等 4 位作者2005-09-30Applied Physics Letters

We demonstrated a two-input exclusive-OR (XOR) gate using a single-electron transistor with two similar side gates in single-wall carbon nanotubes. Coulomb peaks were adjusted to have a half phase difference by a high input voltage to one of the two gates. The output current was in a low level when the same voltages,…

Carbon Nanotubes in CompositesQuantum and electron transport phenomenaMechanical and Optical Resonators

Hydrogen plasma effects on ultralow-k porous SiCOH dielectrics

A. Grill、Victoria Sternhagen、D. Neumayer 等 4 位作者2005-09-30Journal of Applied Physics

This study investigated the interactions of hydrogen plasmas with ultralow-k porous SiCOH (pSiCOH) films and their dependency on the values of the original dielectric constant, porogen used for the preparation of films, and substrate temperature during the plasma treatment. pSiCOH films of similar dielectric constants…

Advanced ceramic materials synthesisSemiconductor materials and devicesCopper Interconnects and Reliability

Substantial progress in optical monitoring by intermittent measurement technique

Alfons Zoeller、Michael Boos、Rainer Goetzelmann 等 5 位作者2005-09-30Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

The production capabilities for optical multilayer coatings were improved significantly in the last decade. So called "shift free" coatings have become a standard in the coating production. Direct optical monitoring plays a key role to improve the layer thickness accuracy and takes advantage of error compensation effe…

Photonic and Optical DevicesOptical Coatings and GratingsSurface Roughness and Optical Measurements

Regulation by Iron: RNA Rules the Rust

Robert J. Kadner2005-09-30Journal of Bacteriology

Obtaining and maintaining proper levels of iron are major challenges for most organisms (reviews may be found in references [2][1], [9][2], and [10][3]). The redox features that make iron such a versatile and valuable cofactor can also lead to formation of extremely toxic and highly reactive oxygen

Corrosion Behavior and InhibitionRNA and protein synthesis mechanismsHydrogen embrittlement and corrosion behaviors in metals

Comparison of contrast agents with high molarity and with weak protein binding in cerebral perfusion imaging at 3 T

Oliver Thilmann、Elna‐Marie Larsson、Isabella M. Björkman‐Burtscher 等 5 位作者2005-09-30Journal of Magnetic Resonance Imaging

PURPOSE: To examine and compare properties of high-molarity contrast agent gadobutrol (Gadovist) and weakly protein-binding agent gadobenate-dimeglumine (MultiHance in dynamic susceptibility contrast (DSC) perfusion imaging at 3 T. MATERIALS AND METHODS: Sixteen healthy volunteers underwent three separate examinations…

Advanced MRI Techniques and ApplicationsLanthanide and Transition Metal ComplexesMRI in cancer diagnosis