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Carbazole end‐capped pyrene starburst with enhanced electrochemical stability and device performance

Feng Liu、Jianhua Zou、Qiyuan He 等 9 位作者2010-10-05Journal of Polymer Science Part A Polymer Chemistry

Abstract Carbazole end‐capped starburst molecule based on pyrene core “4CzFP” was synthesized and characterized. The starburst material shows good film‐forming ability and bright blue fluorescence. In cyclic voltammetry test, 4CzFP shows a high highest occupied molecular orbital energy level of −5.26 eV, indicating it…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchConducting polymers and applications

Simultaneous high-pressure and high-temperature volume measurements of ice VII and its thermal equation of state

Emiko Sugimura、Tetsuya Komabayashi、Kei Hirose 等 6 位作者2010-10-05Physical Review B

We conducted simultaneous high-pressure $(P)$ and high-temperature $(T)$ unit-cell volume $(V)$ measurements of ${\text{H}}_{2}\text{O}$ ice VII in an externally heated diamond anvil cell using in situ synchrotron x-ray diffraction technique with an angle-dispersive system. Isothermal unit-cell volume of ice VII was c…

High-pressure geophysics and materialsMaterial Dynamics and PropertiesChemical Thermodynamics and Molecular Structure

Reversible addition‐fragmentation chain transfer polymerization of a typical hydrophobic monomer of styrene within microreactor of shell‐corona hollow microspheres suspending in water

Minchao Zhang、Wangqing Zhang2010-10-05Journal of Polymer Science Part A Polymer Chemistry

Abstract Reversible addition‐fragmentation chain transfer (RAFT) polymerization of a typical hydrophobic monomer of styrene within microreactor of shell‐corona hollow microspheres of poly(styrene‐co‐methacrylic acid) suspending in water is studied. The shell‐corona hollow microspheres contain a hydrophilic corona of p…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesInnovative Microfluidic and Catalytic Techniques Innovation

New hydrogels from interpenetrated physical gels of agarose and chemical gels of polyacrylamide: Effect of relative concentration and crosslinking degree on the viscoelastic and thermal properties

Emiliano Fernández de Pinedo y Fernández、Rebeca Hernández、M. Teresa Cuberes 等 5 位作者2010-10-05Journal of Polymer Science Part B Polymer Physics

Abstract In this article, we report on the viscoelastic and thermal properties of agarose–polyacrylamide (PAAm) interpenetrating polymer hydrogels (IPHs) and semi‐IPHs as a function of agarose concentration and PAAm crosslinking degree. The results demonstrated that the agarose is able to gel in the presence of crossl…

Hydrogels: synthesis, properties, applicationsPolymer Nanocomposites and PropertiesElasticity and Material Modeling

Effect of Temperature on the Self-Assembly of the Escherichia coli ClpA Molecular Chaperone

P. Keith Veronese、Aaron L. Lucius2010-10-05Biochemistry

Protein quality control pathways rely upon ATP-dependent proteases, such as Escherichia coli ClpAP, to perform maintenance roles in the cytoplasm of the cell. ATP-dependent proteases remove misfolded and partially synthesized proteins. This action is particularly important in situations where an unregulated accumulati…

Protein Structure and DynamicsBacterial Genetics and BiotechnologyEnzyme Structure and Function

Combined in Silico and Experimental Approach for Drug Design: The Binding Mode of Peptidic and Non‐Peptidic Inhibitors to Hsp90 N‐Terminal Domain

Simona Tomaselli、Massimiliano Meli、Janet Plescia 等 7 位作者2010-10-05Chemical Biology & Drug Design

Heat shock protein 90 (Hsp90) is a prime target for antitumor therapies. The information obtained by molecular dynamics (MD) simulations is combined with NMR data to provide a cross-validated atomic resolution model of the complementary interactions of heat shock protein 90 with a peptidic (shepherdin) and a non-pepti…

Protein Structure and DynamicsHeat shock proteins researchEnzyme Structure and Function

Effect of preparation conditions for poly(ethylene glycol)/cyclodextrin polyrotaxane on modes of end‐capping reactions and decomposition of the yielded polyrotaxane

Jun Araki2010-10-05Journal of Polymer Science Part A Polymer Chemistry

PEG/CD polyrotaxane was prepared under seven conditions with different temperature and presence/absence of different types of end-capping molecules (adamantanamine or diphenylethylamine). The polyrotaxane was synthesized even without the addition of end-capping molecules, via undesirable esterification between termina…

Advanced Polymer Synthesis and CharacterizationSupramolecular Chemistry and ComplexesSilicone and Siloxane Chemistry

Epitaxial Directional Growth of Tin Oxide (101) Nanowires on Titania (101) Substrate

Wonsik Kim、Dai-Hong Kim、Kyoung Jin Choi 等 5 位作者2010-10-05Crystal Growth & Design

Highly aligned single crystal SnO 2 (101) nanowires were epitaxially grown on TiO 2 (101) substrates by thermal evaporation via Au-catalyzed vapor−liquid−solid (VLS) growth. The orientation relationship and interface structure between the nanowires and the substrate were determined by X-ray pole figure and high resolu…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsElectronic and Structural Properties of Oxides

Noncovalent Binding between Fullerenes and Protonated Porphyrins in the Gas Phase

Sunghan Jung、Jongcheol Seo、Seung Koo Shin2010-10-05The Journal of Physical Chemistry A

Noncovalent interactions between protonated porphyrin and fullerenes (C₆₀ and C₇₀) were studied with five different meso-substituted porphyrins in the gas phase. The protonated porphyrin-fullerene complexes were generated by electrospray ionization of the porphyrin-fullerene mixture in 3:1 dichloromethane/methanol con…

Advanced Chemical Physics StudiesCarbon Nanotubes in CompositesFullerene Chemistry and Applications

Finding a Needle in the Haystack: Computational Modeling of Mg2+ Binding in the Active Site of Protein Farnesyltransferase

Yue Yang、Dhruva K. Chakravorty、Kenneth M. Merz2010-10-05Biochemistry

Studies aimed at elucidating the unknown Mg2+ binding site in protein farnesyltransferase (FTase) are reported. FTase catalyzes the transfer of a farnesyl group to a conserved cysteine residue (Cys1p) on a target protein, an important step for proteins in the signal transduction pathways (e.g., Ras). Mg2+ ions acceler…

Protein Kinase Regulation and GTPase SignalingCellular transport and secretionEnzyme Structure and Function

Reliable protein structure refinement using a physical energy function

Matthew S. Lin、Teresa Head‐Gordon2010-10-05Journal of Computational Chemistry

In the past decade, significant progress has been made in protein structure prediction. However, refining models to a level of resolution that is comparable with experimental results and can be used in studies like enzymatic activity still remains a major challenge. We have previously demonstrated that our modular pro…

Protein Structure and DynamicsMass Spectrometry Techniques and ApplicationsEnzyme Structure and Function

Defect redistribution in postirradiation rapid-thermal-annealed InN

Floris Reurings、Christian Rauch、Filip Tuomisto 等 7 位作者2010-10-05Physical Review B

We have applied positron annihilation to study point defects in 2 MeV ${^{4}\text{H}\text{e}}^{+}$-irradiated and subsequently rapid-thermal-annealed (RTA) InN grown by molecular-beam epitaxy. The irradiation fluences ranged from $5\ifmmode\times\else\texttimes\fi{}{10}^{14}$ to $2\ifmmode\times\else\texttimes\fi{}{10…

GaN-based semiconductor devices and materialsSemiconductor materials and devicesGa2O3 and related materials

Shell-anchor-core structures for enhanced stability and catalytic oxygen reduction activity

Gustavo E. Ramírez‐Caballero、Pussana Hirunsit、Perla B. Balbuena2010-10-05The Journal of Chemical Physics

Density functional theory is used to evaluate activity and stability properties of shell-anchor-core structures. The structures consist of a Pt surface monolayer and a composite core having an anchor bilayer where C atoms in the interstitial sites lock 3d metals in their locations, thus avoiding their surface segregat…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceSemiconductor materials and devices

Green Progression for Synthesis of Regioselective β-Amino Alcohols and Chemoselective Alkylated Indoles

Thirupathi Boningari、Rapelli Srinivas、Avvari N. Prasad 等 5 位作者2010-10-05Organic Process Research & Development

Solid acid catalysts based on zirconia materials were investigated for the first time as catalysts for regioselective organic synthesis under environmentally benign and mild conditions. The novel TiO 2 −ZrO 2 mixed oxide catalyst led to two distinct products by the formation of an N−C bond (β-amino alcohols) and a C−C…

Mesoporous Materials and CatalysisChemical Synthesis and ReactionsOxidative Organic Chemistry Reactions

Modifying the Crystal Habit of Zeolite L by Addition of an Organic Space Filler

Rhea Brent、Alan J. W. Lobo、Dewi W. Lewis 等 4 位作者2010-10-05The Journal of Physical Chemistry C

The crown ether 21-crown-7 was found to be effective as a crystal habit modifier of zeolite L. The function of the template was to facilitate the bridging of cancrinite columns on the {101̅0} face and hence increase the crystal diameter while hindering growth in the long axis of the crystal. The rational selection of…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisChemical Synthesis and Characterization

A room-temperature chemical route to homogeneous core–shell Cu 2 O structures and their application in biosensors

Baoyou Geng、Jun Liu、Yanyan Zhao 等 4 位作者2010-10-05CrystEngComm

Homogeneous core–shell structured cuprous oxide (Cu2O) is fabricated through a facile reduction reaction at room temperature (20–25 °C). Ostwald ripening processes are proposed to explain the growth mechanism of the homogeneous Cu2O core–shell structure. The electrochemical impedance spectrum (EIS), cyclic voltammetry…

Electrochemical sensors and biosensorsElectrochemical Analysis and ApplicationsCopper-based nanomaterials and applications

Basic primitives for molecular diagram sketching

Alex M. Clark2010-10-05Journal of Cheminformatics

A collection of primitive operations for molecular diagram sketching has been developed. These primitives compose a concise set of operations which can be used to construct publication-quality 2 D coordinates for molecular structures using a bare minimum of input bandwidth. The input requirements for each primitive co…

Advanced Polymer Synthesis and CharacterizationChemical Synthesis and AnalysisDiatoms and Algae Research

Synthesis and characterization of fluorine‐containing PAA‐b‐PTPFCBPMA amphiphilic block copolymer

Yongjun Li、Sen Zhang、Guigen Li 等 6 位作者2010-10-05Journal of Polymer Science Part A Polymer Chemistry

Abstract A series of perfluorocyclobutyl (PFCB) aryl ether‐based amphiphilic diblock copolymers containing hydrophilic poly(acrylic acid) (PAA) and fluorophilic poly(p‐(2‐(p‐tolyloxy)perfluorocyclobutoxy)phenyl methacrylate) segments were synthesized via successive atom transfer radical polymerization (ATRP). 2‐MBP‐in…

Surface Modification and SuperhydrophobicityAdvanced Polymer Synthesis and CharacterizationPolymer Surface Interaction Studies

Encapsulated vacuum insulation panels: theoretical thermal optimization

Martin Tenpierik、J.J.M. Cauberg2010-10-05Building Research & Information

A vacuum insulation panel (VIP) is a new thermal insulation material consisting of an open-celled core material which is evacuated and then sealed with a thin barrier laminate. When it is integrated into an expanded polystyrene (EPS) insulation board and entirely encapsulated by a protective material, an additional th…

High voltage insulation and dielectric phenomenaDielectric materials and actuatorsAerogels and thermal insulation

Mapping Spatial Heterogeneity in Cu(In1−xGax)Se2 Nanocrystal‐Based Photovoltaics with Scanning Photocurrent and Fluorescence Microscopy

David P. Ostrowski、Micah S. Glaz、Brian W. Goodfellow 等 7 位作者2010-10-05Small

Scanning photocurrent and fluorescence microscopy, along with local voltage-dependent photocurrent measurements, are used to study spatial variations in electronic and optical properties across an as-fabricated, functional Cu(In1-xGax)Se2 (CIGS) nanocrystal-based photovoltaic device. Through correlation of local morph…

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