Hailin Liang、Wei Sun、Xin Jin 等 8 位作者2011-06-29Angewandte Chemie International Edition
Pores for thought: The pore size and pore shape (including “rectangular”, triangular, tetragonal, diamond, pentagonal, and hexagonal) in binary molecular porous networks formed by trimesic acid (TMA) and 4,4′-bis(4-pyridyl)biphenyl (BPBP) molecules on Au(111) is tuned simply through changing the TMA:BPBP ratio (see pi…
Porphyrin and Phthalocyanine ChemistryCovalent Organic Framework ApplicationsSurface Chemistry and Catalysis
Akihiro Takahashi、Takuya Kurahashi、Hiroshi Fujii2011-06-29Inorganic Chemistry
The oxoiron(IV) porphyrin π-cation radical complex (compound I) has been identified as the key reactive intermediate of several heme enzymes and synthetic heme complexes. The redox properties of this reactive species are not yet well understood. Here, we report the results of a systematic study of the electrochemistry…
Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms
Shengfang Li、Shilin Yan、Jianying Yu 等 4 位作者2011-06-29Journal of Applied Polymer Science
Abstract Two types of novel benzoxazine‐based phenolic resins from phenol‐furfural (PFB) and cardanol‐furfural (CFB) resins had been synthesized and the highly thermally stable polybenzoxazines were obtained by the thermal cure of the corresponding benzoxazine‐based phenolic resins. The chemical structure of benzoxazi…
Liquid Crystal Research AdvancementsEpoxy Resin Curing ProcessesSynthesis and properties of polymers
Traian Sulea、Qizhi Cui、Enrico O. Purisima2011-06-29Journal of Chemical Information and Modeling
Solvated interaction energy (SIE) is an end-point physics-based scoring function for predicting binding affinities from force-field nonbonded interaction terms, continuum solvation, and configurational entropy linear compensation. We tested the SIE function in the Community Structure-Activity Resource (CSAR) scoring c…
Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function
Dietmar Salaberger、Karthik Kannappan、Johann Kastner 等 5 位作者2011-06-29International Polymer Processing
Abstract Sub-μm computed tomography (sub-μm-CT) was used to determine the fibre orientation and fibre length distribution in long glass fibre filled polypropylene. For data evaluation two different concepts based on the application of a sequence of different filters were applied. The first concept is based on segmenta…
Composite Material MechanicsNon-Destructive Testing TechniquesGraphite, nuclear technology, radiation studies
Yousuke Ooyama、Shogo Inoue、Tomoya Nagano 等 8 位作者2011-06-29Angewandte Chemie
Gut befestigt: Die Photostromdichte und der Wirkungsgrad von Solarzellen auf der Basis Pyridin-haltiger, π-konjugierter Donor-Akzeptor(D-π-A)-Farbstoffe (siehe Schema) übertreffen die Parameter herkömmlicher D-π-A-Farbstoffsensibilisatoren mit Carboxygruppen als elektronenziehender Ankergruppe. Die Farbstoffe sind übe…
TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesPolyoxometalates: Synthesis and Applications
Gianluca Rossato、Beat Ernst、Angelo Vedani 等 4 位作者2011-06-29Journal of Chemical Information and Modeling
Water molecules mediating polar interactions in ligand-protein complexes can substantially contribute to binding affinity and specificity. To account for such water molecules in computer-aided drug design, we performed an extensive search in the Cambridge Structural Database (CSD) to identify the geometrical criteria…
Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function
Radu Burlică、Kai‐Yuan Shih、Bogdan Hnatiuc 等 4 位作者2011-06-29Industrial & Engineering Chemistry Research
Abstract The formation rates and energy yields of H2 formed from methanol, propanol, and ethanol solutions exposed to a nonthermal pulsed plasma-gliding arc reactor equipped with a spray nozzle were determined. The H2 energy yield formation was the highest with Ar carrier and pure methanol giving 176 ± 25% kW h at the…
Catalytic Processes in Materials SciencePlasma Applications and DiagnosticsElectrohydrodynamics and Fluid Dynamics
S. Giraud、Reinhold Egger2011-06-29Physical Review B
We formulate and apply a theory of electron-phonon interactions for the surface state of a strong topological insulator. Phonons are modeled using an isotropic elastic continuum theory with stress-free boundary conditions and interact with the Dirac surface fermions via the deformation potential. We discuss the temper…
Topological Materials and PhenomenaAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides
Baile Chen、Weiyang Jiang、Jinrong Yuan 等 5 位作者2011-06-29IEEE Journal of Quantum Electronics
This paper presents the performance characteristics of InP-based p-i-n photodiodes with strain-compensated and lattice-matched InGaAs/GaAsSb type-II multiple quantum well (MQW) absorption regions. The results show that photodiodes with strain-compensated and lattice-matched absorption regions have optical response out…
Semiconductor Quantum Structures and DevicesAdvanced Semiconductor Detectors and MaterialsElectronic and Structural Properties of Oxides
Jun Cheng、P. Hu2011-06-29Angewandte Chemie International Edition
Simple and powerful: The reaction kinetics at surfaces of heterogeneous catalysts is reformulated in terms of the involved chemical potentials. Based on this formulism, an approach of searching for good catalysts is proposed without recourse to extensive calculations of reaction barriers and detailed kinetic analyses.…
Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization Studies
K. Shinohara、D. Regan、I. Milosavljevic 等 13 位作者2011-06-29IEEE Electron Device Letters
In this letter, we report the first experimental observation of electron velocity enhancement by aggressive lateral scaling of GaN HEMTs. Through reduction of the source-drain distance down to 170 nm usingn+-GaN ohmic regrowth, 45-nm gate AlN/GaN/Al0.08Ga0.92N HEMTs exhibited an extremely small on resistance of 0.44 Ω…
Semiconductor Quantum Structures and DevicesGaN-based semiconductor devices and materialsGa2O3 and related materials
Jae Young Lee、Chris A. Bashur、Craig Milroy 等 6 位作者2011-06-29IEEE Transactions on NanoBioscience
Engineered scaffolds simultaneously exhibiting multiple cues are highly desirable for neural tissue regeneration. To this end, we developed a neural tissue engineering scaffold that displays submicrometer-scale features, electrical conductivity, and neurotrophic activity. Specifically, electrospun poly(lactic acid-co-…
Nerve injury and regenerationConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications
Steven E. Wheeler2011-06-29Wiley Interdisciplinary Reviews Computational Molecular Science
Abstract Achieving highly accurate thermochemical predictions from relatively low levels of electronic structure theory has long been a goal of computational chemistry. One route to such a goal is to exploit the systematic cancellation of errors. This approach was spearheaded by the Pople group in the 1970s with the i…
Advanced Chemical Physics StudiesCatalysis and Oxidation ReactionsMachine Learning in Materials Science
Iltai Kim、Shana L. Bender、Jasmina Hranisavljevic 等 7 位作者2011-06-29Nano Letters
Silver metal nanoparticle (NP) enhanced fluorescence is investigated in thin films of cyanobacterial Photosystem I trimer complexes (PSI) by correlating confocal laser scanning microscopy, dark-field imaging, and fluorescence lifetime measurements. PSI represents an interesting light-harvesting complex with a 20 nm di…
Photosynthetic Processes and MechanismsQuantum Dots Synthesis And PropertiesSpectroscopy and Quantum Chemical Studies
Yunze He、Mengchun Pan、Feilu Luo 等 4 位作者2011-06-29IEEE Transactions on Magnetics
Pulsed eddy-current (PEC) testing is an electromagnetic nondestructive testing & evaluation (NDT&E) technique and defect classification is one of the most important steps in PEC defect characterization. With pulse excitation, the PEC response signals contain more features in time domain and rich information in frequen…
Hydrogen embrittlement and corrosion behaviors in metalsWelding Techniques and Residual StressesNon-Destructive Testing Techniques
Ronghua Wang、Guowang Li、Jai Verma 等 14 位作者2011-06-29IEEE Electron Device Letters
Depletion-mode high-electron mobility transistors (HEMTs) based on a quaternary barrier$\hbox{In}_{0.13}\hbox{Al}_{0.83}\hbox{Ga}_{0.04}\break\hbox{N/AlN/GaN}$heterostructure on SiC substrate were fabricated. The 66-nm-long gate device shows a dc drain current density of 2.1 A/mm, a peak extrinsic transconductance of…
GaN-based semiconductor devices and materialsRadio Frequency Integrated Circuit DesignGa2O3 and related materials
Surachet Aramrak、Markus Flury、James B. Harsh2011-06-29Langmuir
Moving air-water interfaces can detach colloidal particles from stationary surfaces. The objective of this study was to quantify the effects of advancing and receding air-water interfaces on colloid detachment as a function of interface velocity. We deposited fluorescent, negatively charged, carboxylate-modified polys…
Surface Modification and SuperhydrophobicityMinerals Flotation and Separation TechniquesElectrostatics and Colloid Interactions
Magdalena Balonis、Marta Mędala、F. P. Glasser2011-06-29Advances in Cement Research
Layered double hydroxides corresponding to Ca4Al2(NO3)2(OH)12·4H2O and Ca4Al2(NO2)2(OH)12·4H2O (nitrate and nitrite AFm phases, respectively) were synthesised and characterised using x-ray diffraction, thermogravimetry, Fourier transform infrared spectroscopy and scanning electron microscopy. Solubility and regions of…
Concrete and Cement Materials ResearchLayered Double Hydroxides Synthesis and ApplicationsMagnesium Oxide Properties and Applications
Tang-Qing Yu、Mark E. Tuckerman2011-06-29Physical Review Letters
The ability of certain organic molecules to form multiple crystal structures, known as polymorphism, has important ramifications for pharmaceuticals and high energy materials. Here, we introduce an efficient molecular dynamics method for rapidly identifying and thermodynamically ranking polymorphs. The new method empl…
Protein Structure and DynamicsCrystallography and molecular interactionsCrystallization and Solubility Studies