Li‐Ming Yang、P. Ravindran、Ponniah Vajeeston 等 4 位作者2011-12-23RSC Advances
The equilibrium solid-state structure, electronic structure, formation enthalpy, chemical bonding, and optical properties of IRMOF-10 and its alkaline earth metal analogues M-IRMOF-10 (M = Cd, Be, Mg, Ca, Sr, Ba) have been investigated with density functional calculations. The unit cell volume and atomic positions wer…
Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesCrystal Structures and Properties
Michael I. Webb、Ryan A. Chard、Y.M. Al-Jobory 等 6 位作者2011-12-23Inorganic Chemistry
A series of pyridine-based derivatives of the antimetastatic Ru(III) complex imidazolium [trans-RuCl(4)(1H-imidazole)(DMSO-S)] (NAMI-A) have been synthesized along with their sodium-ion compensated analogues. These compounds have been characterized by X-ray crystallography, electron paramagnetic resonance (EPR), NMR,…
Metal complexes synthesis and propertiesLanthanide and Transition Metal ComplexesProtein Interaction Studies and Fluorescence Analysis
Anke Butenuth、Gianpietro Moras、Julian Schneider 等 9 位作者2011-12-23physica status solidi (b)
Abstract We present a set of Coulomb point charges and van der Waals parameters for molecular dynamics simulations of interfaces between natively deprotonated amorphous SiO2 surfaces and liquid water, to be used in combination with standard biomolecular force fields. We pay particular attention to the extent of negati…
Microfluidic and Capillary Electrophoresis ApplicationsMaterial Dynamics and PropertiesSpectroscopy and Quantum Chemical Studies
Mohamed T. Khayyal、Mona A. El‐Ghazaly、Dalal Abdallah 等 6 位作者2011-12-23Arzneimittelforschung
A standardized willow bark extract (STW 33-I) has been examined to clarify its possible mechanism of action as an anti-inflammatory agent. Various facets have been investigated in two inflammation models: the 6-day air pouch model in rats, representing the acute state and the adjuvant induced arthritis representing th…
Inflammatory mediators and NSAID effectsPhytochemistry and Biological ActivitiesPhytochemistry and Bioactive Compounds
Bin Su、Shutao Wang、Jie Ma 等 7 位作者2011-12-23Advanced Materials
Elaborate positioning of nanowire arrays can be generated upon highly adhesive superhydrophobic pillar-structured silicon substrates. The site of each nanowire can be precisely positioned by well designed tip-structured micropillars, yielding on-demand nanowire patterns. This approach might affect existing application…
Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsNanowire Synthesis and Applications
Zhaoteng Xue、Jinghong Ma、Wenming Hao 等 7 位作者2011-12-23Journal of Materials Chemistry
An ordered mesoporous zeolite LTA is prepared by using organofunctionalized silica as Si-source. The mesoporous zeolite LTA has nano-cages of 3 nm interconnected to each other through 0.8–1.2 nm channels. A Jacobsen salen complex can be encapsulated successfully in the supercages of the zeolite. 29Si, 27Al-MAS NMR and…
Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisChemical Synthesis and Characterization
Changhyun Pang、Tae‐il Kim、Won Bae 等 6 位作者2011-12-23Advanced Materials
A reversible interlocker that is inspired by the wing locking device of beetles is presented. It exploits the van der Waals force-assisted binding between high-aspect-ratio polymer fibers. The two-layered interlocker is highly flexible and displays an extremely high shear locking force and easy normal lift-off.
Surface Modification and SuperhydrophobicityForce Microscopy Techniques and ApplicationsAdhesion, Friction, and Surface Interactions
Guy Dimonte、Guillermo Terrones、F. J. Cherne 等 10 位作者2011-12-23Physical Review Letters
We use the Richtmyer-Meshkov instability (RMI) at a metal-gas interface to infer the metal's yield stress (Y) under shock loading and release. We first model how Y stabilizes the RMI using hydrodynamics simulations with a perfectly plastic constitutive relation for copper (Cu). The model is then tested with molecular…
Laser-Plasma Interactions and DiagnosticsHigh-Velocity Impact and Material BehaviorNuclear Physics and Applications
E. D. Bauer、M. M. Altarawneh、P H Tobash 等 17 位作者2011-12-23Journal of Physics Condensed Matter
The physical properties of the first In analog of the PuMGa(5) (M = Co, Rh) family of superconductors, PuCoIn(5), are reported. With its unit cell volume being 28% larger than that of PuCoGa(5), the characteristic spin-fluctuation energy scale of PuCoIn(5) is three to four times smaller than that of PuCoGa(5), which s…
Rare-earth and actinide compoundsIron-based superconductors researchMagnetic Properties of Alloys
Lydia E.H. Paul、Bruno Therrien、Julien Furrer2011-12-23Inorganic Chemistry
The relative affinity of the cationic triangular metallaprism, [(pCH(3)C(6)H(4)Pr(i))(6)Ru(6)(tpt)(2)(dhbq)(3)](6+) ([1](6+)), for various amino acids, ascorbic acid, and glutathione (GSH) has been studied at 37 °C in aqueous solutions at pD 7, using NMR spectroscopy and electrospray ionization mass spectrometry (ESI-…
Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes
Xukai Xin、Jun Wang、Wei Han 等 5 位作者2011-12-23Nanoscale
Dye-sensitized solar cells (DSSCs) were prepared by capitalizing on a TiO(2) bilayer structure composed of P-25 nanoparticles and freestanding crystalline nanotube arrays as photoanodes. After being subjected to sequential TiCl(4) treatment and O(2) plasma exposure, the bilayer photoanode was sensitized with N719 dye.…
TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesTransition Metal Oxide Nanomaterials
Lei Zhang、Bright Walker、Feng Liu 等 8 位作者2011-12-23Journal of Materials Chemistry
This communication reports the synthesis of a new polycyclic aromatic hydrocarbon and its unique packing motif. This molecule is shown to be an efficient electron donor in organic bulk heterojunction solar cells, exhibiting a power conversion efficiency of ∼2.0%.
Organic Electronics and PhotovoltaicsConducting polymers and applicationssolar cell performance optimization
Sung‐Hoon Ahn、Won Seok Chi、Jung Tae Park 等 6 位作者2011-12-23Advanced Materials
Solid-state dye-sensitized solar cell with 7.1% efficiency at 100 mW/cm(2) is reported, one of the highest observed for N719 dye. Excellent performance was achieved via a graft copolymer-templated, organized mesoporous TiO(2) film with a large surface area using spindle-shaped, preformed TiO(2) nanoparticles and solid…
TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesAdvanced Nanomaterials in Catalysis
Haimin Zhang、Xiaolu Liu、Yibing Li 等 9 位作者2011-12-23Journal of Materials Chemistry
In this work, vertically aligned nanorod-like rutile TiO2 single crystal nanowire bundles were directly grown onto FTO conducting substrates via a facile, one-pot hydrothermal method. The fabricated nanorod-like rutile TiO2 single crystal nanowire bundles display a diameter range of 150–200 nm and a mean length of 0.9…
TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesCopper-based nanomaterials and applications
Vladimir N. Uversky、A. Keith Dunker2011-12-23Analytical Chemistry
Intrinsically disordered proteins are highly abundant in various proteomes. They are different from ordered proteins at many levels, and their structural and functional characterization requires special experimental and computational tools.
Protein Structure and DynamicsEndoplasmic Reticulum Stress and DiseaseEnzyme Structure and Function
Caixia Xu、Qian Li、Yunqing Liu 等 5 位作者2011-12-23Langmuir
The hierarchical nanoporous (NP) PtFe alloy with multimodal size distributions is straightforwardly fabricated by means of mild de-alloying of the PtFeAl source alloy. This interesting NP structure consists of interconnected larger ligaments around hundreds of nanometers, in which these ligaments are also composed of…
Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceNanoporous metals and alloys
Alessandro Gallo、Marcello Marelli、Rinaldo Psaro 等 8 位作者2011-12-23Green Chemistry
A new class of bimetallic Au–Pt/TiO2 photocatalysts were developed and employed in H2 photoassisted production using ethanol as a sacrificial reagent both under UV-A and simulated sunlight irradiation. Remarkably, preliminary experiments show promising hydrogen evolution under visible light using Au0.5–Pt0.5/TiO2 with…
TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesCatalytic Processes in Materials Science
Shaolong Gong、Xun He、Yonghua Chen 等 8 位作者2011-12-23Journal of Materials Chemistry
Two simple CBP isomers, namely mm-CBP and ooo-CBP, were designed and synthesized by finely tuning the linking topology between the carbazole and the central biphenyl units of CBP, and their thermal, photophysical and electrochemical properties were investigated. Such simple modification of the linking topology endows…
Perovskite Materials and ApplicationsOrganic Light-Emitting Diodes ResearchConducting polymers and applications
Jinchong Xiao、Shuwei Liu、Yi Liu 等 8 位作者2011-12-23Chemistry - An Asian Journal
A novel compound, 5,7,14,16-tetraphenyl-8:9,12:13-bisbenzo-hexatwistacene (TBH), has been successfully synthesized through a retro-Diels-Alder reaction. Single-crystal structure analysis indicated that TBH has a twisted configuration with a torsion angle of 27.34°. The HOMO-LUMO gap of TBH calculated from the differen…
Organic Electronics and PhotovoltaicsConducting polymers and applicationsLuminescence and Fluorescent Materials
Guodan Wei、Xin Xiao、Siyi Wang 等 7 位作者2011-12-23ACS Nano
We study a family of functionalized squaraine (fSQ) donors for absorbing in the near-infrared (NIR) and green spectral regions. The NIR-absorbing materials are the symmetric molecules 2,4-bis[4-(N-phenyl-1-naphthylamino)-2,6-dihydroxyphenyl]squaraine (1-NPSQ), 2,4-bis[4-(N,N-diphenylamino)-2,6 dihydroxyphenyl]squarain…
Organic Electronics and PhotovoltaicsConducting polymers and applicationsLuminescence and Fluorescent Materials