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RNA and protein 3D structure modeling: similarities and differences

Kristian Rother、Magdalena B. Rother、M. Boniecki 等 5 位作者2011-01-21Journal of Molecular Modeling

In analogy to proteins, the function of RNA depends on its structure and dynamics, which are encoded in the linear sequence. While there are numerous methods for computational prediction of protein 3D structure from sequence, there have been very few such methods for RNA. This review discusses template-based and templ…

Protein Structure and DynamicsRNA and protein synthesis mechanismsEnzyme Structure and Function

Chirality‐Triggered Wettability Switching on a Smart Polymer Surface

Guangyan Qing、Taolei Sun2011-01-21Advanced Materials

Chiral recognition of monosaccharide enantiomers is translated into large-extent wettability switching and other macroscopic surface properties, e.g., volume, on a smart copolymer film containing dipeptide units by a cooperative hydrogen-bonding interaction. This work points to a promising direction for developing nov…

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsSurface Chemistry and Catalysis

Diaxial Diureido Decalins as Compact, Efficient, and Tunable Anion Transporters

Sabir Hussain、Peter R. Brotherhood、Luke W. Judd 等 4 位作者2011-01-21Journal of the American Chemical Society

Decalins bearing two axial -NHCONHAr substituents and an ester-linked alkyl side chain have been synthesized and studied as anion receptors and transporters. The design relates to steroid-based "cholapods" but is more compact and less intrinsically lipophilic. Transport rates depend on both NHAr and the alkyl side cha…

Molecular Sensors and Ion DetectionLuminescence and Fluorescent MaterialsAnalytical Chemistry and Sensors

N-Rich Salts of 2-Methyl-5-nitraminotetrazole: Secondary Explosives with Low Sensitivities

T. Fendt、N. Fischer、Thomas M. Klapötke 等 4 位作者2011-01-21Inorganic Chemistry

2-Methyl-5-nitraminotetrazole (1) was formed by nitration of 2-methyl-5-aminotetrazole. 2-Methyl-5-aminotetrazole was obtained by an improved synthesis starting from sodium 5-aminotetrazolate, which is methylated with dimethyl sulfate in dimethyl formamide giving 2-methyl-5-aminotetrazole in 29% yield. Nitrogen-rich s…

Energetic Materials and CombustionCombustion and Detonation ProcessesThermal and Kinetic Analysis

Toward Printable Sensitized Mesoscopic Solar Cells: Light-Harvesting Management with Thin TiO2Films

Tsutomu Miyasaka2011-01-21The Journal of Physical Chemistry Letters

Sensitized mesoscopic solar cells can exhibit high performance and processability by the use of a thin semiconductor layer in combination with a sensitizer of superior light-harvesting ability. This combination is an important key toward the realization of high-efficiency flexible solar cells using solution-based, rap…

TiO2 Photocatalysis and Solar CellsPerovskite Materials and ApplicationsQuantum Dots Synthesis And Properties

Cooperative Assembly of Three‐Ring‐Based Zeolite‐Type Metal–Organic Frameworks and Johnson‐Type Dodecahedra

Shou‐Tian Zheng、Fan Zuo、Tao Wu 等 8 位作者2011-01-21Angewandte Chemie International Edition

Two birds with one stone: Cooperative assembly of four-connected indium nodes with two symmetry-complementary ligands leads to both three-ring-based zeolite-type metal–organic frameworks (NPO-type) and the Johnson-type metal–organic polyhedra shown in the picture (gray C, green In, blue N, red O). The NPO-zeolite comp…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsCovalent Organic Framework Applications

Encapsulation of Gold Nanoparticles in a DNA Origami Cage

Zhao Zhao、Erica L. Jacovetty、Yan Liu 等 4 位作者2011-01-21Angewandte Chemie International Edition

Fold and label: A critical challenge in nanoparticle (NP) surface functionalization is to label the NP surface with a single copy of a functional group or to display multiple, unique molecules on the NP surface with control of the orientation and intermolecular distance. This challenge was addressed with the construct…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesBacteriophages and microbial interactions

A Versatile Low Bandgap Polymer for Air‐Stable, High‐Mobility Field‐Effect Transistors and Efficient Polymer Solar Cells

Kok‐Haw Ong、Siew‐Lay Lim、Huei‐Shuan Tan 等 10 位作者2011-01-21Advanced Materials

A new low bandgap polymer POD2T-DTBT has been synthesized and found to give excellent performances in organic thin-film transistor (OTFT) and organic photovoltaic (OPV) applications. OTFTs based on POD2T-DTBT have achieved good hole carrier mobilities of 0.2 cm2V−1s−1 and OPVs based on blends of POD2T-DTBT and PC71BM…

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

Towards the Generation of Self‐Healing Materials by Means of a Reversible Photo‐induced Approach

Pablo Froimowicz、Holger Frey、Katharina Landfester2011-01-21Macromolecular Rapid Communications

Photo-induced reversibility as a tool for self-healing: a reversible photo-induced dendritic macromonomer was synthesized and proven to form networks with different features depending on the crosslinking conditions. While networks formed from aqueous systems exhibited a reversible change in their crosslinking degree,…

Advanced Polymer Synthesis and CharacterizationPolymer composites and self-healingPhotochromic and Fluorescence Chemistry

Low-Field NMR Investigations of Nanocomposites: Polymer Dynamics and Network Effects

Aurélie Papon、Kay Saalwächter、Kerstin Schäler 等 6 位作者2011-01-21Macromolecules

Abstract The dynamics of the polymer matrix in filled rubbers is modified by the presence of solid particles. We used low-field proton NMR to investigate model filled samples consisting of a dispersion of grafted silica particles into an elastomeric matrix. Exploiting magic-sandwich echo experiments, we were able to d…

Material Dynamics and PropertiesAdvanced NMR Techniques and ApplicationsNMR spectroscopy and applications

Synthesis of Monodisperse, Rodlike Silica Colloids with Tunable Aspect Ratio

Anke Kuijk、Alfons van Blaaderen、Arnout Imhof2011-01-21Journal of the American Chemical Society

Although the experimental study of spherical colloids has been extensive, similar studies on rodlike particles are rare because suitable model systems are scarcely available. To fulfill this need, we present the synthesis of monodisperse rodlike silica colloids with tunable dimensions. Rods were produced with diameter…

Photonic Crystals and ApplicationsMesoporous Materials and CatalysisPickering emulsions and particle stabilization

Redetermination of synthetic warwickite, Mg3TiO2(BO3)2

Tetsuya Kawano、Hisanori Yamane2011-01-21Acta Crystallographica Section E Structure Reports Online

Single crystals of warwickite, trimagnesium titanium(IV) dioxide bis-(borate), Mg(3)TiO(2)(BO(3))(2), were prepared by slow cooling of the melt. The title compound is isotypic with Co(3)TiO(2)(BO(3))(2). In contrast to the previous refinement of warwickite [Moore & Araki (1974 ▶). Am. Mineral.59, 985-1004], that repor…

Crystal Structures and PropertiesChemical Synthesis and CharacterizationX-ray Diffraction in Crystallography

Wettability of biomimetic thermally grown aluminum oxide coatings

Jadid E. Samad、John A. Nychka2011-01-21Bioinspiration & Biomimetics

In this paper, wettability behavior of a rough but intrinsically hydrophilic oxide ceramic, formed via simple thermal oxidation of a commercial metallic alloy in laboratory air, has been analyzed. Drop shape analysis (DSA) revealed static water contact angles for the rough ceramic surfaces up to 128° (greater than for…

Surface Modification and SuperhydrophobicityAdhesion, Friction, and Surface InteractionsFluid Dynamics and Thin Films

Ab Initio Study on Manganese Doped Cadmium Ferrite $(\hbox{Cd}_{1-x}\hbox{Mn}_{x}\hbox{Fe}_{2}\hbox{O}_{4})$

Min Feng、Xu Zuo、C. Vittoria 等 5 位作者2011-01-21IEEE Transactions on Magnetics

Manganese doped cadmium ferrites (Cd1-xMnxFe2O4, x=0, 0.25, 0.5, 0.75, 1) were studied by using ab initio calculation based on generalized gradient approximation (GGA). The dependence of electronic structure and magnetic properties on the additional on-site Coulomb repulsion (U) was investigated. In the calculation, n…

Magnetic Properties and Synthesis of FerritesIron oxide chemistry and applicationsMagneto-Optical Properties and Applications

Redistribution of energy flow in a material due to damping

Xin Li、Donna M. Pierce、Henk F. Arnoldus2011-01-21Optics Letters

The field lines of energy flow of the radiation emitted by a linear dipole in free space are straight lines, running radially outward from the source. When the dipole is embedded in a medium, the field lines are curves when the imaginary part of the relative permittivity is finite. It is shown that due to the damping…

Metamaterials and Metasurfaces ApplicationsElectromagnetic Scattering and AnalysisMicrowave Imaging and Scattering Analysis

A Millimeter-Wave Tunable Electromagnetic Absorber Based on $\varepsilon$-Al$_{\rm x}$Fe$_{2-{\rm x}}$O$_{3}$ Nanomagnets

Mohammed N. Afsar、Zijing Li、Konstantin A. Korolev 等 5 位作者2011-01-21IEEE Transactions on Magnetics

High-performance millimeter-wave absorber composed of ε-AlxFe2-xO3nanomagnets is prepared by sol-gel techniques. Free space quasi-optical spectrometer equipped with a set of tunable backward-wave oscillators as power sources is used in this work to study the absorption property of this series of materials. Special alu…

Magnetic Properties and Synthesis of FerritesElectromagnetic wave absorption materialsAdvanced Antenna and Metasurface Technologies

Kelvin Probe Force Microscopy of Defects in ZnO Nanocrystals Associated with Emission at 3.31 eV

Saidislam Kurbanov、Woo Chul Yang、Tae Won Kang2011-01-21Applied Physics Express

The surface potential variations on ZnO nanocrystal surfaces were investigated by using Kelvin probe force microscopy. It was found that the nanocrystal surface contains randomly distributed circular pits with a diameter of ∼100 nm and a depth of ∼30 nm and that the surface potential within the pits is lower than that…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesElectronic and Structural Properties of Oxides

High‐Tg Transparent Poly(ether sulfone)s Based on Phosphinated Bisphenols

Ching Hsuan Lin、Sheng Lung Chang、Tsai Pei Wei2011-01-21Macromolecular Chemistry and Physics

Abstract The preparation of high‐Tg transparent polymers from poly(ether sulfone)s with bulky phosphinate pendants is described. Poly(ether sulfone)s P1–P3 based on biphenylene phosphinate‐substituted bisphenols were prepared. The thermal properties of P1 and P2 were studied and compared with a bisphenol‐A‐based poly(…

biodegradable polymer synthesis and propertiesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Fabrication and Thermo-Mechanical Characterization of a Shape Memory Alloy Hybrid Composite

Gabriella Faiella、Vincenza Antonucci、Fédérica Daghia 等 5 位作者2011-01-21Journal of Intelligent Material Systems and Structures

Shape memory alloy (SMA) elements embedded in a structure allow to control the structural properties, thanks to their coupled thermo-mechanical behavior. In this study, the manufacturing and the shape control abilities of glass fiber/polyester resin SMA hybrid composites (SMAHCs) were experimentally investigated. Mech…

Polymer composites and self-healingShape Memory Alloy TransformationsInnovations in Concrete and Construction Materials

Layer‐by‐Layer Fabrication of Covalently Crosslinked and Reactive Polymer Multilayers Using Azlactone‐Functionalized Copolymers: A Platform for the Design of Functional Biointerfaces

Maren E. Buck、David M. Lynn2011-01-21Advanced Engineering Materials

We report a method for modulating the physicochemical properties of surfaces that is based on the reactive layer-by-layer fabrication of covalently crosslinked thin films using azlactone-functionalized copolymers. We demonstrate that copolymers containing different molar ratios of methylmethacrylate (MMA) and 2-vinyl-…

Surface Modification and SuperhydrophobicityPolymer Surface Interaction StudiesNanofabrication and Lithography Techniques