Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
As microelectrodes gain widespread use for electrochemical sensing, biopotential recording, and neural stimulation, it becomes important to understand the dependence of electrochemical impedance on microelectrode size. It has been shown mathematically that a disc electrode, coplanar in an insulating substrate and expo…
Molecular fluorescence decay is significantly modified when the emitting molecule is located near a plasmonic structure. When the lateral sizes of such structures are reduced to nanometer-scale cross sections, they can be used to accurately control and amplify the emission rate. In this Rapid Communication, we extend…
Computational quantum theory is employed to determine the thermochemical properties of n-alkyl nitro and nitrite compounds: methyl and ethyl nitrites, CH3ONO and C2H5ONO, plus nitromethane and nitroethane, CH3NO2 and C2H5NO2, at 298.15 K using multilevel G3, CBS-QB3, and CBS-APNO composite methods employing both atomi…
Electronic structure calculations at the coupled cluster (CCSD(T)) and density functional theory levels with relativistic effective core potentials and large basis sets were used to predict the isolated uranyl ion frequencies. The effects of anharmonicity and spin-orbit corrections on the harmonic frequencies were cal…
A combined computer simulation and experimental study describing the viscoelastic properties of linear polyethylene is presented. For the simulation, a set of C 1000 polyethylene models were equilibrated using advanced Monte Carlo moves. Then, MD trajectories were calculated. From these simulations the entanglement mo…
The interface modification of dye-sensitized solar cells (DSSCs) in order to remove I 3 − on the TiO 2 electrodes is important for improving their performance. The suppression of the back electron transfer by a modified interface improves the open-circuit voltage. In this study, we demonstrated that the suppression me…
Highly fluorescent main-chain-type organoboron quinolate polymers were prepared by means of Sonogashira−Hagihara coupling reaction between diyne monomers and methyl-substituted diiodo-organoboron quinolates. By combining methyl substitution of quinolinol ligands and incorporation of organoboron quinolate into polymer…
We report here a new, label-free approach to measure serum protein binding constants. The assay is able to measure HSA K d values in the milli-molar to micromolar range. The protein is not immobilized on any surface and the assay self-corrects for nonspecific adsorption. No mass balance is required to get accurate bin…
Direct addition of tetracyanoethylene to N-(p-hexylphenyl)dithieno[3,2-b:2',3'-d]pyrrole yields not only the aromatic mono- and bis-tricyanovinyl-substituted products but also a quinoidal product with dicyanomethylene groups. The analogous reaction with dithieno[3,2-b:2',3'-d]thiophene yields exclusively the aromatic…
The effects of immersion in alkaline solutions on the gel structure and pore network of fly ash based geopolymers are investigated. Immersion in carbonate or hydroxide solutions of up to pH 14 results in very little leaching of framework components (Si or Al) from the geopolymer gel, and a largely unchanged mesoporous…
We use finite-difference time-domain (FDTD) simulations to demonstrate enhanced infrared absorption in a photodetector covered with a microstructured metal film consisting of a metal-plasmon grating collector/ concentrator and sub-wavelength detector well; for circular gratings we use radial FDTD, and for linear grati…
Abstract Taiwan acacia ( Acacia confusa ) and China fir ( Cunninghamia lanceolata ) were liquefied in polyethylene glycol (PEG)–glycerol cosolvent, with sulfuric acid (H 2 SO 4 ) as a catalyst. The liquefied woods were blended with three kinds of isocyanate, such as poly‐4,4′‐diphenylmethane diisocyanate (PMDI), Desmo…
Carrier compensation in semi-insulating CdTe has been attributed to the compensation of surplus shallow acceptors by deep donors, usually assumed to be Te antisites. However, our first-principles calculations show that intrinsic defects may not have a significant effect on the carrier compensation due either to lack o…
The uptake and catabolism of galactose by the yeast Saccharomyces cerevisiae is much lower than for glucose and fructose, and in applications of this yeast for utilization of complex substrates that contain galactose, for example, lignocellulose and raffinose, this causes prolonged fermentations. Galactose is metaboli…
High-throughput screening (HTS) of chromatography resins for identifying optimal protein purification conditions is becoming an integral part of industrial process development. In this work, ceramic hydroxyapatite (cHA) chromatography of 15 humanized monoclonal antibodies (mAbs) was examined by HTS. MAb binding, as qu…
We present a detailed study of the low-energy excitations of two existing finite-size realizations of the planar kagom\'e Heisenberg antiferromagnet on the sphere: the cuboctahedron and the icosidodecahedron. After highlighting a number of special spectral features (such as the presence of low-lying singlets below the…
Abstract A green, simple and effective polymer‐supported catalytic system has been developed for the cyclization of propargyl alcohols with carbon dioxide (CO2). α‐Alkylidene cyclic carbonates were obtained in satisfactory isolated yields in most cases. The catalyst could be recovered by simple filtration and reused s…
The magnetic susceptibility, field-dependent heat capacity, and electrical transport properties (resistivity and Hall effect) are investigated for filled skutterudites $M{\mathrm{Fe}}_{4}{\mathrm{Sb}}_{12}$ with $M=\mathrm{Na}$, K, Ca, Sr, Ba, Yb, and La. The specific heat ${c}_{p}(T)$ reveals linear terms $\ensuremat…
We employ a multiscale theoretical method, which combines the first-principle calculation and a grand canonical Monte Carlo (GCMC) simulation, to predict the adsorption capacity of hydrogen in silicon nanotube (SiNT) arrays at T = 298 K in the pressure range from 1 to 10 MPa. In the multiscale method, the binding ener…
We analyze the protein-RNA interfaces in 81 transient binary complexes taken from the Protein Data Bank. Those with tRNA or duplex RNA are larger than with single-stranded RNA, and comparable in size to protein-DNA interfaces. The protein side bears a strong positive electrostatic potential and resembles protein-DNA i…