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。
The kinetics of the incorporation of an aromatic diol in poly(butylene terephthalate) (PBT) via solid-state polymerization (SSP) was studied. The selected diol was 2,2-bis[4-(2-hydroxyethoxy)phenyl]propane (Dianol 220). Mixtures consisting of 85 mol % PBT and 15 mol % Dianol were isothermally polymerized in the solid-…
Dihydroxyacetone kinases are a family of sequence-related enzymes that utilize either ATP or a protein of the phosphoenolpyruvate:sugar phosphotransferase system (PTS) as a source of high energy phosphate. The PTS is a multicomponent system involved in carbohydrate uptake and control of carbon metabolism in bacteria.…
Abstract Adsorption has been investigated using bovine serum albumin (BSA) as the model protein and sulfonated microspheres as the matrix. The adsorption appears to be sensitive to time, pH, and ionic strength, and the presence of sulfonate groups can play important roles in this process, increasing the adsorption rat…
Epitaxial films of ferrimagnetic Mn4N(111) are grown directly on 6H-SiC(0001) substrates and GaN∕6H-SiC(0001) templates using reactive molecular-beam epitaxy. The films are free from secondary phases and exhibit the theoretical saturation magnetization of Mn4N.
We report on a computer simulation study of the early stages of the crystallization of molecular nitrogen. First, we study how homogeneous nucleation takes place in supercooled liquid N(2) for a moderate degree of supercooling. Using the umbrella sampling technique, we determine the free energy barrier of formation fo…
After each division of a diatom cell, a new siliceous hypovalve is formed inside the silica deposition vesicle (SDV). We present the sequence of this early formation of the new valve in the pennate marine diatom Navicula salinarum (Grunow) Hustedt, visualized by using the fluorescent probe 2‐(4‐pyridyl)‐5‐((4‐(2‐dimet…
Development and application of coarse-graining methods to condensed phases of macromolecules is an active area of research. Multiscale modeling of polymeric systems using coarse-graining methods presents unique challenges. Here we apply a coarse-graining method that self-consistently maps structural correlations from…
We use a simple extension of the dissipative particle dynamics (DPD) model to address the dynamical properties of macrosolutes immersed in complex fluid solvents. In this approach, the solvent particles are still represented as DPD particles, thereby retaining the time and length scale advantages offered by the DPD ap…
Two different conformations of the inner loop (residues 340-346) have been found in the soybean beta-amylase structures. In the "product form", the Thr 342 residue creates hydrogen bonds with Glu 186 (catalytic acid) and with the glucose residues at subsites -1 and +1, whereas most of those interactions are lost in th…
Lowe-Andersen (LA) temperature controlling method [C. P. Lowe, Europhys. Lett. 47, 145 (1999)] is applied in a series of mesoscopic polymer simulations to test its validity and efficiency. The method is an alternative for dissipative particle dynamics simulation (DPD) technique which is also Galilean invariant. It sho…
Hyperbranched poly(phenylene sulfide) was prepared from 3,4-dichlorobenzenethiol. This monomer was treated with potassium carbonate in an amide solvent, either N, N -dimethylformamide (DMF) or N -methylpyrrolidone (NMP). Polymerization for 24 h at 100 °C in DMF gave a polymer with a M w of 17 kD and a polydispersity o…
The halogen-terminated Si(111) (Si-X, X = Cl, Br) surfaces contain effective initiators for surface-initiated atom transfer radical polymerization. Well-defined polymer-Si hybrids, consisting of covalently tethered (Si-C bonded) functional polymer brushes, can be prepared directly from the Si-X surfaces.
Multilayers consisting of the periodic repetition of two layers with different refractive indices (nH and nL) may have an omnidirectional band gap, the width of which depends on the incidence medium and on the refractive index ratio nH∕nL. In porous silicon, this ratio is limited by the material and fabrication charac…
Perovskite solid solutions along the NaNbO 3 −SrTiO 3 join have been synthesized using the sol−gel and solid-state sintering methods. XRD analysis indicates that as Sr+Ti content increases, the perovskite structure changes from the orthorhombic to tetragonal and to cubic. The enthalpies of formation from the constitue…
Abstract A methodology for simple multiscale modeling of mechanical properties of polymer nanocomposites has been developed. This methodology consists of three steps: (1) obtaining from molecular dynamics simulations the viscoelastic properties of the bulklike polymer and approximating the position‐dependent shear mod…
Five new d0 transition metal iodates, BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4.(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4.H2O, have been synthesized by hydrothermal methods using Ba(OH)2.8H2O, La2O3, K2CO3, TiO2, V2O5, MoO3, and HIO3 as reagents. The structures of these compounds were determined by single-crystal X-ray diffra…
Polycarbonates (1) are an interesting and commercially successful class of polymers. Known for useful properties such as high heat capability, optical clarity, and incredible toughness, polycarbonates continue to generate academic interest as well as finding new avenues for commercial utilization. Although aromatic po…
Abstract Two different gel‐type resins have been prepared by suspension polymerization using 2 wt % divinylbenzene (DVB) with either p ‐vinylbenzyl chloride (pVBC) or a mixture of VBC isomers (∼ 70% m‐; ∼ 30% p‐). Significant difference in the chlorine content was observed, which was attributed to a more favored hydro…
We have developed fully integrated nanotube composite materials through the functionalization of multiwall carbon nanotubes (MWCNTs) by covalently attaching ferritin protein molecules onto the surface of MWCNTs. The investigation of the thermomechanical behavior was performed by dynamic mechanical thermal analysis. Re…
Indium zinc oxide thin films were deposited by radio-frequency cosputtering and characterized by x-ray photoelectron spectroscopy (XPS), x-ray diffraction, energy dispersion x-ray spectrometry, Hall-effect measurement, and spectrophotometry techniques. All the films have zinc∕(zinc+indium) atomic ratio (define as M ra…