Materials Literature
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Recent theoretical advances have established that the electric polarization in an insulating crystal can be viewed as a multivalued quantity that is determined by certain Berry phases associated with the occupied Bloch bands. The application of this approach to the computation of piezoelectric coefficients is not enti…
We propose an efficient linear-scaling time-dependent method for calculating nonlinear response function, and study the size effects in non-degenerate two photon absorption spectra of Si nanocrystallites by using semi-empirical pseudopotentials.
A protein isolated from a biosilica (shown schematically) catalyzes alkoxysilane polycondensation at neutral pH values and low temperatures. Replacement of either of two specific side chain functionalities (Ser-26 and His-165) significantly diminishes catalysis, supporting a reaction mechanism analogous to that of a w…
In order to clarify the origin of the hysteresis between freezing and melting of pore water, we performed x-ray diffraction measurements of water confined inside the cylindrical pores of seven kinds of siliceous MCM-41 (a member of ordered mesoporous materials denoted by Mobil Oil researchers) with different pore radi…
The mechanical toughness of modified ABS (acrylonitrile–butadiene–styrene) alloys was evaluated using Izod impact, tensile, and compact tension tests. The modified ABS alloys contain 20 wt % of styrene–N-phenylmaleimide (SMI) that is added to enhance the thermal resistance of the ABS. In this study, the effects of mat…
A hydrogenated styrene–butadiene copolymer (HSBR) was prepared by a diimide reduction of SBR in the latex stage. The influence of the styrene content on various reaction parameters, namely, time, temperature, and concentration of the reactants and the catalyst was studied. A comparatively lower temperature, longer tim…
This article deals with the characterization of blend films obtained by mixing silk fibroin (SF) and polyacrylamide (PAAm). The DSC curves of SF/PAAm blend films showed overlapping of the main thermal transitions characteristic of the individual polymers. The exothermic peak at 218°C, assigned to the β-sheet crystalli…
Our observations on whole mounted major ampullate silk glands suggested that the thread is drawn from a hyperbolic die using a pre–orientated lyotropic liquid crystalline feedstock. Polarizing microscopy of the gland's duct revealed two liquid crystalline optical textures: a curved pattern in the feedstock within the…
The substituted tetraphenylporphyrins palladium 5,10,15,20-tetrakis(2‘,3‘,5‘,6‘-tetrafluorophenyl-4‘-octadecyloxyphosphonic acid)porphyrin ( 16 ) and palladium 5,10,15-tris(2‘,6‘-dichlorophenyl)-20-(2‘,3‘,5‘,6‘-tetrafluorophenyl-4‘-octadecyloxyphosphonic acid)porphyrin ( 17 ) have been studied as Langmuir monolayers a…
The frequency-dependent polarizabilities of a number of halogen-substituted benzene species are computed using ab-initio methods. The polarizability tensors are analyzed for possible additive properties. Simple group or atom additivity trivially fails (the overall polarizability is not a sum of isotropic atom or group…
The determination of low-Z elements such as carbon, nitrogen, and oxygen in atmospheric aerosol particles is of interest in studying environmental pollution. Conventional electron probe microanalysis technique has a limitation for the determination of the low-Z elements, mainly because the Be window in an energy-dispe…
It is known in the literature that InGaP alloy synthesized within a certain range of growth temperature (520 - 720 degree Centrigrade) shows Cu-Pt crystal ordering. This ordering reduces the band gap energy . It was predicted that the ordering induced modification of energy levels of InGaP lowers its conduction band e…
We present an attempt to build up a new two-body effective potential for hydrogen fluoride, fitted to theoretical and experimental data relevant not only to the gas and liquid phases, but also to the crystal. The model is simple enough to be used in Molecular Dynamics and Monte Carlo simulations. The potential consist…
A 34-membered macrocyclic ligand with six pendant carboxymethyl groups has been synthesized by the coupling of two diethylenetriaminepentaacetate (dtpa) and two 1,4-diaminobutane units: the macrocycle is 2,12,19,29-tetraoxo-1,4,7,10,13,18,21,24,27,30-decaaza-4,7,10,21,24,27-cyclotetratriacontanehexaacetic acid, abbrev…
A novel strategy for the maximum production of a biodegradable copolymer, poly(3-hydroxybutyric-co-hydroxyvaleric) acid, P(HB-co-HV), was developed, based on the kinetic parameters obtained from fed-batch culture experiments of Alcaligenes eutrophus. The effects of various culture conditions such as mole ratio of carb…
Seeding of endothelial cells (ECs) on the luminal surface of small-diameter vascular grafts is a promising method to avoid occlusion of these prostheses. Immobilization of basic fibroblast growth factor (bFGF) to substrates used to coat or fill porous prostheses may enhance the formation of a confluent monolayer of EC…
Photochemical immobilization technology was utilized to covalently couple polymers to silicone rubber either at multiple points along a polymer backbone or at the endpoint of an amphiphilic chain. The coating variants then were tested in vitro and in vivo for improvement of desired responses compared to uncoated silic…
The perivascular implantation of tissue-engineered endothelial cells around injured arteries offers an opportunity to study fundamental vascular physiology as well as restore and improve tissue function. Cell source is an important issue because the ability to implant either xenogeneic or allogeneic cells would greatl…
It has generally been accepted that biomaterials adsorbing the least amount of the plasma protein fibrinogen following exposure to blood will support less platelet adhesion and therefore exhibit less thrombogenicity. Several studies suggest, however, that the conformation or orientation of immobilized fibrinogen rathe…
The role of localized $d$-bands in the dynamical response of Cu is investigated, on the basis of {\em ab initio} pseudopotential calculations. The density-response function is evaluated in both the random-phase approximation (RPA) and a time-dependent local-density functional approximation (TDLDA). Our results indicat…