Materials Literature
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New lanthanide−transition metal (Ln–M) carbonyl compounds were prepared and the structural relationships of the metal combinations were discerned. Numerous compounds derived from combinations of divalent lanthanides with transition metal carbonyls in groups 7–9 were isolated. Three different types of interactions were…
We study the switching dynamics in two-domain and four-domain twisted nematic liquid-crystal devices. The equilibrium configuration of these devices involves the coexistence of regions characterised by different handedness of the inherent director twist. At the boundaries between these regions there are typically disc…
Chemical conjugation of bisphosphonates (BPs) to proteins is an effective means to enhance binding of proteins to mineral-containing biomaterials. BPs linked to proteins with reversible (i.e., cleavable) linkages were considered desirable over the conjugates linked with stable linkages because cleavable linkages allow…
The magnetic structure of the compound $\mathrm{Tb}{\mathrm{Co}}_{3}{\mathrm{B}}_{2}$ has been studied in the temperature range $1.5\phantom{\rule{0.3em}{0ex}}\mathrm{K}\ensuremath{\leqslant}T\ensuremath{\leqslant}300\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ by means of neutron powder diffraction, magnetization, magnetic…
A hybrid density-functional-theory and molecular-dynamics simulation scheme was proposed [Ogata et al., Comput. Phys. Commun. 149, 30 (2002)] in which a total atomistic system is partitioned, in real space, into the quantum (QM) region whose electronic structure is calculated with the density-functional theory and the…
Abstract Studies were performed on the nature and magnitude of the variabilities in the rheological and processing properties of purified natural rubber (PNR). PNR samples were prepared from three clones of NR (RRIM 600, GT 1, and KRS 156). The corresponding whole NR (WNR) containing total nonrubber substances was als…
Abstract The relationship between the draw‐down ratio in the dry spinning process of ultrahigh molecular weight polyethylene/decalin solution and the fiber performance through maximized after‐drawing was investigated. The structural development during the after‐drawing process was analyzed by scanning electron microsc…
Fibrin plays a major role in blood clotting and is important in wound healing. In the present study, physiologically clotted fibrin (PF) and calcined bone (CB) both of bovine origin were used in the preparation of a bone graft material with chitosan (C) as a binder. This bone graft (PF-CB) was characterized by stress-…
Atomic force microscopy (AFM) was used to study the formation and growth of poly[(R)-3-hydroxybutyrate] (PHB) structures formed in the enzymatic polymerization of (R)-3-hydroxybutyryl coenzyme A [(R)-3-HBCoA] in vitro. Poly(3-hydroxyalkanoate) (PHA) synthase (PhaC(Re)) from Ralstonia eutropha, a class I synthase, was…
Mg- and Sn-doped In2O3 (MgIn(x)Sn(y)O(z), 6.0 < x < 16.0; 3.0 < y < 8.0) thin films were grown by low-pressure metal-organic chemical vapor deposition using the volatile metal-organic precursors tris(2,2,6,6-tetramethyl-3,5-heptanedionato)indium(III) [In(dpm)3], bis(2,4-pentanedionato)tin(II) [Sn(acac)2], and bis(2,2,…
Although glasses are disordered and complex systems, we show that important characteristics of the glass transition, such as a negative measured specific heat in the transition region, can be understood using a simple model of thermally activated hopping in a two-level system. The dynamics of the heating of a nonequil…
Abstract Jute fabric was coated with natural rubber to develop double‐texture rubberized waterproof fabric and fabric‐reinforced rubber sheeting for hospitals. The vulcanization of such natural‐rubber‐coated flexible composites at 120°C for 3 h produced optimum effects. The jute/natural‐rubber composite was much super…
Atomistic density functional theory (DFT) calculations of the capacitance between a metallic cylindric gate and a carbon nanotube (CNT) are reported. We find that the quantum capacitance of the CNT becomes negative as the CNT carrier density is reduced. This corresponds to an unconventionally high charge accumulation…
We demonstrate a hydrostatic pressure-induced structure transition of an isolated double-walled carbon nanotube using constant pressure molecular dynamics simulations. We find that, during the transition, the tube cross section is changed from circular to elliptical shape, associated with large reduction of radial bul…
The dynamics of NO(x) species adsorbed on BaO(100) have been investigated with ab initio molecular dynamics simulations at a temperature of 300 degrees C. Nitrites are found to continuously interconvert between different adsorption configurations. For both nitrites and nitrates, diffusion events between anion sites ar…
Abstract We present a simple density theory based on first principles that predicts the shielding effectiveness of composite matrix materials at filler loadings near or above the percolation threshold. Such a model has practical applications in electromagnetic interference and radio frequency interference, and is vali…
The partitioning of a diblock copolymer (AB) and a triblock copolymer (ABA and BAB) into a pore, at a condition similar to that employed in the experimental liquid chromatography at the critical condition (LCCC), was investigated by lattice Monte Carlo simulations with self-avoiding-walk chains. The B block is set at…
Electrostatic-force-driven self-assembling behavior of gelatin polypeptides has been investigated through the predominantly seeded-aggregation growth of denatured gelatin molecules on citrate-stabilized gold nanoparticles (see Figure). The resulting self-assembled gelatin aggregates have been used as soft templates to…
We use magnetism and specific heat measurements to investigate the hexagonal Mn-rich YMnO3. It is found that upon cooling from a high temperature, the compound first orders antiferromagnetically at TN∼72K and then undergoes a re-entrant spin glass (RSG) transition at TSG∼42K. This RSG behavior results from the competi…
Abstract This review outlines recent advances in the area of supramolecular photochemistry, particularly with respect to the use of noncovalent interactions to direct and control excited‐state processes in the solid phase and in solution. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)