Materials Literature
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The binding isotherm to cellulose of cellobiose dehydrogenase (CDH) from Phanerochaete chrysosporium has been compared with that of cellobiohydrolase 1 (CBH 1) from Trichoderma reesei. CDH binds more strongly but more sparsely to cellulose than does CBH 1. In a classical Scatchard analysis, a better fit to a one-site…
The most important reactive groups in collagen are amino, amido, guanidino, and carboxyl, all of which are present in comparatively large numbers. It is possible to modify amide groups present in the collagen of achilles tendons and hide trimmings by desamidation (DAM). DAM causes progressive hydrolysis of the amide g…
Theoretical interpretation of the thermally stimulated conductivity (TSC) is suggested for the temperatures at which transport is via hopping of carriers through localized bandtail states. The description is not based on specific assumptions used in the most of the previous TSC theories, such as, e.g., neglect of the…
In our present study, the origin of the increase in resistivity of polycrystalline Mn0.47Zn0.47Fe2.06O4 with increasing oxygen partial pressure was investigated by measuring thermoelectric power and electrical resistivity, and through analysis of grain size. The ferrous ion (Fe2+) concentration of the samples was esti…
The relaxation modes and rates of a single polymer chain are studied by Monte Carlo simulations of the bond fluctuation model. On the basis of the method proposed by Takano and Miyashita [J. Phys. Soc. Jpn. 64 (1995) 3688], the approximate relaxation modes and rates are obtained by solving a generalized eigenvalue pro…
We present temperature-dependent V-2p and O-1s x-ray-absorption spectra of ${\mathrm{LiVO}}_{2}$. The aim of this study is to monitor changes in electronic structure on going through the phase transition. The spectral changes turn out to be very small: the V-3d--O-2p hybridization does not change considerably, and the…
Rietveld refinement of X-ray powder data measured for CuCr2O4 [copper(II) dichromium(III) tetraoxide] and CuRh2O4 [copper(II) dirhodium(III) tetraoxide] indicates that their structures at room temperature are centrosymmetric, I41/amd, rather than as previously reported, noncentrosymmetric I-42 d. Trial refinement in I…
First-principles calculations on the geometry and stability of ${\mathrm{Al}}_{\mathrm{n}}$${\mathrm{B}}_{\mathrm{m}}$ clusters have been carried out to examine the effect of size, composition, and electronic-shell filling on their relative stability. It is shown that although Al and B are both trivalent, a ${\mathrm{…
We have studied thermal conductivity, thermopower, and resistivity of bulk polycrystalline ${\mathrm{La}}_{0.8}$${\mathrm{Ca}}_{0.2}$${\mathrm{MnO}}_{3}$. Large changes in the magnetothermal conductivity of about 15% and the thermopower as large as 80% were found in addition to a large magnetoresistivity of 80% around…
Using extraordinarily low pressure (0.1--1 Torr) we obtained high-density nucleation of diamond on mirror-polished silicon in a hot-filament chemical vapor deposition (HF-CVD) system. A diamond nuclei density as high as ${10}^{10}$--${10}^{11}$ ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}2}$ was achieved, which was compara…
The optical and electrical properties of the lead bearing glasses in the PbO-TiO2, PbO-TeO2, and PbO-CdO systems have been investigated. The density, refractive index, optical band-gap, and Urbach energies of these glasses are reported. It is shown that the additive nature of oxide ion polarizabilities reported for th…
We present a joint experimental and theoretical investigation of the linear and nonlinear optical response of butadiyne-linked zinc porphyrin oligomers. Efficient overlap between the chromophores leads to a large red-shift of the Q absorption band together with a splitting of the B band into two components when increa…
We study a system composed of two thin crossed lamellar gratings, with lamellae composed of a Drude metal. We show that such a system can yield striking behavior for wavelengths of electromagnetic radiation much longer than the grating period, with reflectance, transmittance, and absorptance being independent of wavel…
The title compound, dicaesium gold(I) gold(III) hexaiodide, has a distorted perovskite structure. The crystal contains compressed and elongated [AuI6] octahedra, which are stacked alternately along the [001] and [110] directions by sharing all the corner I atoms. The compound is also characterized by the assembly of t…
Monte Carlo simulations of mesogenic polymers have been performed for single and binary systems in the bulk and for pure components in constrained environments. An expanded ensemble formalism was employed to facilitate fluctuations of the number of particles in grand canonical, Gibbs, and pseudo-Gibbs ensemble simulat…
The study of dc and microwave (140 GHz) electrical conductivities using multifrequency electron-spin resonance in undoped and HCl-doped polyaniline is reported. The accidental quasi-three-dimensional (3D) charge hopping between the pinned and mobile small polarons dominates the bulk conductivity of the emeraldine base…
The temperature dependence of the dielectric constant and dissipation in potassium dihydrogen phosphate (KDP), its deuterated compound (DKDP), triglycine sulfate (TGS), and TGS doped with \ensuremath{\alpha}-alanine (LATGS) has been studied at various frequencies. It is found that the relaxation time of domain freezin…
Reflectivity spectra of ${\mathrm{CaMnO}}_{3}$ and ${\mathrm{LaMnO}}_{3}$ were measured in a wide photon energy region between 5 meV and 30 eV at room temperature. Using the conductivity spectra obtained from the Kramers-Kronig analysis, electronic structures of the manganese oxides were investigated. In particular, t…
We have performed plane-wave pseudopotential density-functional theory calculations on the stoichiometric and reduced ${\mathrm{TiO}}_{2}$ (110) surface, the 2\ifmmode\times\else\texttimes\fi{}1 and 1\ifmmode\times\else\texttimes\fi{}2 reconstructions of the surface formed by the removal of bridging-oxygen atoms, and…
The Kernel polynomial method (KPM) has been successfully applied to tight-binding electronic-structure calculations as an O(N) method. Here we extend this method to nonorthogonal basis sets with a sparse overlap matrix S and a sparse Hamiltonian H. Since the KPM method utilizes matrix vector multiplications it is nece…