Materials Literature
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The use of ultra-thin, i.e., monolayer films plays an important role for the emerging field of nano-fluidics. Since the dynamics of such films is governed by the interplay between substrate-fluid and fluid-fluid interactions, the transport of matter in nanoscale devices may be eventually efficiently controlled by subs…
The expanding field of tissue engineering has required the necessity of developing biomaterials that are tissue compatible, biodegradable, and comparable in mechanical properties to that of native tissue. We propose that the blending of two natural polymers, silk fibroin (SF) and chitosan (CS), into a 3D scaffold will…
The magnetic and magnetotransport properties of the oxygen deficient perovskites, $\mathrm{Sr}{\mathrm{Co}}_{1\ensuremath{-}x}{M}_{x}{\mathrm{O}}_{3\ensuremath{-}\ensuremath{\delta}}$ with $M=\mathrm{Nb}$ and Ru, were investigated. Both Nb- and Ru-substituted cobaltites are weak ferromagnets, with transition temperatu…
Recent works dealt with the optical transmission on arrays of subwavelength holes perforated in a thick metallic film. We have performed simulations which quantitatively agree with experimental results and which unambiguously evidence that the extraordinary transmission is due to the excitation of a surface-plasmon-po…
The quantum excitations in glasses have long presented a set of puzzles for condensed matter physicists. A common view is that they are largely disordered analogs of elementary excitations in crystals, supplemented by two level systems which are chemically local entities coming from disorder. A radical revision of thi…
A conversion from ohmic to rectifying behavior is observed for Au contacts on atomically ordered polar ZnO surfaces following remote, room-temperature oxygen plasma treatment. This transition is accompanied by reduction of the “green” deep level cathodoluminescence emission, suppression of the hydrogen donor-bound exc…
The WWW servers at http://www.icgeb.org/protein/ are dedicated to the analysis of protein 3D structures submitted by the users as the Protein Data Bank (PDB) files. CX computes an atomic protrusion index that makes it possible to highlight the protruding atoms within a protein 3D structure. DPX calculates a depth inde…
The identification of evolutionarily conserved features of protein structures can provide insights into their functional and structural properties. Three methods have been developed and implemented as WWW tools, CAMPO, SCR_FIND and CHC_FIND, to analyze evolutionarily conserved residues (ECRs), structurally conserved r…
We present a set of programs and a website designed to facilitate protein structure comparison and protein structure modeling efforts. Our protein structure analysis and comparison services use the LGA (local-global alignment) program to search for regions of local similarity and to evaluate the level of structural si…
Two occupied native defect bands are detected in pure HfO2, with one located in the middle of the band gap and the other slightly above the valence band maximum. The investigation on the electronic structures of hafnium aluminate thin films as a function of Al concentration discloses the evolution of such bands while…
The structures and intermolecular interaction energies of 10 dimers, included in the mesogenic core structures of typical liquid crystalline (LC) compounds, are obtained at the MP2/6-31G(d) level of theory. It is proved that the dispersion energy significantly contributes to the total interaction energy of these dimer…
A unique domain structure was found in liquid−liquid phase separation induced by radical polymerization of 4-chlorostyrene monomer in the presence of random copolymer poly(dimethylsiloxane- co -diphenylsiloxane). Over a wide range of temperature and initial monomer composition, poly(4-chlorostyrene)-rich droplets with…
The initial adhesion of four Debaryomyces hansenii strains to a solid agarose surface was investigated and correlated with their cell size and some cell surface physicochemical properties, i.e. (i) hydrophobicity and (ii) electron donor/acceptor ability. One strain adhered very poorly, whereas the three other strains…
We report the first structures of simple acetate complexes of vanadium(III) formed in aqueous solution. Paramagnetic (1)H NMR spectroscopy titration experiments indicate the formation of two major V(III)/acetate complexes in acidic aqueous solution for acetate/V(III) < or =4, pD 3.50. A novel tetranuclear cluster and…
The formation conditions, morphology, and reactivity of thin oxide films, grown on a Rh(110) surface in the ambient of atomic or molecular oxygen, have been studied by means of laterally resolved core level spectroscopy, scanning tunneling microscopy and low energy electron diffraction. Exposures of Rh(110) to atomic…
The thermodesorption spectra of hydrogen from coprecipitated catalysts (70-x)NiO-xMgO-30Al(2)O(3) (x = 0-50%(wt)) are reported. The catalysts were calcined at 400 degrees C and reduced with H(2) at 20-800 degrees C and for 3 h at 800 degrees C. NiO reduction degree was between 49.3 and 92.1%. The active surface areas…
This report describes the first demonstration of slow-onset feedback inhibition of an enzyme that catalyzes the first committed step in a biosynthetic pathway. alpha-Isopropylmalate synthase (IPMS) catalyzes the first committed step of the l-leucine biosynthetic pathway and is feedback-inhibited by l-leucine. Initial…
Abstract The synthesis and size control of Pt nanocubes stabilized by polyacrylic acid sodium salt (PAA) were carried out by varying the reaction temperature and the growth rate between the {111} and {100} faces with the addition of NaI; the shape selectivity was about 70–80% and the cubic size was controllable betwee…
A soda lime silica glass with the basic composition 74SiO 2 ·16Na 2 O·10CaO doped with MnO and Cr 2 O 3 was studied by high-temperature UV−vis−NIR spectroscopy. The measurements were carried out at temperatures in the range from 25 to 800 °C. The spectra were deconvoluted especially with respect to the absorption peak…
The reliability of various quantum-chemical approaches for the calculation of bulk properties of lithium tetraborate Li(2)B(4)O(7) was examined. Lattice parameters and the electronic structure obtained with density-functional theory (DFT), with DFT-Hartree-Fock (HF) hybrid methods, and with the semiempirical method MS…