Materials Literature
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The magnetic ordering of the normal spinel ferrimagnet NiCr 2 O 4 below T C = 74 K was reinvestigated by neutron scattering and magnetization measurements on a powder specimen. We found another magnetic transition at T S = 31 K besides T C in both experiments. The ordering of a ferrimagnetic (longitudinal) component a…
Very few standards exist for fitting products to people. Footwear is a noteworthy example. This study is an attempt to evaluate the quality of footwear fit using two-dimensional foot outlines. Twenty Hong Kong Chinese students participated in an experiment that involved three pairs of dress shoes and one pair of athle…
Type II fatty acid biosynthesis systems are essential for membrane formation in bacteria, making the constituent proteins of this pathway attractive targets for antibacterial drug discovery. The third step in the elongation cycle of the type II fatty acid biosynthesis is catalyzed by beta-hydroxyacyl-(acyl carrier pro…
The kinetics of crystalline ice nucleation and growth in nonporous, molecular beam deposited amorphous solid water (ASW) films are investigated at temperatures near 140 K. We implement an experimental methodology and corresponding model of crystallization kinetics to decouple growth from nucleation and quantify the te…
We have examined the performance of the analytic Hartree-Fock-Slater (HFS) method for various alpha (Slater's exchange parameter) values and empiricaly determined the optimal alpha value by minimizing the mean absolute error (MAE) in atomization energies of the G2 set of molecules. At the optimal alpha the HFS method'…
The poly(amidoamine) dendrimers having terminal isobutyramide (IBAM) groups were prepared by the reaction of isobutyric acid and the amine-terminated poly(amidoamine) dendrimers with generations (G) of 2 to 5 by using a condensing agent, 1,3-dicyclohexylcarbodiimide. 1H and 13C NMR revealed that an IBAM group was atta…
About thirty high-field magnetoresistance Stereographic Maps have been measured for metals between Fifties and Seventies but no way was known till now to compare these complex experimental data with first-principles computations. We present here the method we developed to generate Stereographic Maps directly from a me…
Solid mercury in the rhombohedral structure is unbound within the self-consistent field (Hartree-Fock) approximation. The metallic binding is entirely due to electronic correlations. We determine the cohesive energy of solid mercury within an ab-initio many-body expansion for the correlation part. Electronic correlati…
A many-body expansion for mercury clusters of the form E = \sum_{i
Annealing can increase the Curie temperature and net magnetization in uncapped (Ga,Mn)As films, effects that are suppressed when the films are capped with GaAs. Previous polarized neutron reflectometry (PNR) studies of uncapped (Ga,Mn)As revealed a pronounced magnetization gradient that was reduced after annealing. We…
The nature of the bonding in Li$_3$AlH$_6$ has been re-examined with additional analyses using density-functional calculations. From partial density of states, charge density distribution, charge transfer, electron localization function, crystal orbital Hamilton population and Mulliken population analyses it is conclu…
We present here generalization of the recursion method of Haydock et al [1] for the calculation of Green matrices (in angular momentum space). Earlier approaches concentrated on the diagonal elements, since the focus was on spectral densities. However, calculations of configuration averaged response functions or neutr…
Magnetic luminescent nanocomposites were prepared via a layer-by-layer (LbL) assembly approach. The Fe 3 O 4 magnetic nanoparticles of 8.5 nm were used as a template for the deposition of the CdTe quantum dots (QDs)/polyelectrolyte (PE) multilayers. The number of polyelectrolyte multilayers separating the nanoparticle…
Abstract The methods for multiphase stability determination are generally based on Gibbs free energy minimization. However, a novel and efficient method is proposed in this work for one‐, two‐, and particularly three‐liquid‐phase stability identification in ternary mixtures. The method is designated the extended gener…
Biochemical, luminescence and mass spectroscopy approaches indicate that Trp-151 (helix V) plays an important role in hydrophobic stacking with the galactopyranosyl ring of substrate and that Glu-269 (helix VIII) is essential for substrate affinity and specificity. The x-ray structure of the lactose permease (LacY) wi…
A new ferrimagnetic oxide of stoichiometry YFeMnO 5 has been prepared in polycrystalline form by wet-chemistry procedures followed by thermal treatments under high oxygen pressure conditions. This material has been characterized by X-ray and neutron powder diffraction (NPD), magnetotransport, specific heat, and magnet…
The effects of heat treatment temperature, HTT, on the tensile strength (u) of PAN-based carbon-fiber-reinforced carbon matrix composites (C–Cs) were examined. In order to understand the mechanisms yielding variation of the tensile strength, the distribution of fiber strength and the interfacial strength between the f…
A number of AraC family transcriptional activators bind low-molecular-weight ligands that modulate the activity of these proteins. Recently, it has become clear that the activity of several virulence-related AraC family members is regulated through the direct interaction of protein ligands. These interactions, in gene…
Three new heterospin complexes derived from trans-oxamido-bridged copper(II) binuclear units [Cu(2)(oxen), oxen = N,N-bis(2-aminoethyl)oxamide] and pyridine-substituted nitronyl nitroxides (o-, m-, and p-PYNN) were synthesized and characterized structurally and magnetically. Complexes 1 and 2 are four-spin complexes.…
The melting behavior of nanostructured organic materials (drugs) embedded into a cross-linked polymeric matrix was studied for the first time. The complex microstructure of these nanocomposites, yielded by the polymer matrix in which molecular clusters and nanocrystals of drug plus a cospiquous fraction of water are c…