Hydrogen diffusion on (100), (111), (110) and (211) gold faces

Calculations showed that hydrogen adsorption into subsurface sites is most likely to occur on Au (110) and (211) faces. The presence of low-coordinated Au atoms on significantly reduces the barrier of subsurface adsorption of H. The barriers of H surface diffusion increase in the following Au series: (110) < (111) < (100) < (211). An analysis of the dependence of the surface diffusion barriers on the electronic structure of gold atoms on the respective faces revealed a U-shaped dependence of the centers of the s- and d-bands. This dependence is the result of the filling of the s- and d-bands on different faces of the gold. The results obtained suggest that it is possible to use band centers to determine surface diffusion barriers.     

Hypokinetic stress and neuronal porosome complex in the rat brain: the electron microscopic study

Porosomes are the universal secretory machinery in cells, where membrane-bound secretory vesicles transiently dock and fuse to release intravesicular contents to the outside of the cell during cell secretion. Studies using atomic force microscopy, electron microscopy, electron density and 3D contour mapping, provided rich nanoscale information on the structure and assembly of proteins within the neuronal porosome complex in normal brain. However it remains uncertain whether pathological conditions that alter process of neurotransmission, provoke alterations in the porosome structure also. To determine if porosomes are altered in disease states, the current study was undertaken for first time using high resolution electron microscope. One of pathologies that produce subtle alteration at the presynaptic terminals has been demonstrated to be hypokinetic stress. The central nucleus of amygdale is the brain region, where such alterations are mostly expressed. We have examined the width and depth of the neuronal porosome complex and their alterations provoked by chronic hypokinetic stress in above mentioned limbic region. Specifically, we have demonstrated that despite alterations in the presynaptic terminals and synaptic transmission provoked by this pathological condition in this region, the final step/structure in neurosecretion--the porosome--remains unaffected: the morphometric analysis of the depth and diameter of this cup-shaped structure at the presynaptic membrane point out to the heterogeneity of porosome dimensions, but with unchanged fluctuation in norm and pathology.     

Carbon nanocones/discs – a new type of filler to improve the thermal and mechanical properties of polymer films

The mechanical characteristics and thermal properties of composite films based on the thermally stable aromatic polyimide (PI) (PMDA‐ODA) and carbon nanocones/discs (CNC) were studied. The introduction of CNC to PMDA‐ODA leads to the substantial increase of film stiffness. The Young's modulus values of the composite films are somewhat higher than those of the previously characterized composite films of this PI filled with nanoclay, carbon nanofibers, and asbestos‐like hydrosilicate nanotubes. The introduction of CNC into PMDA‐ODA (concentrations of CNC were up to 15 vol%) does not cause any marked aggregation of nanoparticles. The presence of CNC in the PI matrix does not affect the glass transition temperature of the polymer but hinders chain mobility at temperatures above T_g. This behavior makes it possible to increase the working temperature range of the composite films containing more than 5 vol% of CNCs, up to the temperature of thermal decomposition. The introduction of CNC into PMDA‐ODA leads to dramatic (～12 orders of magnitude) increase of active electrical conductivity of the material. Copyright © 2011 John Wiley & Sons, Ltd.     

Silver intercalation in PbS1.18(TiS2)n, n=1, 2, misfit layer compounds

The reaction between metallic Ag and PbS_1.18(TiS₂)_n, n=1, 2, misfit layer compounds has been investigated by electrochemical technique, X-ray powder analysis and transmission electron microscopy. It was found that silver intercalation is possible only in the compound with n=2. The thermodynamic behavior and location of phase boundaries were studied in the temperature range 400–650 K. DC-conductivity and magnetic-susceptibility measurements were performed, and the data can be interpreted as an appearance of small polarons during silver insertion.     

Synthesis of phosphinic and phosphonic analogs of homoserine

A convenient procedure for the synthesis of 1-amino-3-hydroxypropylphosphinic and -phosphonic acids (analogs of homoserine) was developed. The procedure involves the reaction of salts of phosphinic and phosphonic analogs of S-methylmethionine with AcONa/AcOH followed by hydrolysis.     

Amperometric detection of unithiol complexes of heavy metals in high-performance liquid chromatography

It was demonstrated that Pb(II), Cd(II), Hg(II), Ni(II), Co(II), and Cu(II) can be indirectly determined as their unithiol complexes by amperometric detection under static and HPLC conditions. Factors affecting the Chromatographic separation and amperometric detection of metal complexes of unithiol were studied. Two designs of flow electrochemical cells (thin-layer and wall-jet cells) and three electrode materials (platinum, graphite, and glassy carbon) were compared. The best sensitivity was attained for an amperometric detector with wall-jet flow cell and a graphite indicator electrode. The detection limits for Hg(II), Pb(II), and Cd(II) were 0.9, 0.3, and 0.1 μg/mL, respectively. The Chromatographic determination of heavy metals in a sample of waste water was carried out using the amperometric detector     

New Blood Coagulation Factor XIIa Inhibitors: Molecular Modeling,Synthesis, and Experimental Confirmation

In the modern world, complications caused by disorders in the blood coagulation system are found in almost all areas of medicine. Thus, the development of new, more advanced drugs that can prevent pathological conditions without disrupting normal hemostasis is an urgent task. The blood coagulation factor XIIa is one of the most promising therapeutic targets for the development of anticoagulants based on its inhibitors. The initial stage of drug development is directly related to computational methods of searching for a lead compound. In this study, docking followed by quantum chemical calculations was used to search for noncovalent low-molecular-weight factor XIIa inhibitors in a focused library of druglike compounds. As a result of the study, four low-molecular-weight compounds were experimentally confirmed as factor XIIa inhibitors. Selectivity testing revealed that two of the identified factor XIIa inhibitors were selective over the coagulation factors Xa and XIa.     

Extraction and Membrane Transport Properties of 8-(1-O,O-Diamylphosphoryl-3,5-dioxapentane)quinoline

Russian Journal of General Chemistry - The membrane transport properties of P,N-containing carrier, 8-(1-diamylphosphoryl-3,5-dioxapentane)quinoline, have been studied. The relationship between the...     

Weighted allocations,their concomitant-based estimators,and asymptotics

Annals of the Institute of Statistical Mathematics - Various members of the class of weighted insurance premiums and risk capital allocation rules have been researched from a number of...