Ab initio study of oxygen point defects on tungsten trioxide surface

The gas response of tungsten trioxide (WO3) based sensors strongly depends on the surface properties. Reconstructed surfaces and oxygen point defects at the surface of the monoclinic WO3 are studied using a self-consistent scheme based on first-principle. The oxygen vacancy is found to be the predominant defect independently of the oxygen partial pressure. Indeed, under rich oxygen atmosphere the formation enthalpies are found to be 1.45 eV in LDA (1.28 eV in GGA) for the oxygen vacancy instead of 2.70 eV (2.42 eV) for the oxygen adatom. When the oxygen partial pressure is lowered, the oxygen vacancy formation enthalpy decreases and becomes exothermic under very O-poor condition (? 1.65 eV in LDA and ? 1.36 eV in GGA). On the other hand, the formation enthalpy of an oxygen adatom rises. Finally, the oxygen vacancy formation acts as a n-doping by introducing negative charge carriers at the bottom of the conduction band. All these results can be very helpful in order to explain the electrical resistivity measurements.     

A Carbon-13 NMR Assignment Study of Certain 6-Substituted Dibenz [c,e] Azepine 5, 7-Dione

The natural abundance carbon-13 nuclear magnetic resonance spectra of diphenic acid and some 6-substituted dibenz [c,e] azepine, 5, 7-dione - which can be considered also as N-substituted diphenimide - were recorded using Fourier transform technique. The chemical shifts of various carbon resonance have been assigned on the basis of chemical shift theory, the signal multiplicity observed in the single frequency off-resonance decoupled (SFORD) spectra and comparison with the chemical shifts of the model compounds.     

Sorption of Europium (III), Cobalt (II) and Cesium (I) by Fresh Water Sediment Fractions Part 2: Effect of Some Environmental Ligands

The sorption behaviour of the radiotracers Eu⁹⁺, Co²⁺ and Cs⁺ by the sediment fractions: sand, coars silt, fine silt and clay was investigated from aqueous solutions containing the complexing agents; humic acid, sodium phosphate or disodium EDTA. The effect of ligand concentration on the sorption of these elements by the sediment fractions was elucidated at varying pH values. The results obtained are interpreted in the light of the complex formation between the ligand and the metal cations beside the interaction between the ligand and the respective sediment fraction investigated.     

Generalized Windowed transforms on Chébli-Trimèche hypergroups

We study in this paper three generalized windowed transforms on Chébli-Trimèche hypergroups, we prove for them Plancherel and inversion formulas and we characterize the image of two of them.     

SFT-stability and Krull dimension in power series rings over an almost pseudo-valuation domain

Let \(R\) be an APVD with maximal ideal \(M\) . We show that the power series ring \(R[[x_1,\ldots ,x_n]]\) is an SFT-ring if and only if the integral closure of \(R\) is an SFT-ring if and only if ( \(R\) is an SFT-ring and \(M\) is a Noether strongly primary ideal of \((M:M)\) ). We deduce that if \(R\) is an \(m\) -dimensional APVD that is a residually *-domain, then dim \(R[[x_1,\ldots ,x_n]]\,=\,nm+1\) or \(nm+n\) .     

Synthesis and antimicrobial activities of some newly 2,4,6-tri-substituted pyridine derivatives

A series of novel 2-(2-(substituted benzylidene)hydrazinyl)-N′-(substituted benzylidene)-6-chloropyridine-4-carbohydrazide (5a–e), 2-(2-cycloalkylidenehydrazinyl)-6-chloro-N’-cyclo-alkylidenepyridine-4-carbohydrazide (6a,b), 2-(2-(1-(4-substituted phenyl)ethylidene)hydrazinyl)-6-chloro-N′-(1-(4-substituted phenyl)ethylidene)pyridine-4-carbohydrazide (7a,b) and 2-(2-(1-(pyridinyl)ethylidene)hydrazinyl)-6-chloro-N′-(1-(pyridinyl) ethylidene)pyridine-4-carbo-hydrazide (8a–c) derivatives have been synthesized by treating treating 2-chloro-6-hydrazinoisonicotinic acid hydrazide 4 with selected active reagents. Their structures were confirmed by spectral and analytical data. The synthesized compounds were investigated for antimicrobial activities. The antimicrobial screening showed that many of these obtained compounds have good activities comparable to Streptomycin and Fusidic acid as reference drugs.     

Determination of gold(III) alone or in some mixtures and alloys by potentiometric titration of iodide

The present work is an application of iodide to the reduction of gold(III), in an attempt to develop new method for gold(III) based on potentiometric back-titration of the excess of iodide with mercury(II). Although it was proved by calculation that the reduction of tetrachloroaurate to the metal should proceed quantitatively to completion, yet our experiments showed that the reduction under ordinary conditions, gave Au(I) in the form of a white precipitate of AuI. We succeeded to push the reduction with iodide to the metal by an excess of ethanol-ether catalyzed iodide at somewhat elevated temperature.With the experimental conditions established a reliable procedure have been developed involving a potentiometric finish which enabled accurate determination of gold(III), either alone or in some of its alloys.     

Studies on halogen derivatives of phenylazochromotropic acid: I. The acid-base properties

The acid-base properties of six halogen derivatives of phenylazochromotropic acid have been studied in an attempt to apply them as metallochromic or chromophoric indicators. The absorption spectra are studied in buffer solutions of varying pH values. The variation of spectra with pH indicates the presence of two equilibria between H₂D^2?, HD^3? and D^4? species. The pK values of the naphthlenic OH groups are determined spectrophotometrically and are discussed in relation to molecular structure while those of the sulfonic acid groups are determined potentiometrically.     

Measurement of high chain extensions in polyethylene by gel permeation chromatography

Chain extensions above 1000 Å have been measured in two independent ways for various linear polyethylenes which had either been annealed in or crystallized into the high-pressure hexagonal phase. The distributions of fold-stem lengths measured from fracture-surface statistics and by gel permeation chromatography (GPC) molecular weight analysis of nitrated polymer agree reasonably well both in shape and position. Thinner lamellas, contributing to separate low melting peaks are, however, generally not recorded in fracture surfaces. The best agreement between the two measures, in their averages and overall distributions, is when the GPC weight distribution is compared with the number fracture-surface histogram. This is explicable in terms of the details of nitration.