Finitely convergent deterministic and stochastic iterative methods for solving convex feasibility problems

We propose finitely convergent methods for solving convex feasibility problems defined over a possibly infinite pool of constraints. Following other works in this area, we assume that the interior of the solution set is nonempty and that certain overrelaxation parameters form a divergent series. We combine our methods with a very general class of deterministic control sequences where, roughly speaking, we require that sooner or later we encounter a violated constraint if one exists. This requirement is satisfied, in particular, by the cyclic, repetitive and remotest set controls. Moreover, it is almost surely satisfied for random controls.

     

Differentiation of fluoronitroaniline isomers by negative-ion electrospray mass spectrometry

Tetra- and trifluoronitroanilines were studied by electrospray ionization mass spectrometry. These compounds gave signals only in the negative-ion mode. It was found that the so-called 'in-source' fragmentation, induced by cone voltage increase, enables differentiation of isomers. For para-nitroanilines, in contrast to ortho derivatives, the loss of NO(2) was the most favored process and other fragment ions were characterized by low abundances. For trifluoro conjugates the substitution pattern of aromatic ring by fluorine atoms also affected their fragmentation patterns. For example, in 2,3,6-trifluoro-4-nitroaniline, in contrast to 2,3,5-trifluoro-4-nitroaniline, efficient NO loss, followed by HF loss, took place.     

Convergence properties of dynamic string-averaging projection methods in the presence of perturbations

Assuming that the absence of perturbations guarantees weak or strong convergence to a common fixed point, we study the behavior of perturbed products of an infinite family of nonexpansive operators. Our main result indicates that the convergence rate of unperturbed products is essentially preserved in the presence of perturbations. This, in particular, applies to the linear convergence rate of dynamic string-averaging projection methods, which we establish here as well. Moreover, we show how this result can be applied to the superiorization methodology.     

Multinuclear magnetic resonance studies of fluoronitroanilines

Ten fluoronitroanilines have been synthesized and the ¹H, ¹³C, ¹⁵N and, ¹⁹F NMR spectra of these compounds have been recorded and fully assigned. Density functional theory(DFT) calculations have been performed for all compounds studied. Experimental and theoretical results are compared and the structure and atom character influence on the accuracy of the calculation discussed. Copyright © 2009 John Wiley & Sons, Ltd.     

Multinuclear magnetic resonance studies of 2‐aryl‐1,3,4‐thiadiazoles

The ¹H, ¹³C and ¹⁵N spectra of aryl‐substituted 1,3,4‐thiadiazoles were recorded. The results obtained were correlated with Hammett coefficients. The experimental results were compared with DFT‐calculated chemical shifts. The results obtained were compared with those for 1,3,4‐oxadiazoles and 1,3,4‐selenadiazoles. Copyright © 2012 John Wiley & Sons, Ltd.     

Anomalously Large Pockels Effect in ZnO‐F Single Crystalline Films Deposited on Bare Glass

Large linear electrooptics (the Pockels effect) of up to 17 pm/V for the wavelength 435 nm has been observed in ZnO films doped by fluorine and deposited on bare glass. In order to describe the phenomenon observed, a complex approach, including self‐consistent band structure calculations together with the appropriate molecular dynamics simulations of the interfaces, was applied. The origin of the effect observed is linked to substantial charge density non‐centrosymmetry between the wurtzitelike crystalline films and the bare glass substrate, as well as to additional charge density polarisation caused by the fluorine.     

Synthesis of new dendritic antenna-like polypyridine ligands

An efficient synthesis of multidentate polypyridine ligands, 3,5-bis(2,2??-bipyridin-4-ylethynyl)benzoic acid and 3,5-bis(2,5-bis(2-pyridyl)-pyridin-4-ylethynyl)benzoic acid, with potential application in the production of ruthenium dyes for dye-sensitised solar cells was developed. Isolation of intermediate products and final compounds is simple and the yields are very high. The ligands obtained can be used in the synthesis of dendritic analogues of well known and very efficient N3 dye and ??black dye??.