Structural and electronic effects involving pyridine rings in 4-methylpyridine Cu4OX6L4 complexes. II. Correlations based on molecular structure of the Cu4OCl6(4-Mepy)4 complex

Correlations involving bond lengths and bond angles in the molecular structure of the Cu₄OCl₆(4-Mepy)₄ complex (4-Mepy = 4-methylpyridine) with four symmetrically independent molecules present in the unit cell showed that the donor-acceptor behavior involving the π-back donation into the pyridine rings of the 4-Mepy ligands is most effectively stimulated by a suitable orientation of the pyridine rings in the trigonal bipyramidal geometry. The pyridine ring planes are almost in parallel orientation with one of the three Cu-Cl bonds. The bond lengths of these Cu-Cl bonds are in a significant linear correlation with the Cu-N bond lengths and the bonds lengths of the pyridine rings. The pyridine rings orientation is affected by distortion of the trigonal bipyramidal geometry to tetragonal pyramidal coordination, by out-of plane pyridine rings deviation and in-plane pyridine rings tilting, by puckering of the pyridine rings and by the effects of the methyl groups. The pyridine rings in at least seven of the sixteen trigonal bipyramidal coordinations exhibit an orientation supporting the π-back bonding between the Cu(II) atoms and the pyridine rings.     

Liquid–liquid equilibria for {hexane + benzene + 1-ethyl-3-methylimidazolium ethylsulfate} at (298.2, 313.2 and 328.2) K

Liquid–liquid equilibria (LLE) for the ternary system {hexane + benzene + 1-ethyl-3-methylimidazolium ethylsulfate ([emim]C₂H₅SO₄)} have been measured at the temperatures (298.2, 313.2 and 328.2) K and atmospheric pressure. The reliability of the experimental data was tested using the Othmer–Tobias correlation. For the extractive effectiveness of the solvent, the distribution ratio and separation factor curves were plotted and compared with those of sulfolane. In addition, the LLE data were also correlated with UNIQUAC and NRTL models in a satisfactory manner.     

Proficiency testing schemes for the assessment of Legionella PCR methodologies

Standard operating procedures used for the detection of bacteria in environmental samples are primarily based on bacterial growth on specific culture media and confirmation by biochemical and/or immunological tests. In the case of Legionella, isolation on BCYE-?? medium is the standard method, although it presents a number of drawbacks, and for this reason, the implementation of molecular methods, mainly those based on PCR, has increased over the last years. Following the ISO/IEC 17025, laboratories need an external evaluation of their work to assure the quality of the results they are producing, and the participation in proficiency testing (PT) schemes is compulsory. For those water-testing laboratories using PCR methods for Legionella, we have developed a PT scheme accredited according to ISO/IEC 17043. The preparation and the statistical analysis of the results are performed following this standard and the ISO 13528. The used samples have a very rapid and easy to use format, consisting of tablets with inactivated freeze-dried Legionella cells or freeze-dried Legionella DNA. In this PT scheme, participants evaluate both Legionella pneumophila and Legionella spp. detection systems and control the whole PCR process from the water sample concentration until the PCR results.     

Homogeneity and local symmetry of complex (<Emphasis Type="Italic">κ</Emphasis>, µ)-spaces

We prove that a complex (κ, μ)-space with κ < 1 is a locally homogeneous complex contact metric manifold. Also, a complex (κ, μ)-space has either κ = 1 or is GH-locally symmetric.     

Theoretical assessment of the Ni–Sn system

Abstract  

A new theoretical assessment of the Ni–Sn system has been performed by use of the CALPHAD method. Recent experimental results were significantly different from older experimental data and, therefore, a new reassessment of older theoretical work was necessary. The theoretical models for some intermetallic phases were changed to make them consistent with other binary systems in the thermodynamic database developed in the scope of COST action MP0602. Very good agreement was reached both with new experimental phase equlibrium data and older thermodynamic data.     

Adsorption of the Cu<Superscript>2+</Superscript> ions from aqueous solutions on the active carbon oxidized with hydrogen peroxide and impregnated with nitrogen-containing compounds

Adsorption of the copper ions from aqueous solutions, benzene, and water on the active carbon obtained by chemical activation from walnut shells was studied. The active carbon was additionally oxidized with hydrogen peroxide and then impregnated with nitrogen-containing compounds. As a result of impregnation with melamine, a secondary porosity is formed within the oxidized active carbon, leading to an increase in the specific surface of the sorbent. A modified carbon surface is heterogeneous, and the carbons themselves exhibit catalytic activity in the oxidation of luminol and decomposition of hydrogen peroxide.     

New approaches in computational dynamics of the mixing flow

Between the most mature interdisciplinary areas, computational fluid dynamics (CFD) comes recently into focus. In the same time, it becomes more and more difficult to contribute fundamental research to it. However, although it remains unpredictable how CFD develops, it is part of what makes it an exciting and attractive discipline.This paper aims to exhibit some part of recent work in CFD. It concerns the qualitative approach of the turbulent behaviour of a mixing flow in an excitable media. Studying a mixing for a flow implies the analysis of successive stretching and folding phenomena for its particles, the influence of parameters and initial conditions. In the previous works, the study of the 3D non-periodic models exhibited a quite complicated behaviour. In agreement with experiments, there were involved some significant events, the so-called “rare events”. The variation of parameters had a great influence on the length and surface deformations. The experiments were realized with a special vortex installation, it was used a well-known aquatic algae as biologic material, and the water as basic fluid.In the paper there are presented some features of a qualitative comparative analysis of the model associated to the vortex flow technology. In the computational analysis there were used the fast analysis tools of MAPLE11 soft, in order to check the “rare events” and to complete the statistical analysis of the behaviour of the model.     

Theory and computation for multiple positive solutions of non-local problems at resonance

Resonance non-positone and non-isotone problems for first order differential systems subjected to non-local boundary conditions are reduced to the non-resonance positone and isotone case by changes of variables. This allows us to prove the existence of multiple positive solutions. The theory is illustrated by two examples for which three positive numerical solutions are obtained using the Mathematica shooting program.     

Variational Properties of the Solutions for Second-Order Differential Equations and Systems on Semi-Line

In this article, an abstract theory regarding variational properties of the fixed points of contractions and Perov contractions is applied to boundary value problems on semi-line for second-order differential equations and systems. The main result states that under suitable conditions the unique solution of such a system is a Nash-type equilibrium of the corresponding energy functionals.