Hydrothermal Synthesis of Mixed Oxide Compositions of Cobalt-Zirconium and their Catalytic Activity in the Decomposition of Hydrogen Peroxide

The article presents the results of research on the hydrothermal synthesis of nanoscale oxide of cobalt and zirconium and their mixed oxide compositions. The synthesized samples have been characterized by the X-ray phase, scanning electron microscopy and nitrogen adsorption-desorption methods; the composition of the samples has been determined by chemical analysis methods, and their catalytic activity in the decomposition of hydrogen peroxide has been studied. It has been shown that during synthesis, highly dispersed cobalt and zirconium oxide are formed, and the sample of the composition (mol %): Co₃O₄(88)−ZrO₂(12) has the highest specific surface area (181.2 m²/g) and the highest activity (K=6.18 ⋅ 10⁻² s⁻¹) against the decomposition of hydrogen peroxide. The increasing of the ZrO₂ content in oxide compositions reduces their catalytic activity. The particle size in the synthesized samples is 7–38 nm.     

Stable Carbenes as Structural Components of Partially Saturated Sulfur-Containing Heterocycles

Recently, an unusual elongation of the C-S bond was observed experimentally for some sulfur-containing heterocycles. Using a superior ab initio (SCS-MP2/cc-pVTZ) level of theory, we showed that the phenomenon can be explained by a contribution of a donor–acceptor adduct of a carbene with an unsaturated ligand. One may achieve further elongation of the C-S bond, eventually turning it to a coordinate one, by increasing the stability of each part of the system as, e.g., in the utmost case of spiro adducts with Arduengo carbenes. The effect of carbene stability was quantified by employing the isodesmic reactions of carbene exchange.     

Synthesis,Antibacterial and Antifungal Activity of New 3-Aryl-5H-pyrrolo[1,2-a]imidazole and 5H-Imidazo[1,2-a]azepine Quaternary Salts

A series of novel 3-aryl-5H-pyrrolo[1,2-a]imidazole and 5H-imidazo[1,2-a]azepine quaternary salts were synthesized in 58–85% yields via the reaction of 3-aryl-6, 7-dihydro-5H-pyrrolo[1,2-a]imidazoles or 3-aryl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepines and various alkylating reagents. All compounds were characterized by ¹H NMR, ¹³C NMR, and LC-MS. The conducted screening studies of the in vitro antimicrobial activity of the new quaternary salts derivatives established that 15 of the 18 newly synthesized compounds show antibacterial and antifungal activity. Synthesized 3-(3,4-dichlorohenyl)-1-[(4-phenoxyphenylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride 6c possessed a broad activity spectrum towards Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumannii, and Cryptococcus neoformans, with a high hemolytic activity against human red blood cells and cytotoxicity against HEK-293. However, compound 6c is characterized by a low in vivo toxicity in mice (LD₅₀ > 2000 mg/kg).     

Representation of a Monotone Curve by a Contour with Regular Change in Curvature

The problem of modelling a smooth contour with a regular change in curvature representing a monotone curve with specified accuracy is solved in this article. The contour was formed within the area of the possible location of a convex curve, which can interpolate a point series. The assumption that if a sequence of points can be interpolated by a monotone curve, then the reference curve on which these points have been assigned is monotone, provides the opportunity to implement the proposed approach to estimate the interpolation error of a point series of arbitrary configuration. The proposed methods for forming a convex regular contour by arcs of ellipses and B-spline ensure the interpolation of any point series in parts that can be interpolated by a monotone curve. At the same time, the deflection of the contour from the boundaries of the area of the possible location of the monotone curve can be controlled. The possibilities of the developed methods are tested while solving problems of the interpolation of a point series belonging to monotone curves. The problems are solved in the CAD system of SolidWorks with the use of software application created based on the methods developed in the research work.     

Interpolation with Specified Error of a Point Series Belonging to a Monotone Curve

The paper addresses the problem of modeling a smooth contour interpolating a point series belonging to a curve containing no special points, which represents the original curve with specified accuracy. The contour is formed within the area of possible location of the parts of the interpolated curve along which the curvature values are monotonously increased or decreased. The absolute interpolation error of the point series is estimated by the width of the area of possible location of the curve. As a result of assigning each intermediate point, the location of two new sections of the curve that lie within the area of the corresponding output section is obtained. When the interpolation error becomes less than the given value, the area of location of the curve is considered to be formed, and the resulting point series is interpolated by a contour that lies within the area. The possibility to shape the contours with arcs of circles specified by characteristics is investigated.