Synthesis,spectroscopic characterization,crystal structure,density functional theory studies and biological properties of coordination complex Ni(II) 2-fluorobenzoate with 3-hydroxypyridine

A novel Ni(II) complex containing 2-fluorobenzoate and 3-hydroxypyridine ligands was synthesized and characterized using elemental analysis, Fourier transform infrared (FT-IR) spectroscopy and single-crystal X-ray diffraction. FT-IR peaks show that the carboxylate group from 2-fluorobenzoate has a monodentate coordination mode. The coordination environment around the Ni²⁺ ion is of distorted octahedral geometry. The octahedral geometry consists of a total of four oxygen atoms from two carboxylate groups of two fluorobenzoate anions, two water molecules and two nitrogen atoms from two 3-hydroxypyridine ligands. The complex shows excellent inhibitory effects against some metabolic enzymes. K_i values for the complex were found as 108.17 ± 25.63, 124.88 ± 36.20, 28.11 ± 2.87, 20.95 ± 5.65 and 32.63 ± 9.67 μM against human carbonic anhydrase I, human carbonic anhydrase II, α-glycosidase, acetylcholinesterase and butyrylcholinesterase, respectively. In addition, geometry optimization and vibration frequencies were calculated, and single point energy was studied based on optimization. Experimental and theoretical data were compared. The B3LYP/6-31G(d,p) basis set was used for all calculations.     

Reductions between types of numberings

This paper considers reductions between types of numberings; these reductions preserve the Rogers Semilattice of the numberings reduced and also preserve the number of minimal and positive degrees in their semilattice. It is shown how to use these reductions to simplify some constructions of specific semilattices. Furthermore, it is shown that for the basic types of numberings, one can reduce the left-r.e. numberings to the r.e. numberings and the k-r.e. numberings to the $(k+1)$-r.e. numberings; all further reductions are obtained by concatenating these reductions.     

Electric Black Holes in a Model of Nonlinear Electrodynamics

The electric counterpart of the magnetic black hole solution found in nonlinear electrodynamics (NED) is presented. The electric field emerges regular and confined whereas the spacetime which satisfies all the energy conditions is singular. Our result is in conformation with a theorem proved before about the existence of regular electric black holes. The thermal properties of the black hole including the first law, Smarr's formula, and the thermal stability are investigated. This provides a chance to compare the electric and magnetic types of black holes in a particular model of NED.     

Initial Carbon−Carbon Bond Formation during the Early Stages of Methane Dehydroaromatization

Methane dehydroaromatization (MDA) is among the most challenging processes in catalysis science owing to the inherent harsh reaction conditions and fast catalyst deactivation. To improve this process, understanding the mechanism of the initial C−C bond formation is essential. However, consensus about the actual reaction mechanism is still to be achieved. In this work, using advanced magic-angle spinning (MAS) solid-state NMR spectroscopy, we study in detail the early stages of the reaction over a well-dispersed Mo/H-ZSM-5 catalyst. Simultaneous detection of acetylene (i.e., presumably the direct C−C bond-forming product from methane), methylidene, allenes, acetal, and surface-formate species, along with the typical olefinic/aromatic species, allow us to conclude the existence of at least two independent C−H activation pathways. Moreover, this study emphasizes the significance of mobility-dependent host–guest chemistry between an inorganic zeolite and its trapped organic species during heterogeneous catalysis.     

A novel formulation and analysis for heat transfer in von Kármán flow involving viscoelastic fluid: OHAM solutions

Journal of Thermal Analysis and Calorimetry - This research concentrates on the von Kármán flow of viscoelastic fluid obeying second grade model over a heated permeable disk. Our interest...     

On Universal Pairs in the Ershov Hierarchy

Siberian Mathematical Journal - We develop the Ershov theory of C-classes for some finite families of sets in the Ershov hierarchy. We generalize the result by Muchnik on multiple $ m $...     

One-Step Hydrothermal Deposition of ZnO–TiO2 Heterojunction Nanostructures as Photoelectrochemical Performance for Sb2S3 Quantum-Dot-Sensitized Solar Cells by High-Efficiency Enhancement

Crystallography Reports - ZnO–TiO2 heterojunction photoanodes consisting of nanoparticles, nanorods, nanopropellers, and nanohedgehogs for dye-sensitized solar cell were first synthesized by...