Investigation of the optical spectra of barium-zinc (aluminum) fluoroborates and barium-zinc fluorocarbonate from first principles

The Raman scattering, infrared absorption, and reflection spectra of hexagonal non-centrosymmetric BaZnBO3F and BaAlBO3F2 and centrosymmetric BaZn3BO3F2 and BaZnCO3F2 are calculated using the standard procedures of the CRYSTAL package with the basis of localized orbitals and the B3LYP hybrid functional within the framework of the Hartree-Fock conjugate perturbation method. It is shown that the layered structure of crystals manifests itself in the spectra of vibrational modes polarized along and perpendicular to the c axis with wavenumbers for the lattice region formed by displacements of atoms in [BaF]∞ and [MAO3]∞ (M: Zn, Al; A: B, C) layers, for molecular deformation outside and in the plane of anions BO3 and CO3. The quantitative and qualitative composition of the spectra is determined by the symmetry of the crystal lattice

Enhanced Yb:YAG active mirrors for high power laser amplifiers

The work is aimed at the investigation of the influence of nonlinear active ions concentration profiles in Yb:YAG laser elements on temperature distribution and wavefront distortions during amplification using sub-kilowatt level diode pumping. A mathematical model is presented for the theoretical study of the amplification process in crystals with cubic crystal system. A detailed comparison of Yb:YAG active elements with the same thickness and absorbed pumping power, but with various concentration profiles of Yb3+, ions is carried out. It is shown that the use of active elements with an increasing dopant concentration in the pump beam direction allows one to optimize the temperature profile inside the active element and, thus, reduce the thermal-induced wavefront distortions of the amplified radiation. Modeling is carried out for the experimentally grown crystal with linear concentration gradient profile. It is shown that the linear doping profile with a gradient of 0.65 at.%/mm allows increasing the small-signal gain up to 10% and decreasing the thermal-induced wavefront distortions by ~15%

High-temperature abatement of N2O over FeOx/CeO2-Al2O3 catalysts: the effects of oxygen mobility

CeO2-Al2O3 oxides prepared by co-precipitation (Ce+Al) or CeOx precipitation onto Al2O3 (Ce/Al) to obtain dispersed CeO2 and samples with further supported FeOx (2.5–9.9 weight% in terms of Fe) were characterized by XRD, XPS, DDPA and Raman. Fe/Ce/Al samples with lower surface concentrations of Fe3+ were substantially more active in N2O decomposition at 700–900 0C. It was related to higher oxygen mobility, as estimated from 16O/18O exchange experiments and provided by preferential exposing of (Fe-)Ce oxides. Stabilization of some Ce as isolated Ce3+ in Fe-Ce- Al mixed oxides dominating in the bulk and surface layers of Fe/(Ce + Al) samples retards the steps responsible for fast additional oxygen transfer to the sites of O2 desorption

Tackling atherosclerosis via selected nutrition

The development and pathogenesis of atherosclerosis are significantly influenced by lifestyle, particularly nutrition. The modern level of science and technology development promote personalized nutrition as an efficient preventive measure against atherosclerosis. In this survey, the factors were revealed that contribute to the formation of an individual approach to nutrition: genetic characteristics, the state of the microbiota of the gastrointestinal tract (GIT) and environmental factors (diets, bioactive components, cardioprotectors, etc.). In the course of the work, it was found that in order to analyze the predisposition to atherosclerosis associated with nutrition, genetic features affecting the metabolism of nutrients are significant. The genetic features include the presence of single nucleotide polymorphisms (SNP) of genes and epigenetic factors. The influence of telomere length on the pathogenesis of atherosclerosis and circadian rhythms was also considered. Relatively new is the study of the relationship between chrono-nutrition and the development of metabolic diseases. That is, to obtain the relationship between nutrition and atherosclerosis, a large number of genetic markers should be considered. In this relation, the question arises: “How many genetic features need to be analyzed in order to form a personalized diet for the consumer?” Basically, companies engaged in nutrigenetic research and choosing a diet for the prevention of a number of metabolic diseases use SNP analysis of genes that accounts for lipid metabolism, vitamins, the body’s antioxidant defense system, taste characteristics, etc. There is no set number of genetic markers. The main diets effective against the development of atherosclerosis were considered, and the most popular were the ketogenic, Mediterranean, and DASH-diets. The advantage of these diets is the content of foods with a low amount of carbohydrates, a high amount of vegetables, fruits and berries, as well as foods rich in antioxidants. However, due to the restrictions associated with climatic, geographical, material features, these diets are not available for a number of consumers. The way out is the use of functional products, dietary supplements. In this approach, the promising biologically active substances (BAS) that exhibit anti-atherosclerotic potential are: baicalin, resveratrol, curcumin, quercetin and other plant metabolites. Among the substances, those of animal origin are popular: squalene, coenzyme Q10, omega-3. For the prevention of atherosclerosis through personalized nutrition, it is necessary to analyze the genetic characteristics (SNP) associated with the metabolism of nutrients, to assess the state of the microbiota of the GIT. Based on the data obtained and food preferences, as well as the individual capabilities of the consumer, the optimal diet can be selected. It is topical to exclude nutrients of which their excess consumption stimulates the occurrence and pathogenesis of atherosclerosis and to enrich the diet with functional foods (FF), BAS containing the necessary anti-atherosclerotic, and stimulating microbiota of the GIT nutrients. Personalized nutrition is a topical preventive measure and there are a number of problems hindering the active use of this approach among consumers. The key factors include weak evidence of the influence of a number of genetic features, the high cost of the approach, and difficulties in the interpretation of the results. Eliminating these deficiencies will contribute to the maintenance of a healthy state of the population through nutrition

Conduction mechanism of metal-TiO2–Si structures

The conduction model has been proposed for the metal-TiO2–Si (MIS) structures. Rutile films have been prepared on Si substrates by magnetron sputtering of TiO2 target and annealing in the air at temperatures T = 800 and 1050 K. The current-voltage (CVC) and capacitance-voltage characteristics of the structures have been measured over the range of T = 283–363 K. At positive potentials on the gate, the conductivity of the MIS structures is determined by the space charge-limited current in the dielectric layer

Conduction mechanism of metal-TiO2-Si structures

The influence of annealing of titanium oxide films on the currents of metal-TiO2-n-Si structures was investigated. It has been shown that regardless of the annealing temperature the conductivity of structures at positive potentials on the gate is determined by currents limited by the space charge in the dielectric with traps exponentially distributed on energy. At negative potentials the main contribution to the current is the thermal generation of charge carriers in the space charge region in the silicon. Interface properties of TiO2-n-Si depend on the structural and phase state of the titanium oxide film which are determined by the annealing temperature