Computer simulation and study of the IR spectra of irradiated polymer materials

Within the framework of MDDP the calculations of IR spectra have been performed for the initial polyethylene terephthalate (PET) and its state with the cation which satisfactorily describing experimental data. The calculations were made using the MDDP (modified neglect of diatomic differential overlap), implemented in the program MOPAC 2012. A feature of the method is that the overlap integrals are replaced by the [delta]-function, single-site Coulomb and exchange integrals are calculated by atomic parameters Slater-Condon. In recent years the studies of the structure and physico-chemical properties of polyethylene terephthalate and composites made on it basis have got the intensive development. Comparison of calculations with experimental data gives their satisfactory agreement

Internal scheme of the body assessment in an experiment with environmental uncertainty

The aim of the work was to analyze the influence of various environmental factors forming environmental uncertainty on the nature of the transformation of the "internal scheme of the body". Materials and methods. For the study, a group of healthy volunteers (n = 90) was selected. The results in this paper are median, 75 and 25 percentiles (Me [UQ / LQ]). The study was conducted in several stages. At the first stage, the criteria for excluding potential participants from the experiment were formed. At the second stage of the study, a video analysis of the main anatomical orientations of the pelvic region in static and dynamic samples was conducted for all participants. Conclusion. In the course of the study, specific patterns of spatial deviations of biomechanical blocks of the pelvic region were established, triggered by changes in the qualitative and quantitative parameters of the external environment. So, in conditions of static equilibrium, coordination is activated with involvement of the anterior and posterior half-rings of the pelvis (frontal biomechanical blocks); in conditions of dynamic equilibrium, diagonal biomechanical blocks of the pelvic region are activated; in conditions of deprivation of visual afferentation, the compensatory reactions of the lateral semirings of the pelvic region (lateral biomechanical blocks) are formed

Синтез халконов с изоксазольным фрагментом

The synthesis of new chalcones with potential biological activity, including the reactions of chloromethylation, N-alkylation, Claisen-Schmidt condensation, was carried out. The compounds obtained contain an isoxazole moiety in their structure.Проведен синтез новых халконов с потенциальной биологической активностью, включающий реакции хлорметилирования, N-алкилирования, конденсацию Кляйзена–Шмидта. Полученные соединения содержат в своей структуре изоксазольный фрагмент

Correlation effects during liquid infiltration into hydrophobic nanoporous mediums

Correlation effects arising during liquid infiltration into hydrophobic porous medium are considered. On the basis of these effects a mechanism of energy absorption at filling porous medium by nonwetting liquid is suggested. In accordance with this mechanism, the absorption of mechanical energy is a result expenditure of energy for the formation of menisci in the pores on the shell of the infinite cluster and expenditure of energy for the formation of liquid-porous medium interface in the pores belonging to the infinite cluster of filled pores. It was found that in dependences on the porosity and, consequently, in dependences on the number of filled pores neighbors, the thermal effect of filling can be either positive or negative and the cycle of infiltration-defiltration can be closed with full outflow of liquid. It can occur under certain relation between percolation properties of porous medium and the energy characteristics of the liquid-porous medium interface and the liquid-gas interface. It is shown that a consecutive account of these correlation effects and percolation properties of the pores space during infiltration allow to describe all experimental data under discussion

Синтез пиримидиновых производных на основе халконов и их противомикробная активность

A series of substituted chalcones and pyrimidine derivatives on their base was synthesized. Obtained compounds were tested for antimicrobial activity and ability to increase activity of known antimicrobial substances. Pyrimidine products shown good activity against Staphylococcus aureus and Candida tropicalis. These compounds also could increase activity of modified polyguanidines against Staphylococcus aureus.Синтезирован ряд замещенных халконов и пиримидиновых производных на их основе. Исследована противомикробная активность полученных соединений, а также их способность усиливать действие существующих противомикробных средств. Синтезированные на основе халконов пиримидиновые производные обладают антибактериальной и противомикробной активностью, а также способны усиливать противомикробную активность существующих препаратов

АЛГОРИТМЫ ПОДАВЛЕНИЯ КОЛЕБАНИЙ ГРУЗОВ ПОДЪЕМНО-ТРАНСПОРТНЫХ МЕХАНИЗМОВ С ИСПОЛЬЗОВАНИЕМ НЕЧЕТКОЙ ЛОГИКИ ФУНКЦИОНИРОВАНИЯ

The algorithms to suppress oscillations that occur during the movement of payload by hoisting-and-transport mechanism are presented. The use of fuzzy logic provides quite simple to implement a control unit and take into account actual constraints of drives. Anti-sway control based on fuzzy logic has a good performance, even in the case of changing length of the payload cable in a wide range, as it’s shown by simulation.Приведены результаты разработки и исследования алгоритмов подавления колебаний с нечеткой логикой функционирования для перемещения грузов с помощью подъемно-транспортных механизмов. Произведен анализ эффективности управления с нечеткой логикой функционирования, исследовалась чувствительность системы управления к изменениям длины подвеса

Biomimetic thin film deposition

Biological mineral deposition for the formation of bone, mollusk shell and other hard tissues provides materials scientists with illustrative materials processing strategies. This presentation will review the key features of biomineralization and how these features can be of technical importance. We have adapted existing knowledge of biomineralization to develop a unique method of depositing inorganic thin films and coating. Our approach to thin film deposition is to modify substrate surfaces to imitate the proteins found in nature that are responsible for controlling mineral deposition. These biomimetic surfaces control the nucleation and growth of the mineral from a supersaturated aqueous solution. This has many processing advantages including simple processing equipment, environmentally benign reagents, uniform coating of highly complex shapes, and enhanced adherence of coating. Many different types of metal oxide, hydroxide, sulfide and phosphate materials with useful mechanical, optical, electronic and biomedical properties can be deposited

Nonlinear dynamics of magnetohydrodynamic flows of heavy fluid over an arbitrary surface in shallow water approximation

The magnetohydrodynamic equations system for heavy fluid over an arbitrary surface in shallow water approximation is studied in the present paper. It is shown that simple wave solutions exist only for underlying surfaces that are slopes of constant inclination. All self-similar discontinuous and continuous solutions are found. The exact explicit solutions of initial discontinuity decay problem over a flat plane and a slope are found. It is shown that the initial discontinuity decay solution is represented by one of five possible wave configurations. For each configuration the necessary and sufficient conditions for its realization are found. The change of dependent and independent variables transforming the initial equations over a slope to those over a flat plane is found.Comment: 43 pages, submitted to Theoretical and Computational Fluid Dynamic

Grafted block complex coacervate core micelles and their effect on protein adsorption on silica and polystyrene

We have studied the formation and the stability of grafted block complex coacervate core micelles (C3Ms) in solution and the influence of grafted block C3M coatings on the adsorption of the proteins β-lactoglobulin, bovine serum albumin, and lysozyme. The C3Ms consist of a grafted block copolymer PAA21-b-PAPEO14 (poly(acrylic acid)-b-poly(acrylate methoxy poly(ethylene oxide)), with a negatively charged PAA block and a neutral PAPEO block and a positively charged homopolymer P2MVPI (poly(N-methyl 2-vinyl pyridinium iodide). In solution, these C3Ms partly disintegrate at salt concentrations between 50 and 100 mM NaCl. Adsorption of C3Ms and proteins has been studied with fixed-angle optical reflectometry, at salt concentrations ranging from 1 to 100 mM NaCl. In comparison with the adsorption of PAA21-b-PAPEO14 alone adsorption of C3Ms significantly increases the amount of PAA21-b-PAPEO14 on the surface. This results in a higher surface density of PEO chains. The stability of the C3M coatings and their influence on protein adsorption are determined by the composition and the stability of the C3Ms in solution. A C3M-PAPEO14/P2MVPI43 coating strongly suppresses the adsorption of all proteins on silica and polystyrene. The reduction of protein adsorption is the highest at 100 mM NaCl (>90%). The adsorbed C3M-PAPEO14/P2MVPI43 layer is partly removed from the surface upon exposure to an excess of β-lactoglobulin solution, due to formation of soluble aggregates consisting of β-lactoglobulin and P2MVPI43. In contrast, C3M-PAPEO14/P2MVPI228 which has a fivefold longer cationic block enhances adsorption of the negatively charged proteins on both surfaces at salt concentrations above 1 mM NaCl. A single PAA21-b-PAPEO14 layer causes only a moderate reduction of protein adsorption

Влияние дыма лесных пожаров на течение болезней органов дыхания

In 1998 wood fire'in the Far East lasted from July to November and seized the territory of 2.1 rAillion of hectares. More than 1 million of residents have undergone td an influence of smoke from burning wood for long time. Though the mortality and morbidity from respiratory diseases did not increase in 1998, the authors revealed a number of quantitative changes in the course of principal respiratory diseases in the period of the smoke influence.Hospitalization of patients with pneumonia in Khabarovsk and Komsomolsk hospitals increased by 20-30%. This disease run more severe compared with the same period of 1997. Bilateral lung injury and dry cough were observed more often. A peculiar bronchopneumopathy with breathlessness, dry cough, crackles and wheezing on auscultation, bilateral bronchial wall thickening on chest radiography, absence of fever and intoxication, high efficacy of glucocorticosteroids and bronchodilators was noted in children aged 5-13 years.In 191 adult patients with lung obstructive disease the effect of traditional complex therapy was reliably worse assessed by the FEV1 dynamics. The increase of atmospheric CO concentration more than 3 mg/m3 was accompanied by an improvement of bronchial passability in asthmatic patients and its worsening in chronic obstructive bronchitis patients (p<0.05). This is thought to involve different obstruction mechanisms in these diseases.Лесные пожары на Дальнем Востоке в 1998 году продолжались с июля по ноябрь и охватили площадь до 2,1 млн га. Более 1 млн жителей региона длительное время подвергались воздействию продуктов горения леса. Несмотря на отсутствие роста заболеваемости и смертности от патологии органов дыхания в 1998 году, авторами выявлен ряд качественных изменений в течении основных заболеваний системы дыхания в период воздействия дыма.На 20-30% увеличилась госпитализация больных пневмонией в больницы г. Хабаровска и г. Комсомольска-на-Амуре. Заболевание носило более тяжелое течение, чем за тот же период 1997 года. Чаще отмечался двусторонний характер поражения легких и симптомы сухого кашля. У детей в возрасте 5-13 лет в период задымленности отмечено появление своеобразной бронхопневмопатии с симптомами одышки, сухого кашля, крепитацией и хрипами при аускультации, двусторонним усилением легочного рисунка на рентгенограмме, отсутствием лихорадки и интоксикации, высокой эффективностью лечения глюкокортикоидами и бронхолитиками.У 191 взрослого пациента с обструктивными заболеваниями легких в период задымленности отмечен достоверно более низкий эффект стандартной комплексной терапии по критерию ОФВ1. Повышение концентрации СО в атмосфере более 3 мг в 1 м3 сопровождалось улучшением бронхиальной проходимости у больных астмой и её снижением у пациентов с хроническим обструктивным бронхитом (р<0,05), что, вероятно, связано с различием механизмов обструкции при этих заболеваниях