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DFT Investigations(Geometry Optimization, UV/Vis, FT-IR, NMR, HOMO-LUMO, FMO, MEP, NBO, Excited States) and the Syntheses of New Pyrimidine Dyes

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Chinese Journal of Structural Chemistry 2018年第8期37卷 1201-1222页

作者： MASOOME Sheikhi SIYAMAK Shahab LIUDMILA Filippovich evgenij Dikusar MEHRNOOSH Khaleghian Young Researchers and Elite Club Gorgan BranchIslamic Azad University Institute of Physical Organic Chemistry National Academy of Sciences of Belarus Institute of Chemistry of New Materials National Academy of Sciences of Belarus Belarussian State University ISEI BSU Minsk Department of Chemistry Islamshahr BranchIslamic Azad University

In the present work, the molecular structures of two new synthesized dyes：（4,6-dimethylpyrimidin-2-ylamino）（5-p-tolylisoxazol-3-yl）methanol（PS-1） and N-（4,6-dimethylpyrimidin-2-yl）-5-phenylisoxazole-3-carboxamide（PS-2）, have been investigated using density functional theory（DFT） in dimethylformamide（DMF） for the first time. The electronic spectra of new dyes in a DMF solvent were carried out by time dependent density functional theory（TD-DFT） method. After quantum-chemical calculations two new dyes for the optoelectronic applications were synthesized. FT-IR spectra of the title compounds are recorded and discussed. NucleusIndependent Chemical Shifts（NICS） calculations have also been carried out for the title compounds. The computed absorption spectral data of the title compounds are in good agreement with the experimental data, thus allowing an assignment of the UV spectra. The HOMO and LUMO molecular orbitals, excitation energies and oscillator strengths for the dyes have also been calculated and presented.

关键词： pyrimidinedye NICS DFT calculation UV/Vis spectrum

Vibration diagnostics of weak base embankments

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Research in Cold and Arid Regions 2013年第5期5卷 530-533页

作者： evgenij Ashpiz Vladimir Kapustin Svetlana Klepikova Maxim Shirobokov Moscow State University of Railway Transportation Research and Survey Institute Geotech

In this paper the theoretical background was analyzed for vibration diagnostics method and experience in its application for weak base embankments. General schemes of survey and recommendations on hardware systems and... 详细信息

关键词： vibration diagnostics embankments weak base

The Scattering of a Cylindrical Shear-Axial Wave by a Circular Cavity in Piezoelectric Crystal

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Open Journal of Acoustics 2013年第4期3卷 103-109页

作者： evgenij Kosyak Nikolaj Shevyakhov Sarov Physics Technical Institute of National Nuclear Research University Sarov Russia.

The features of a cylindrical shear-axial wave scattering by a circular cavity in piezoelectric crystal of 6(4)-class of symmetry are discussed. It is shown that the basic integral characteristics of scattering—scattering indicatrix and total cross-section scattering have large changes with approach of a linear shear-axial wave source to cavity boundary. The small-scale oscillations in spectra of scattering are caused by the interference contribution of waves circulating on a boundary as they are capable of effective capture by concave metallized boundary of a cavity.

关键词： Diffraction Scattering Indicatrix Section of Scattering Piezoeffect

Practice of Inline Pipeline Inspection with MDSCAN Intelligent Pigs

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Practice of Inline Pipeline Inspection with MDSCAN Intellige...

Modern aspects of construction of information microwave therapy devices

17th World Conference on Non-Destructive Testing

作者： Dmitry SLESAREV Dmitry SUKHORUKOV evgenij VASIN Eiectrodnaja 11 b.1"Intron Plus"MoscowRussia "Diascan" LukhovitsyRussia

＜正＞MFL intelligent pigs are widely applied for pipeline inline inspection because of possibility of complete pipe and weld *** types of pipeline defects as pitting corrosion and transverse weld seams cracks can be detected and estimated only y MFL *** the same time MFL remains an indirect method of defects estimation with a lot of influence factors,which obviously decrease estimation *** using of a priori information of typical defects and sections particularities enables appreciable increasing of estimations *** subclasses of metal loss defects enable to increase accuracy of field inverse problem solution within limited training *** the same time it proves to be possible to apply achieved training results to the pipes with a wide variety of their diameters and wall *** other problem concerns evaluation of real corrosion agglomeration especially within automated inspection data processing.

关键词： MFL Pipeline inspection

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Natural Science 2013年第12期5卷 1230-1237页

作者： Stanislav N. Darovskih evgenij P. Popechitelev Nadezhda V. Vdovina Ivan V. Novikov Saint Petersburg Electrotechnical University “LETI” Saint Petersburg Russian South Ural State University Chelyabinsk Russian

This article is devoted to presenting modern aspects of building information microwave therapy devices. And it presents an analysis of the existing problems of the organism homeostasis control by means of electromagnetic radiation. The new principles of synthesis of operating influences are formulated. On the basis of the thermodynamic approach is justified as a leading role modeling the space microwave background to restore disturbed homeostasis of the organism. The general patterns of development of the pathological process and possible mechanisms of corrective action of natural electromagnetic background are described. The implementation of the approach offered by the authors to constructing device information physiotherapy allowed creating high-performance hardware and software means for the prevention and treatment of a wide range of human diseases.

关键词： Information Microwave Therapy Homeostasis Electromagnetic Pollution Relict Radiation Electromagnetic Radiation

Functional Conjugation of the Different Regulatory Responses to the Stress Stimuli in Healthy Human Subjects

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Open Journal of Applied Sciences 2016年第8期6卷 489-500页

作者： Yurij G. Sukhovey Andrey V. Koptyug Tatjana A. Fisher Sergey A. Petrov evgenij L. Dotsenko Institute of Clinical Immunology Siberian Division of Russian Academy of Sciences Tyumen Russia Sports Tech Research Centre Mid Sweden University &Ouml stersund Sweden Tyumen Research Centre Siberian Division of Russian Academy of Sciences Tyumen Russia Tyumen State Oil and Gas Institute Tyumen Russia Tyumen State University Tyumen Russia

Present article discusses the physiological mechanisms of the state employees adaptation during active training in temporary groups. It is suggested that adaptive mechanisms to adverse effects may be studied basing on the concept of functional isomorphism of the psychic and immune systems. Adaptive mechanisms were studied through the monitoring of the stress factors’ impact upon the law enforcement officers when training outside the places of permanent deployment. The specific purpose of present study was to evaluate the physiological indicators of the psychic, immune and endocrine systems dynamics at different stages of adaptation of the live organism to a stressful situation, hoping to get better insight into possible relations between psychic and immune domains. Through monitoring of the dynamics of the endocrine and immune responses to the psychic stimuli, it was possible to correlate the stages of the stress onset to the phases of specific immune reactions. Strong correlations between the parameters characterizing activation of the psychic and immune responses support the hypothesis of the presence of “strong cooperation” between psychic and immune domains. It supports earlier hypothesis that we are monitoring different manifestations of the functioning of a complex inseparable psycho-immune meta-system.

关键词： Stress Immune and Psychic Domains Endocrine System Immune Response Stages Functional

Simulated Solar Microwave Radiation Blocks the Formation of Biofilms

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Natural Science 2015年第3期7卷 127-131页

作者： Yulia S. Shishkova Stanislav N. Darovskih Nadezhda V. Vdovina Nadezhda L. Pozdnyakova I. A. Komarova Elena V. Shishkova evgenij V. Vodyanitskiy South Ural State Medical University Chelyabinsk Russia South Ural State University Chelyabinsk Russia

The article presents the results of the experimental study that was devoted to determining the blocking influence of the solar microwave radiation on the process of biofilm formation in Gram-positive and Gram-negative microorganisms. The microwave generator that allows simulating microwave “splashes” of the Sun in the frequency range (4.0 - 4.3 GHz) with the controlled intensity of radiation (from 50 μW/sm2 to 500 μW/sm2) was used for conducting this research. It is found out that the simulated solar radiation of the microwave range blocks the formation of the extracellular matrix by the opportunistic microorganisms. The results of this study confirm the hypothesis of the evolutionary nature of the leading role of the microwave radiation of the Sun in the life processes of organisms. The technology of the exposure on the microorganisms that was used in the experiment opens up the real prospects for reducing the persistent potential of microorganisms and improving the efficiency of the bacterial infections treatment.

关键词： Solar Microwave Radiation Microorganisms Biofilms Extracellular Matrix Persistence