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Glukhova O.E.,Chernyshevsky Saratov State University
Journal of Molecular Modeling | Year: 2011

A mathematical model of the new nanodevice based on the K +@C60@tubeC740 hybrid carbon compound and named as the nanoautoclave is presented. The operation of the nanoautoclave is demonstrated by the example of modeling the synthesis process of stable dimers of the C20 and C28 fullerenes. Energetic characteristics of the (C20)2[2 + 2] dimer correspond to those calculated before. Parameters of the (C28)2[1 + 1] dimer have been calculated for the first time. The dimerization process is simulated by the method of molecular dynamics with the tight-binding description of interatomic interactions. © 2010 Springer-Verlag. Source

Serov V.V.,Chernyshevsky Saratov State University
Physical Review A - Atomic, Molecular, and Optical Physics | Year: 2011

We have implemented the paraxial approximation followed by the time-dependent Hartree-Fock method with a frozen core for the single impact ionization of atoms and two-atomic molecules. It reduces the original scattering problem to the solution of a five-dimensional time-dependent Schrödinger equation. Using this method, we calculated the multifold differential cross section of the impact single ionization of the helium atom, the hydrogen molecule, and the nitrogen molecule from the impact of intermediate-energy electrons. Our results for He and H2 are quite close to the experimental data. Surprisingly, for N2 the agreement is good for the paraxial approximation combined with first Born approximation but worse for pure paraxial approximation, apparently because of the insufficiency of the frozen-core approximation. © 2011 American Physical Society. Source

Khlebtsov N.,Chernyshevsky Saratov State University | Dykman L.,Russian Academy of Sciences
Chemical Society Reviews | Year: 2011

Recent advances in wet chemical synthesis and biomolecular functionalization of gold nanoparticles have led to a dramatic expansion of their potential biomedical applications, including biosensorics, bioimaging, photothermal therapy, and targeted drug delivery. As the range of gold nanoparticle types and their applications continues to increase, human safety concerns are gaining attention, which makes it necessary to better understand the potential toxicity hazards of these novel materials. Whereas about 80 reports on the in vivo biodistribution and in vitro cell toxicity of gold nanoparticles are available in the literature, there is lack of correlation between both fields and there is no clear understanding of intrinsic nanoparticle effects. At present, the major obstacle is the significant discrepancy in experimental conditions under which biodistribution and toxicity effects have been evaluated. This critical review presents a detailed analysis of data on the in vitro and in vivo biodistribution and toxicity of most popular gold nanoparticles, including atomic clusters and colloidal particles of diameters from 1 to 200 nm, gold nanoshells, nanorods, and nanowires. Emphasis is placed on the systematization of data over particle types and parameters, particle surface functionalization, animal and cell models, organs examined, doses applied, the type of particle administration and the time of examination, assays for evaluating gold particle toxicity, and methods for determining the gold concentration in organs and distribution of particles over cells. On the basis of a critical analysis of data, we arrive at some general conclusions on key nanoparticle parameters, methods of particle surface modification, and doses administered that determine the type and kinetics of biodistribution and toxicity at cellular and organismal levels (197 references). © 2011 The Royal Society of Chemistry. Source

Buterin S.A.,Chernyshevsky Saratov State University
Tamkang Journal of Mathematics | Year: 2011

A second-order differential pencil on a finite interval with spectral parameter dependent boundary conditions is considered. The inverse problem is studied of recovering the coefficients of the boundary value problemfromits spectrum, provided that on one half of the interval they are known a priori. The uniqueness theoremfor this inverse problemis proved and a constructive procedure for finding its solution is obtained. Source

Popov V.V.,Chernyshevsky Saratov State University
Journal of Infrared, Millimeter, and Terahertz Waves | Year: 2011

Physics of plasma oscillations and basic principles of plasmonic detection of terahertz radiation in the grating-gate transistor structures with two-dimensional electron channels are considered. It is shown that the grating-gate-transistor plasmonic detectors can be efficiently coupled to terahertz radiation. Plasmonic detection response considerably increases if the electron density in the grating-gate transistor structure is spatially modulated. © Springer Science+Business Media, LLC 2011. Source

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