Laser generation and electromagnetic detection of normal acoustic waves in ferromagnetic metals

Noncontact generation and detection of normal acoustic waves in a ferromagnetic metal sheet made of the 32NKD alloy are experimentally studied. The main relationships of the parameters of such processes are determined.     

Application of neutron stress diffractometry for studies of residual stresses and microstrains in reactor pressure vessel surveillance specimens reconstituted by beam welding methods

The high-resolution neutron-diffraction technique is used to determine the residual stresses and microstrains in unirradiated reactor pressure vessel surveillance specimens reconstituted by means of different welding methods. Comparative analysis of the results demonstrates that the lowest level of residual stresses is observed in the specimens reconstituted via electron-beam welding. The level of microstrains thereof is maximum, indicating a high dislocation density in the material.     

Synthesis Based on Electrophilic Selenium Reagents and Acetylenes

Reactions of dicyanodiselenide, selenenyl chlorides and bromides with acetylenes and some further transformations of obtained products have been studied.     

Nonexponentially Decaying Electromagnetic Waves Localized at the Boundary of Anisotropic Metal–Dielectric Structures

The possibility of the existence of a special class of surface electromagnetic waves with amplitude decreasing nonexponentially as they pass into an anisotropic metal–dielectric structure that borders the isotropic dielectric has been shown. The dispersion equation describing the propagation of such special surface waves has been obtained, and their attenuation coefficients and formula for electric and magnetic fields in contacting media have also been found. The expressions for the longitudinal and transverse components of the Poynting vector and volume density of electric and magnetic energy of special surface waves have been obtained. Numerical calculations for the layered metal–dielectric nanostructure that is described by a uniaxial tensor of effective dielectric permeability have been carried out Decaying.     

Protein–ligand docking using FFT based sampling: D3R case study

Fast Fourier transform (FFT) based approaches have been successful in application to modeling of relatively rigid protein–protein complexes. Recently, we have been able to adapt the FFT methodology to treatment of flexible protein–peptide interactions. Here, we report our latest attempt to expand the capabilities of the FFT approach to treatment of flexible protein–ligand interactions in application to the D3R PL-2016-1 challenge. Based on the D3R assessment, our FFT approach in conjunction with Monte Carlo minimization off-grid refinement was among the top performing methods in the challenge. The potential advantage of our method is its ability to globally sample the protein–ligand interaction landscape, which will be explored in further applications.     

Strain localization under dynamic loading

A spallation model of strain localization is suggested according to which localization bands under pulsed loading result from unloading wave interference such that negative stresses in the extension zone are lower than the ultimate strength of the material. The temperature in the localization band is estimated to be close to the environmental temperature.     

Sequential-dissociation kinetics of non-covalent complexes of DNA with multiple proteins in separation-based approach: General theory and its application

Binding of multiple proteins to DNA is crucial in many regulatory cellular processes. The kinetics of assembly and disassembly of DNA–multiple protein complexes is very difficult to study in detail due to the lack of suitable experimental approaches. A separation-based approach has been recently proposed to resolve disassembly kinetics of such complexes. While conceptually simple, the separation-based approach generates experimental data with very complex patterns. The analysis of these patterns is a challenging problem on its own. Here we report on a mathematical approach that can extract a solution for the experimental data obtained in separation-based analysis of sequential dissociation of a DNA complex with multiple proteins. This case describes the dissociation of proteins one-by-one from the complex. Generally speaking, a mathematical solution of such problems requires calculations of multiple integrals. Our approach reduces this procedure to taking double integrals and constructing their superposition. We tested this approach with the experimental data obtained for three-step sequential dissociation of complexes of DNA with two protein copies.