Split-valence basis sets for describing the structure of the methylsilane molecule

I. V. Grebenshchikov Institute of the Chemistry of Silicates. Translated from Zhurnal Strukturnoi Khimii, Vol. 29, No. 6, pp. 128–130, November–December, 1988.     

Nonempirical Investigation of Equilibrium Geometry and Electronic Structure of Kynurenine and 3-Hydroxykynurenine Molecule

By Hartree-Fock-Roothaan method with complete geometry optimization in the basis 6-31G* ab initio calculations of equilibrium geometry and electronic structure were performed for kynurenine C₁₀H₁₂N₂O₃ and 3-hydroxykynurenine C₁₀H₁₂N₂O₃ molecules in the singlet ground state and the first triplet excited state. The molecules in the triplet state can react at the oxygen of the carbonyl group adjacent to the aromatic ring by quite different pathway compared to the molecules in the ground singlet state.     

Synthesis and Steric Structure of H-Leu-His-Lys-Leu-Gln-Thr-NH<Subscript>2</Subscript> and H-Ala-<Emphasis Type="Italic">D</Emphasis>-Ala-Lys-Leu-Ala-Thr-NH<Subscript>2</Subscript> Peptides

Conformational computations of the synthesized H-Leu-His-Lys-Leu-Gln-Thr-NH₂ and H-Ala-D-Ala-Lys-Leu-Ala-Thr-NH₂ peptide sequences corresponding to the 16–21 fragment of salmon calcitonin II and its highly active analog that exhibits an analgesic activity were performed. The molecular dynamics method with the AMBER force field was used to trace changes in the geometric parameters of the two molecules over the course of 1500 ps. The conformation of the molecular skeletons underwent no radical changes during computations, and relative flexibility was only revealed in the Lys³, Leu⁴, and Thr⁶ side chains.__________Translated from Zhurnal Obshchei Khimii, Vol. 75, No. 5, 2005, pp. 863–872.Original Russian Text Copyright © 2005 by Rogachevskii, Burov, Shchegolev.     

Electron–Neutron Detector Array (ENDA)

Physics of Atomic Nuclei - By accurate measurement of components and energy spectrum in the knee region, problem of origin of cosmic ray can be solved. In one extensive air shower (EAS), high...     

Application of Doppler Backscattering for Alfvén Mode Study on the Globus-M Spherical Tokamak

Physics of Atomic Nuclei - The Alfvén oscillations were studied using the multifrequency Doppler backscattering (DBS) method on the Globus-M spherical tokamak during the neutral deuterium...     

First Counter-NBI Experiments on the Globus-M Tokamak

A high-energy counter-NBI has been applied for the first time on the Globus-M spherical tokamak. An ELM-free H-mode has been obtained. However, no significant increase in the ion temperature and plasma energy content compared to ELMy H-mode has been observed. This is due to a high level of the fastion losses. Neither increase in the plasma current nor an increase in plasma-wall distance resulted in an increase in NB heating efficiency as it occurred during the co-NBI experiments.     

Cosmic ray spectrum measured by the PRISMA-32 setup

The results of measurements of the spectrum of extensive air showers (EASs) by the number of neutrons detected by the PRISMA-32 setup are presented. The neutron component is formed during the interaction of high-energy shower hadrons with nuclei of atmospheric and Earth’s surface atoms. The PRISMA-32 setup consists of 32 en-detectors and operates in the continuous mode for about 5 years.     

Mass-spectrometric monitoring of the stress reaction during anesthesia

Clinical testing data for a mass-spectrometric method of estimating the patient’s stress reaction to an injury done during anesthesia are presented. The essence of the method is monitoring the respiratory coefficient, which is defined as ratio N of the expiratory mass concentration of CO₂ to the inspiratory mass concentration of O₂ at each breathing cycle. For on-line monitoring of N, an electron ionization mass spectrometer connected to the breathing circuit of an inhalational anesthesia machine is used. Estimates of the anesthesia adequacy obtained with this method are compared with those obtained with the method that analyzes induced acoustic encephalographic potentials. It is shown that the method suggested is more sensitive to the level of the patient’s stress reaction during anesthesia than the induced potential method.