Raman Scattering Tensors in Biological Molecules and Their Assemblies

INTRODUCTION

The tensor associated with a Raman band plays an important role in determining the band intensity and its structural significance. Each Raman tensor interrelates two electric vectors, that of the exciting radiation (i.e. laser photon) and that of the Raman scattered radiation (i.e. the inelastically scattered photon which results from the exchange of a vibrational quantum between the exciting photon and the molecule). The Raman tensor is obtained formally as the first derivative of the molecular polarizability tensor, the derivative being taken with respect to the vibrational normal coordinate. In other words, the Raman tensor associated with a vibrational Raman band is an indicator of how the polarizability of the molecule oscillates with the molecular normal mode of vibration.     

Low temperature high-pressure crystallization and fluid phase equilibria in the systems Ar + CHF3 and N2 + CHF3

Abstract

An optical autoclave for phase studies on mixtures in the temperature range from 80 to 373 K and for pressures up to 200 MPa is described. The cell is fitted with sapphire windows and employs magnetic stirring. Measurements are performed according to the synthetical (e.g. by visual observation) or analytical method (e.g. by sampling and online gaschromatography). Results for the crystallization and fluid phase equilibria of the binary systems nitrogen + trifluoromethane and argon + trifluoromethane from 110 K to 230 K and up to 200 MPa are presented and discussed in comparison with other N₂- and CHF₃-systems.     

Chemical kinetics at high pressure

Abstract

Numerous studies have demonstrated the importance to include pressure as a kinetic parameter in the elucidation of inorganic reaction mechanisms. These studies have specially led to a better understanding and a systematic classification of solvent exchange and ligand substitution reactions of octahedral complexes of transition metal elements. The mechanistic picture for substution reactions on square planar complexes is well established and involves a concurrent bimolecular attack by solvent and the nucleophile on the substrate with a considerable discrimination among different entering groups. The search for factor promoting the conversion of the normal associative mode of activation into a dissociative process has then attracted much attention. Two attempts to induce dissociation, as studied by high-pressure NMR, are presented: one is to prevent the formation by means of sterically hindered ligands, the other one is to promote bond weakening at the leaving group.     

Photovoltaic performance of flexible Cu(In,Ga)Se2 thin-film solar cells with varying Cr impurity barrier thickness

We report the effect of Cr impurity barrier on Cu(In,Ga)Se₂ (CIGS) thin-film solar cells prepared on flexible substrates. The Cr films with varying the thickness (t_Cr) were deposited on stainless steel substrates using direct-current magnetron sputtering. The solar cell performance was improved by increasing t_Cr since the diffusion of Fe impurities from the substrate to CIGS was suppressed. Although the elemental composition, grain size, and strain of CIGS film showed little change with varying Fe content, the fill factor and the short-circuit current density increased as decreasing Fe. The Fe increased the series resistance, shunt paths, and saturation current density. The reduction of Fe caused a steeper bandgap grading in CIGS which enhances current collection due to higher electric fields in bulk CIGS. CIGS solar cells with 1000 nm-thick Cr barrier showed the best conversion efficiency of 9.05%.     

Untersuchungen zum Verhalten der Pt-Metalle gegenüber festen und flüssigen Kationenaustauschern mit Hilfe der Radiotracermethode

Mit Hilfe radioaktiver Nuklide wurde die Aufnahme der Pt-Metalle aus chloridhaltigen Lösungen sowoht durch feste (Wofatit KPS) als auch durch flüssige Kationenaustauscher (Bis-2-äthylhexylphosphorsäure) bei Variation des pH-Wertes, der Vorbehandlung sowie der Edelmetallkonzentration bestimmt. Pt und Ir wurden nur geringfügig, Pd und Rh dagegen deutlich stärker adsorbiert. Beide Austauschertypen zeigten qualitativ das gleiche Verhalten. Die gefundenen Abhängigkeiten der Adsorption wurden auf das komplexchemische Verhalten der Pt-Metalle zurückgeführt. Es werden Verfahren zur schnellen radiochemischen Reinigung der benutzten Nuklide angegeben.     

Electron paramagnetic resonance and FT-IR spectroscopic studies of DL-2-aminoadipic acid and ammonium acetate powders

Exposure of powder forms of DL-2-aminoadipic acid and ammonium acetate to gamma radiation results in the formation of free radicals detected by the electron paramagnetic resonance spectroscopy at room temperature. In these compounds, the observed paramagnetic species were attributed to the HOOCCH₂CH₂CH₂CHCOOH and CH₂COONH₄ radicals, respectively. The g values and the hyperfine coupling constants of the unpaired electron with the environmental protons were determined for these two radicals. In work, the observed paramagnetic species were found to be stable at room temperature for more than two months. Also, these compounds were characterised by FT-IR and UV–VIS. Their thermal stabilities were determined by TGA and DTA measurements. Thermal analyses were shown to be unstable of the HOOCCH₂CH₂CH₂CH(NH₂)COOH and CH₃COONH₄ against thermo-oxidative decomposition.     

Monte Carlo calculation of electron spectra produced in water phantoms by 20 keV-1 GeV photons

Abstract

A Monte Carlo calculation for the energy spectra of electrons and positrons produced in infinite and semiinfinite water phantoms by photons ranging in energies from 20 keV to 1 GeV are presented. The dominant processes considered are the photoelectric effect, Auger effect, Compton effect, pair, and triplet production. Bremsstrahlung produced by electrons and positrons with energies greater than 1 MeV is also included. The effect of multiple Compton scattering, not considered in the earlier calculation, for the infinite phantom for photon energies higher than 2 MeV has been incorporated. For a semi-infinite phantom, multiple Compton scattering and backscattering through the top are considered. The results are compared with the earlier calculations for the first-collision spectrum. It is found that the inclusion of multiple Compton scattering significantly increases the average number of electrons/cm³ per photon/cm² at all energies considered whereas bremsstrahlung reduces the number of high energy electrons and produces more low energy electrons in the spectrum.     

基于VPX总线的高速数字电路测试系统研究及应用

为解决战略预警雷达、舰载一体化等重点型号雷达中高速数字电路模块的维护能力,设计了基于VPX总线的高速数字电路自动测试系统,通过自研基于VPX总线的多功能测试模块、光纤测试模块,以及通用VPX背板,再结合通用的仪器设备构建测试系统,可兼顾多个型号雷达高速数字电路模块的测试。该系统可提供10路光纤通道,波特率最高为3.2Gbps;16路GPIO信号,中断响应时间＜50us;14路Rocket IO信号,传输速率2.5Gbps;4路*4Rapid IO信号,传输速率3.125Gbps。研究及实测结果表明该系统可解决基于VPX总线的高速数字电路模块的测试。