First principles determination of the bound levels of HeLi-

An analytical potential energy curve is developed from high quality ab initio calculations for the He+Li- interaction. The HeLi- electrostatic complex is found to have an Re of 18.5 bohrs and a De of 0.974 cm(-1). Numerical solution of the rovibrational Schr?dinger equation with this potential indicates two bound levels, (v,J)=(0,0) and (0,1), for all naturally occurring isotopologs (i.e., 4He7Li-, 4He6Li-, 3He7Li-, and 3He6Li-). For the common isotopolog, 4He7Li-, a D0 of 0.207 cm(-1) and an R0 of 26.5 bohrs is determined.     

Sulfur and selenium: the role of oxidation state in protein structure and function

Sulfur and selenium occur in proteins as constituents of the amino acids cysteine, methionine, selenocysteine, and selenomethionine. Recent research underscores that these amino acids are truly exceptional. Their redox activity under physiological conditions allows an amazing variety of posttranslational protein modifications, metal free redox pathways, and unusual chalcogen redox states that increasingly attract the attention of biological chemists. Unlike any other amino acid, the "redox chameleon" cysteine can participate in several distinct redox pathways, including exchange and radical reactions, as well as atom-, electron-, and hydride-transfer reactions. It occurs in various oxidation states in the human body, each of which exhibits distinctive chemical properties (e.g. redox activity, metal binding) and biological activity. The position of selenium in the periodic table between the metals and the nonmetals makes selenoproteins ideal catalysts for many biological redox transformations. It is therefore apparent that the chalcogen amino acids cysteine, methionine, selenocysteine, and selenomethionine exhibit a unique biological chemistry that is the source of exciting research opportunities.     

Evaluation of sulfur, selenium and tellurium catalysts with antioxidant potential

Oxidative stress is implicated, either directly or indirectly, in the pathology of a range of human diseases. As a consequence, the development of efficient antioxidants for medical use has become increasingly important. We have synthesised a range of structurally related organo-sulfur, -selenium and -tellurium agents and demonstrated that a combination of electrochemical methodology, in vitro assays and cell culture tests can be used to rationalise the antioxidant activity of these catalytic agents. Based on its exceptionally low anodic oxidation potential (Epa) and high activity against the representative oxidative stressors tert-butyl hydroperoxide and peroxynitrite, 4,4'-dihydroxydiphenyltelluride is predicted to be a potent antioxidant. This compound exhibits a correspondingly high activity with a remarkably low IC50 value of 20 nM, when tested in PC12 cell culture using a bioassay indicative of the early stages of Alzheimer's disease.     

Are J(Si-H) NMR coupling constants really a probe for the existence of nonclassical H-Si interactions?

A series of hydridosilyl complexes of tantalum, Cp(ArN)Ta(PMe3)(H)(SiClnR3-n) (n = 0-3), was prepared and studied by 29Si NMR, X-ray diffraction, and DFT calculations. An unprecedented increase of the J(Si-H) coupling constant between the hydride and silyl ligands from 14 Hz for n = 0 to 50 Hz n = 3 was observed, which however, according to DFT calculations, does not correspond to stronger bonding interaction between silicon and hydride ligands, with the strongest interaction being for n = 1.     

Multiscale coherent structures and broadband waves due to parallel inhomogeneous flows

Linear theory analysis and particle-in-cell simulations show that a spatial transverse gradient in the ion drift parallel to the magnetic field, dV(di)/dxOmega(i). Nonlinearly, these waves lead to multiscale spatially coherent structures, substantial cross-field transport, ion energization, and phase-space diffusion. Large spikes are formed in the parallel electric field time series. These signatures are similar to the Fast Auroral Snapshot satellite observations in the upward current region.     

Yb离子抽运动力学及脉冲储能特性研究

从准三能级Yb离子的能级结构出发，建立了Yb离子的抽运和激光速率方程，结合解析和数值方法，研究了Yb激光介质的抽运动力学过程，包括抽运激发效率、最低抽运强度、激光能量提取效率等关键参数.比较了三类典型的Yb激光介质性能：Yb:S-FAP,Yb:YAG以及Yb:FP-glass.以放大自发辐射(ASE)为设计判据，重点研究了脉冲储能型Yb激光器的设计准则，包括增益介质的厚度与掺杂浓度.最后利用此模型给出了基于Yb:S-FAP以及Yb:YAG的100J级二极管抽运固体激光器(DPSSL)的总体设计参数.将对基于Yb激光介质的脉冲储能型DPSSL的设计提供有益的参考. 关键词： Yb离子 速率方程 抽运动力学 二极管抽运固体激光器     

A Simple Model for Measuring Refractive Index of a Liquid Based upon Fresnel Equations

Due to many experimental data required and a lot of calculations involved, it is very complex and cumbersome to model prism-based liquid-refractive-index-measuring methods. We develop a new method of mathematical modelling for measuring refractive index of a liquid based upon the Fresnel formula and prism internal reflection at an incident angle less than the critical angle. With this method, only two different concentrations measurements for a kind of solution can lead to the determination of computational model. Measurements are performed to examine the validity of the theoretical model. Experimental results indicate the feasibility of the theoretical model with an error of 1%. The method is also capable of measuring even smaller changes in the optical refractive index of the material on a metal surface by the surface plasma resonance sensing techniques.     

基于LPC2210和SSD1339的PM-OLED驱动控制电路

为了避免早期无源矩阵有机电致发光器件驱动控制电路的一些缺陷,如:"串扰"和"交叉"效应以及电路连接比较复杂,用两种方法实现了基于飞利浦公司生产的LPC2210控制芯片和晶门科技公司的SSD1339驱动芯片的驱动控制电路。首先介绍了有机电致发光器件的结构和发光原理以及芯片SSD1339和LPC2210的主要的特点;分析和比较了SSD1339的8080系列并行口和LPC2210外部存储控制单元的读写时序;分别利用LPC2210的通用输入输出单元和外部存储控制单元,成功的控制SSD1339驱动128RGB×128点阵有机电致发光屏。实验结果表明:两种方法不仅可以有效地克服早期驱动控制电路的缺陷,而且可以使有机电致发光屏显示出高质量的图片;用外部存储控制单元实现的驱动控制电路,可以实现约80 Hz的驱动帧频;而使用通用输入输出单元实现的驱动控制电路,可以单步跟踪数据的传输,因此它具有方便查错的优势。本次实验为在不同的集成环境下无源矩阵有机电致发光器件驱动控制电路的设计奠定基础。     

脉冲激光诱导光纤损伤的测试方法

 针对传能光纤的高峰值功率激光损伤过程，研究了光纤损伤测试方法。实验装置搭建中增加了定位孔，有利于激光注入光纤对准；分别采用刀口法和CCD法对入射光束不同截面处光斑大小进行了测量，两种方法的测量结果基本一致。参考GJB1487-92激光光学元件测试方法和ISO11245光学表面的激光诱导损伤阈值测试方法，采用N-ON-1损伤测试和有效光斑面积计算方法对芯径为400 μm的石英包层阶跃折射率石英光纤进行了损伤阈值测试。实验发现：光纤损伤部位全部为入射端面，利用200倍显微镜观察光纤端面，出现明显永久性损伤点。最后采用统计学原理和线性拟合等方法得出测试光纤的端面零概率损伤阈值为3.85 GW/cm²。     

改进型基于径向双折射晶体的超分辨滤波器

改进了现有的基于径向双折射晶体的横向超分辨滤波器.通过调整偏振器的偏振方向和晶体光轴之间的夹角,改进的滤波器可以实现更广的超分辨可调范围,并且在相同的条件下,相对于现有的连续振幅型超分辨光瞳滤波器,超分辨性能和焦深都有较大提高.改进的超分辨滤波器,为实际应用提供了更多方便.