HNO与（HF）1≤n≤3分子间的蓝移与红移氢键

运用量子化学从头算方法研究了HNO与分子簇(HF)1≤n≤3形成的蓝移与红移氢键.在这些体系中,F…H-N都是蓝移氢键,重极化与重杂化和分子内超共轭导敛了氰键的蓝移;所有的X…H-F(X=O,N,F)氢键都是红移的,分子问超共轭导致了氢键的红移.在多分子体系形成的氢键链中,分子问超共轭作用呈现规律性递变,它导致了氢键强度与频率位移的规律性变化,电子密度拓扑分析结果反映和支持了这种规律性变化.     

双4,6-二甲基嘧啶-2-巯基衍生物的水相合成

2-巯基-4,6-二甲基嘧啶与碘(或卤代烷)在水溶液中反应合成了4种双4,6-二甲基嘧啶-2-巯基衍生物,其结构经1H NMR,IR,MS,元素分析和单晶X射线衍射表征.     

Comparison Between the Effects of 2-Selenium Bridged β-Cyclodextrin and Ebselen on Treating SHRsp Stroke

A glutathione peroxidase（GPX） mimic, 2-selenium bridged β-cyclodextrin（2-SeCD）, was synthesized. In order to examine its role and mechanism in treating stroke we chose stroke-prone spontaneously hypertensive rats（SHRsp） as animal model. 56 SHRsps of 8-week olds were randomly divided into several groups： test groups （low, moderate, high dose of 2-SeCD） and control groups（positive and negative）. After onset of the stroke, the rats in test groups were orally administrated with different amounts of 2-SeCD, the positive control group with ebselen, and the negative control group with drinking water. The treatment lasted two weeks, followed by observation of the rats for 10 days, meanwhile blood pressure, biochemical parameters of plasma, and the contents of nitric oxide（NO） and malondialdehyde（MDA） in plasma and brain were determined. The results show that there were significant differences in contents of NO and MDA in plasma and brain between the test groups（high, moderate dose of 2-SeCD） and negative control group. The NO contents of the test groups were obviously higher than that of the negative control group （P〈0.01）. The MDA contents of the test groups（high, moderate dose of 2-SeCD） were obviously lower than that of the negative control group（P〈0.01）. The mechanism of 2-SeCD in treating stroke was discussed, which maybe related to the increase of NO and the decrease of MDA in plasma and brain tissue, but the exact mechanism should be further studied. Moreover, the tendencies of changes in systolic blood pressure, contents of NO and MDA, and other physiological parameters for the test groups were shown to be much better than the corresponding parameters for the positive group（the group with ebselen）（P〈0.05）, indicating that the treatment effect of 2-SeCD is better than that of ebselen.     

A Theoretical Study on Nonadiabatic Trapping Models of the Reaction NH H←→N H_2

ThehydrogenatomtransferreactionNH H-N H,isanimportantreactioninradicalreactionsandthegas-phrasethermatdecompositionofammonia.Therewereseveralstudiesonthisreactioninexperiment]andtheory='3.Inthispaper,wehaveemployedtheunifiedstatisticaltheory'(UST)tos...     

静动干涉流动的分离涡模拟研究

本文基于一种并行高精度的静动交接面处理方法,采用了SA模型及基于SA的分离涡模拟DES方法,进行了某压气机静动干涉流动的计算.研究表明对本文算例,在微小分离处,如20%到80%叶高处,DES与SA计算出的流动损失相差很小;而在大分离处,如叶根叶顶处,DES结果与SA差别较大,并且DES可更好地描述涡结构.在叶顶处,DES计算出比SA更强的泄漏流动,导致更大的损失.在叶根处,DES计算出了明显的静叶动态尾迹涡脱落现象,这一现象导致了与SA不一样的损失机理,即脱落涡与动叶头部相撞而产生时序效应,从而使计算损失较小.同时,本文研究结果与之前对孤立静叶的研究是相互验证的.     

气相色谱与气相色谱-质谱联用法对七氟醚降解产物的测定

七氟醚是一种新型临床麻醉剂,由于具有稳定性好,刺激性小,诱导麻醉迅速,恢复快,代谢能力强等优点,成功研制出后很快被推广应用.但有学者指出,七氟醚的降解产物氟甲基五氟丙烯醚(Compound A)对小鼠的肝肾功能具有损害作用[1],在人体内的毒性作用目前还没有明确的结论.为了观察Compound A降解量对人体肝肾功能的影响,本文建立了一种快速测定Compound A的气相色谱和气相色谱一质谱联用法.     

线性规划中大M法的参数M估值问题

在线性规划的单纯形法中,为求初始的可行基有著名的大M法,即惩罚因子法.在通常的运筹学教材中,只说明当M充分大时,大M法是有效的,并没有给出参数M的确切估计值.现给出一个确定的常数M0,并证明当M>M0时,大M法收敛于原问题的最优解.     

Beam Polarization Dependence of Diffraction Efficiency in Photorefractive LiNb03 Crystal

In weak doped photorefractive LiNbO3 crystal, the diffraction efficiency is highly relevant to the writing and reading beam polarizations. In this paper, based on dynamic coupled-wave equations, we theoretically discuss the diffraction efficiency under four writing and reading polarization conditions, then reach the proven conclusion that with o-polarized beams to write and with e-polarized beam to readout, the diffraction is the largest.     

890 mW Diode Pumped Nd:YVO4 Intracavity-doubled Red Light Laser

A diode-pumped Nd3+:YVO4 emitting at 1342 nm and 671 nm was developed. Low concentration neodymium doped Nd:YVO4 shows excellent stability at 1342 nm. With a type-Ⅱ noncritical phase-matched LBO crystal as the intracavity frequency doubler, 890 mW of 671 nm light was obtained at 11.2 W incident pumping power, the optical-optical conversion efficiency is 7.9%.