基质金属蛋白酶抑制剂设计的研究进展*

基质金属蛋白酶(MMP) 是一类含锌的水解酶, 过量的MMP会加速细胞外基质的降解并导致一系列的疾病, 例如癌症、关节炎和多发性硬化症等。因此MMP抑制剂的研究已成为药物设计研究领域中的一个热门课题。近年来, 科学家们发展了三种分子设计的方法, 包括基于底物的药物设计、基于结构的药物设计和组合化学技术。本文介绍了这些方法的原理及其在MMP抑制剂设计中的应用和进展。     

基于多指示剂的宽范围离子分析识别技术与应用

采用多指示剂聚合构成的离子分析物识别器,加上人工神经网络数据处理,构成一种新型宽范围离子分析识别技术,能有效扩大对离子的敏感范围,解决光纤化学传感器普遍存在的识别范围小的缺点。对氢离子的分析试验验证了该方法的有效性。     

Distribution of Vibrational Energy Levels of Protein Molecular Chains

The distributions of the quantum vibrational energy levels of the protein molecular chain are found by the discretely nonlinear Schoedinger equation appropriate to protein obtained from the Davydov theory.The results calculated by this method are basically consistent with the experimental values.Furthermore,the energy spectra at high excited states have also been obtained for the molecular chain which is helpful in researching the properties of infrared absoption and Raman Scattering of the protein molecules.     

原子氧在Ru低指数面及(1120), (1121)台阶面上的吸附

利用原子与表面簇合物相互作用的5参数Morse势方法(简称5-MP)系统地研究了O-Ru低指数面及Ru(1120), (1121)台阶面体系, 获得了吸附几何、结合能、振动频率等临界点特性, 所得相关数据与实验结果非常吻合. 并且通过理论计算及原子吸附态振动指纹的遗传、遗变特性预言了氧原子在Ru(1121)台阶面的吸附. 本文认为氧原子在HCP晶格的金属表面上的吸附倾向于三重位.     

原子受激态的Stokes参数分析

根据密度矩阵理论,导出了受激原子态P态密度矩阵元和P态退激辐射的光子密度矩阵元的Stokes参数,它们之间存在一种非常简单直接的关系,说明在电子-光子符合散射实验中,通过测量光子的Stokes参数,就可以描述受激P态电荷云分布和散射过程的动力学。According to the density matrix theory, the density matrix of photon emitted from excited atom P state and of P state were introdued in this paper. There were a simple direct relation between the two density matrices, which shows that the electron cloud shape of excited atomic state and scattering dynamics can be described through the observable Stokes parameters of photon in electron-photon coincidence experiment.     

C/O能谱测井非弹谱的解析方法软件及应用

报道了快中子非弹性散射γ能谱测井, 非弹γ谱的新解析方法软件及应用. 新的解析方法包括:以标准非弹γ谱为基础, 对用NaI(Tl)探测器记录的256道地层非弹γ谱, 作定量解析, 求出各主要元素产额的方法; 以及求新的C/O和Ca/Si比的方法. 可同时求出三种C/O和Ca/Si比值, 即碳氧产额比、 重量百分含量比和原子比;钙硅比也如此. 所设计的软件功能强, 对于孔隙度为35％、 100％油饱和砂岩地层与100％水饱和砂岩地层（刻度井模型地层）, 碳氧原子比之差值>0.33, C/O测井油水差值提高了60％以上, 并求得了地层的含油饱和度. 取得了国内首创和领先的成果. In this paper, the new analyzing method & software and applications of enelactic spectra from Carbon/oxygen spectrometry log is reported. It were included that enelastic Gamma ray spectra(256 channels)of the formations by NaI(Tl) detector were analyzed quantitatively based on standard enelastic spectra, the methods which the ratio of elements yields and new ratio of C to O & of Ca to Si, the ratio of yield of C to O and the ratio of weight percent of C to O and the ratio of atoms C to O were found, and the corresponding ratio of Ca to Si were found simultaneously in new analyzing method. The difference value of the ratio of atoms C to O is greater than 0. 33 between 100% oil saturation and 100% water saturation in sandstone formation for porosity is thirty fife percent. The difference value between oil and water increase by a factor of 60%. In addition oil saturations curves changed with the depth were computed.     

含甲氧基偶氮苯液晶基元超分子的相行为研究

氢键是分子聚集和识别过程中的重要相互作用,利用分子间氢键,可设计并制备各种超分子体系材料,1989年,Kato等报道了吡啶基和羧酸基通过分子间氢键相互作用形成扩展液晶基元,得到了液晶稳定性增强的超分子液晶复合体系及侧链超分子液晶聚合物;同时,Lehn等报道了带脲嘧啶基和2,6-二酰胺吡啶基两种互补官能团的分子通过三重氢键缔合形成的主链超分子液晶。从此,迅速而广泛的开展利用氢键组装的超分子液晶体系的研究,并已组装合成出低分子型、     

三角和∑xe2πif(x)-同余性质的另类模型

同余性质是同余理论的核心,深刻揭示其性质除用已有的数学模型外,还可以用另类模型一三角和∑xe2πif(x)来揭示.     

电感耦合等离子体原子发射光谱法测定贵金属及合金中微量金和铁

介绍了用电感耦合等离子体原子发射光谱(ICP-AES)测定铂、钯及合金中微量金和铁的方法.从测量条件选择,谱线选择、基体影响等进行了试验.精密度和准确度结果表明,方法快速、准确,可以满足铂、钯及合金中金和铁的测定要求.相对标准偏差小于10%,回收率为90%～102%.