Fluorinated polysilanes. Palladium catalyzed 1,4-addition of fluorodisilanes to conjugated diene and enone systems

In the presence of palladium complexes as catalysts, fluorinated disilanes add to 1,3-dienes, metehyl vinyl ketone and p-benzoquinone to give mainly 1,4-addition products.     

Synthesis and applications of photochromic fulgides in optical information storages

A pyrryl substituted photocbromic fulgide, (1-p-methoxyphenyl-2-methyl-5-phenyl)-3-pyrryl-ethylidene (isopropylidene) succinic anhydride, was synthesized. Its chemical structure was identified by IR, 1H NMR MS and elemental analysis. The title compound was used to prepare the optical disks by the spin coating method and the vacuum evaporation method. The results of the static state examination show that the optical disks prepared with this kind of molecules possess excellent thermal stability and fatigue resistance, i.e. over 450 writing-erasing recycles, the relative contrast between writing state and erasing state remains at 40%.     

基于支持向量机的羰基化合物红外光谱研究

设计了一个4层分等级分类系统，通过支持向量机技术对羰基化合物的红外光谱成功地进行了信息分类和提取，并与人工神经网络进行比较，结果表明：支持向量机对羰基类化合物红外光谱分类效果优于人工神经网络；另外详细探讨了表征酰胺类化合物的特征光谱峰片段对识圳伯仲叔酰胺的影响，证明了酰胺的N-H伸缩振动峰对识别伯仲叔酰胺贡献最大，为构建红外光谱智能解析系统提供了定量依据。     

Piezoelectric Fiber－optic Spectroelectrochemistry──A New Technique of Spectroelectrochemistry in Combination With Piezoelectric Quartz Crystal Detection

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Coated-wire organic ion-selective electrodes in titrations based on ion-pair formation : Determination of arenediazonium salts with sodium tetraphenylborate

Titrimetric determinations of arenediazonium salts can be based on ion-pair formation between the diazonium cation and tetraphenylborate. Titrations are done under cooling with ice and are followed potentiometrically with organic ion-selective electrodes comprising PVC membranes plasticized with polar solvents and coated on aluminium wires. The method was tested in determinations of arenediazonium salts derived from 20 aromatic amines, including aniline, toluidines, naphthylamines and their derivatives. Except for compounds containing hydrophylic groups such as —COOH and —OH, the potentiometric titration curves have well defined end-points. The results are reproducible, with relative standard deviations in the range 0.4–1.4% at the millimolar level. The method can be used for reliable determinations of arenediazonium salts in analytical control of azo dyestuff production.     

Order,disorder, and geometrical information indices of molecules

Structural features of various molecular systems with symmetry of point groups ranging fromC ₁ to the icosahedral symmetry are analyzed in the framework of the model suggested previously for the evaluation of order and disorder in the arrangement of atoms in a molecule based on the equationQ = I -P/3n (whereQ is the index of order, andP is the number of independent coordinates needed to fix ann-atomic molecule in the Cartesian coordinate system). TheQ value depends on various structural parameters of the molecule: the number of atoms in it, the symmetry, the dimensionality, and the number of structural degrees of freedom. The disorder indexP/3n = 1 -Q correlates with Shannon's entropy of information, andQ correlates with negentropy or excess information; this makes it possible to useP/3n as a new geometrical information molecular index that is obtained by a nonprobabilistic method. Analysis of the relationship between order and chaos in molecular systems, as well as of the specific order indexq =Q/n, makes it possible to identify both general and specific features of molecules.Translated from Izvestiya Akadernii Nauk. Seriya Khimicheskaya, No. 8, pp. 191219-121927, August, 1996.     

Random walks on inhomogeneous lattices

For lattices with two kinds of points (black and white), distributed according to a translation-invariant joint probability distribution, we study statistical properties of the sequence of consecutive colors encountered by a random walker moving through the lattice. The probability distribution for the single steps of the walk is considered to be independent of the colors of the points. Several exact results are presented which are valid in any number of dimensions and for arbitrary probability distributions for the coloring of the points and the steps of the walk. They are used to derive a few general properties of random walks on lattices containing traps.Presented at the Symposium on Random Walks, Gaithersburg, MD, June 1982.     

环境监测实验室管理系统的开发与应用

基于2005版《计量认证/审查认可(验收)评审准则》要求,为满足环境监测实验室业务流程而设计开发了信息管理系统。该系统主要用于环境监测实验室的资源管理和日常自动化办公。系统采用B/S架构,实现全球化办公运作,能对监测样品的受理、分发、分析、原始记录、监测报告、数据三级审核、报告签发实现全程自动流转,并运用工作流和智能表单设计实现实验室程序文件中各类程序和日常办公事务流程的执行;原始记录和监测报告全部实现自动归档及智能查询;同时根据2005版准则中的要求,对人员、设备、材料、环境要素、记录、质量控制等所有要素全面实施网络化管理。     

纳米分辨率的三维形貌检测仪

从光干涉方式，瞳窗关系和光源带宽等基本关系出发，利用空间不变系统理论解析了相移显微干涉检测系统中衍射效应的影响。为了减小横向分辨率对纵向分辨率的影响，利用相关信息提取或数字滤波的方法，获得了纳米分辨率的三维形貌。     

信息拓扑指数与烷烃分子热力学性质的关系

Two topological information indices were constructed based on Randic and Wiener indices, and the values of topological information indices for 85 alkanes were calculated. The thermodynamic properties such as the standard enthalpies of formation, the standard entropies and the standard free energies of formation for these alkanes were also correlated with these topological and information indices. It is found that the thermodynamic properties calculated for both gaseous and liquid states of the 85 alkanes are in excellent agreement with the experimental values through the regression analysis.