Synthesis and Crystal Structure of Di-n-butyltin(IV) Complex with 2-Oxo-propionic Acid (4-Pyridinecarbonyl) Hydrazone

Introduction The studies of diorganotin(IV) complexes are of current interest owing to their wide range of applica-tions such as biocides and homogeneous catalysts in industry.1 In recent years there have been more and more reports on the synthesis, antitumour activities and structural elucidation of various diorganotin(IV) deriva-tives of carboxylic acid.2-5 In particular, people take considerable interest in structural studies of diorgano-tin(IV) complexes of carboxylic acid, because there…     

潜热型热功能流体强化换热分析

本文建立了分析带有相变微胶囊的潜热型热功能流体的流动和换热过程数理模型,应用有限差分法和移动热源法进行联合求解。计算结果表明,相变微胶囊的加入:较好地提高了流体的换热性能。获得了相变颗粒大小和体积分数对强化换热影响等结果。计算结果对该类流体的设计和应用提供了理论依据。     

The Pharmacophore Hypothesis of Novel Inhibitors for Aurora A Kinase

A three-dimensional pharmacophore model was developed from a series of inhibitors of Aurora A kinase to discover new potent anti-cancer agents using the HypoGen module in the Catalyst software. The pharmacophore model was developed based on the structure of 20 currently available inhibitors, which were carefully selected from the literature. The best hypothesis （Hypo 1） was defined by four features： one hydrogen-bond donor and three hy- drophobic points, with the best correlation coefficient of 0.909, the lowest rms deviation of 1.563, and the highest cost difference of 99.075. The Hypo 1 was then validated by a test set consisting of 24 compounds and by a cross-validation of 95% confidence level through randomizing the data using the CatScramble program, which suggested that a predictive pharmacophore model had been successfully obtained.     

1.5次微分示波极谱法测定废液中的酚

现行测定酚的方法是用4-氨基安替吡啉比色法。该法最大的缺点是不能测定对位取代酚,并且由于酚类易被空气中的氧氧化,使得测定结果带来一定误差。本文采用极谱法进行测定,试图克服这些缺点。在1.0×10~(-5)mol/L NaOH底液中,用KMnO_4将酚氧化为醌后,醌在-1.2V(vs.SCE)产生灵敏的还原波,其波高与酚的含量在0.001～0.1mg/L范围内成线性关系。本法具备简便、快速、准确的特点。 1.仪器与试剂 MCP-1A(D)型微机化极谱仪;501型恒温槽。0.1mg/L苯酚水溶液;1.0×10~(-4)mol/L NaOH;1.0     

纳米碳酸锌的制备和热分解动力学参数的测定

Nanosized zinc carbonate was prepared in the droplet of nano-reactor based on microemusion. The influences of the concentration of the surfactant and reactant on the diameter of nanoparticles were studied and the kinetic pa-rameters of thermal decomposition reaction were determined. It can be shown from experimental results， the di-ameter of the droplet in the microemulsion which have dissolved reactant zinc nitrate and sal volatile is between 4.9nm and 7.7nm， 6.2nm and 12.4nm， respectively. Nanosized zinc carbonate prepared by the method of mi-croemusion has shown good dispersion， narrow distribution and light agglomeration. The particle size of nanosized zinc carbonate is between 5nm and 40nm， and its kinetic parameters of thermal decomposition reaction-activation energy E and reaction order n are 110kJ·mol^-1 and 0.9， respectively.     

Marino-Vafa公式的一个注记

曲线模空间上的Hodge积分自然地出现在使用局部化方法计算Gromov-Witten不变量的过程中.Marino-Vafa的一个惊人的公式将Hodge积分的一个生成函数表示为一些看起来和原本是代数几何对象的Hodge积分无关的组合和代数的量. 本文将公式直接展开并仔细估计所涉及的项, 最终证明除了一个特定类型,其余至多包含3个Hodge类的Hodge积分都可以由 Marino-Vafa公式计算. 这意味着大量有关模空间和Gromov-Witten不变量的信息包含在这一复杂的公式中. 给出了一些低亏格的例子, 这些例子与文献中的已有结果吻合. 在承认关于Hodge类的约化的Mumford关系的前提下证明和计算都是初等的.     

咪唑类酸性离子液体在Beckmann重排中的应用

以N-甲基咪唑和1,4-丁烷磺内酯反应制得1-甲基-3-磺酸丁基咪唑内盐（MBsIm）; MBsIm分别与H₂SO₄、 CF₃SO₃H和CF₃COOH反应合成了3种咪唑类酸性离子液体：1-甲基-3-磺酸丁基咪唑三氟甲烷磺酸盐（[MBsIm][OTf]）、 1-甲基-3-磺酸丁基咪唑硫酸氢盐（[MBsIm][HSO₄]）和1-甲基-3-磺酸丁基咪唑三氟乙酸盐（[MBsIm][CF₃COO]）,其结构经¹H NMR和¹³C NMR确证。并考察了其在液相Beckmann重排反应中的催化作用。结果表明：[MBsIm][OTf]Z-nCl₂体系的选择性和收率达99％以上,重复使用3次后,转化率维持在90%以上。     

两个4-连接配位网络的锌(Ⅱ)配位聚合物的合成、结构和荧光性质

以5-氨基四氮唑(HATz),异烟酸(HPyc)和ZnSO4·7H2O或Zn(NO3)2·6H2O为反应物,在DMF溶剂热条件下分别得到了2个锌(Ⅱ)配位聚合物{[(CH3)2NH2]·[Zn(ATz)(SO4)]}n(1)和{[Zn(ATz)(Pyc)]·0.5DMF}n(2),并对它们的组成和结构进行了表征。配合物1是由4-连接(4,4)网络拓扑的[Zn(ATz)(SO4)]nn-二维阴离子层和[(CH3)2NH2]+阳离子间通过氢键作用形成的二维波浪层结构。配合物2则是1个二重穿插的4-连接金刚烷拓扑的三维微孔金属-有机框架结构,客体DMF分子填充在孔道内。室温下的固体荧光实验表明,在350 nm的光激发下,配合物1和2分别在为445 nm和458 nm处出现强烈的荧光发射。     

Zn(Ⅱ)与5-氨基四氮唑和1,4-对苯二甲酸配位聚合物的溶剂可控合成

以5-氨基四氮唑（HATz）、1,4-对苯二甲酸（H₂BDC）和Zn（NO₃）₂为反应物,在水热条件下得到了1个二维层结构的Zn（Ⅱ）配位聚合物{[Zn₂（ATz）₂（BDC）（H₂O）₂] ·H₂O}_n（1）,而在N,N’-二甲基甲酰胺（DMF）溶剂热条件下得到了1个三维结构的Zn（Ⅱ）配位聚合物{[Zn₂（ATz）₂（BDC）（DMF）₂] }_n（2）. 通过元素分析、红外光谱、单晶X射线衍射和粉末X射线衍射等对它们的组成和结构进行了表征. 单晶结构分析结果表明,配合物1是以Zn（Ⅱ）离子作连接点、μ₂-ATz^-和μ₂-BDC^2-作连接子形成的3-连接（6,3）蜂窝型二维层结构,二维层之间再通过氢键作用形成三维超分子结构. 配合物2是以两羧基桥连的双核Zn（Ⅱ）单元[Zn₂（CO）₂] 作连接点、μ₂-ATz^-和μ₄-BDC^2-作连接子形成的6-连接简单立方格子的三维金属-有机框架结构. 室温固体荧光实验表明,在350 nm的光激发下,配合物1和2分别在451和466 nm处出现强烈的荧光发射.