Shape-controlled synthesis of nanocrystalline titania at low temperature

The interesting shape (shuttle-like, sphere with needles, uniform particles) rutile titania were prepared by the hydrolysis of TiCl₄ in high acidic aqueous solution in the absence or presence of PEG-1000. PEG-1000 acted as dispersant, which could control the shape and size of the precipitate of titania. As a result, shuttle-like nanocrystalline appeared and the aggregation was improved with the increase of the amount of acid and the decrease of the concentration of TiCl₄ in the absence of PEG-1000. Uniform nanoparticles were obtained in the presence of PEG-1000 and the diameter of the particles decreased with increasing the amount of PEG-1000. This process simplification will lower production cost and make continuous process possible. The products were analyzed using X-ray diffractometer, transmission electron microscopy.     

考虑通货膨胀与最长顾客等待时间的变质性物品的库存模型

本文建立了一种考虑通货膨胀与时间价值的变质性物品的库存模型,在模型中允许短缺发生且拖后的需求速率与在缺货期间已经发生的缺货量有关.和已有相关模型的主要区别在于本模型把一个可重复的订货周期内的最大平均利润的净现值作为目标函数,且增加了在缺货期间最长顾客等待时间的限制,以确保库存系统拥有较高的服务水平.然后讨论了模型最优解的存在性与唯一性,并提供了寻求模型整体最优解的算法.最后用实例说明了此模型在实际中的应用.     

基于零点的函数K图和dj图的转换

介绍了函数的最大项展开式和CRM展开式及其图形表示，提出函数K图和dj图的零点的概念，并以此为基础讨论了基于零点的函数K图和dj图之间的转换方法。     

Polymerization of cyclopentadiene initiated by methylaluminoxane

The polymerization of cyclopentadiene (CPD) was effectively initiated by methylaluminoxane (MAO) to generate poly(cyclopentadiene) (polyCPD). The effects on the polymerization of some reaction parameters such as the monomer concentration, the initiator concentration, and solvents were investigated. The conversion of CPD was monitored with gas chromatography to investigate the reaction kinetics. The polymerization rate was proportional to the concentrations of MAO in the first order and of the CPD monomer in the second order, and a reasonable cationic polymerization mechanism was suggested on the basis of the kinetic study. PolyCPD obtained at a low temperature could be dissolved in toluene or chloroform, and this indicated lower cross‐coupling during the polymerization reaction. ¹H NMR and IR analysis of the polymer indicated that there were almost equal amounts of 1,2‐enchainment and 1,4‐enchainment in the polymer chain. The measurement of polyCPD showed its unique properties as a potential candidate for stable wrappings or electronic packaging materials. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 264–272, 2006     

Spurious Shell Closures in the Relativistic Mean Field Model

Following a previous systematic theoretical study of the ground-state properties of over 7000 nuclei from the proton drip line to the neutron drip line in the relativistic mean field model [Prog. Theor. Phys. 113 （2005） 785], which is in fair agreement with existing experimental data, we observe a few spurious shell closures, i.e. proton shell closures at Z = 58 and Z = 92. These spurious shell closures are found to persist in all the effective forces of the relativistic mean field model, e.g. TMA, NL3, PKDD and DD-ME2.     

LIMITING BEHAVIOR OF UNIFORM RECURSIVE TREES

The authors consider the limiting behavior of various branches in a uniform recursive tree with size growing to infinity.The limiting distribution ofζ_(n,m),the number of branches with size m in a uniform recursive tree of order n,converges weakly to a Poisson distribution with parameter 1/m with convergence of all moments.The size of any large branch tends to infinity almost surely.     

A Convenient Method for the Stereoselective Synthesis of 7αHydroxycholesterol

7-Hydroxyderivativesofcholesteroldisplayawidevarietyofbiologicalactivities'-',mostofwhicharerelatedtothephysiologicalcontrolofcholesterolbiosynthesisandantitumoractivity.Inearlyreports',the7-hydroxycholesterolswerepreparedbythesequenceofacetylation,allylicchromicoxidation,andhydridereduction.Generally,theproductisamixtureof7a-and76-epimerswhichisdifficulttobeseparated.V.Kumaretal5improvedthisprocedurebyusingstereospecificreducingreagentsinsteadofthesimplehydride.7a-and7o-epimerscouldbeobtained…     

氯化π-单取代环戊二烯基镍(Ⅱ)的双齿膦配合物合成和催化

合成了化学式为[(η~5一RC_5H_4)NiPh_2P(CH_2).PPh_2]Cl的六个配合物(式中R=Me,Et;n=2(dppe ).n=3(dppp),n=4(dppb).并用IR和~1H NMR对其进行了表征.考察并讨论了它们对苯基溴化镁与氯化苄和反式-均二氯乙烯交叉偶联反应的催化活性.     

遗传算法在构象搜寻中的应用

遗传算法是一种模仿自然进化进程的新颖的启发式优化方法。通过它，人们可以在计算机上对所需的各种问题实施进化操作，最终产生理想的结果。遗传算法现已被广泛于计算机辅助设计、工程设计、系统模拟等领域并取得了极大的成功。本文拟对遗传算法在对大、中、小分子的构象搜寻中的应用作一较全面的综述。