Acetalation and Ketalation Catalyzed by SO42-/TiO2-MoO3

The catalytic activities of SO42-/TiO2-MoO3 in synthesizing cyclohexanone ethylene ketal,cyclohexanone 1,2-propanediol ketal, 2-propyl-1,3-dioxolane, 4-methyl-2-isopropyl-1,3-dioxolane,2-isopropyl-1,3-dioxolane, 4-methyl-2-isopropyl-1,3-dioxolane, butanone ethy-lene ketal and butanone 1,2-propanediol ketal were reported. It has been demonstrated that SO42-/TiO2-MoO3 is an excellent catalyst. Various factors concerned in this reaction have been investigated. The optimum conditions have been found, that is, the molar ratio of aldehyde/ketone to alcohol was 1:1.5 or 1:1.3,the mass ratio of the catalyst used to the reactants was 0.25～1.5%, and the reaction time was 45～60 min. Under this conditions, the yield of cyclohexanone ethylene ketal is 82.7%, cyclohexanone 1,2-propanediol ketal is 83.4%, the yield of 2-propyl-1,3-dioxolane is 68.1%,4-methyl-2-isopropyl-1,3-dioxolane is 87.5%, the yield of 2-isopropyl-1,3-dioxolane is 70.7%,4-methyl-2-isopropyl-1,3-dioxolane is 82.5%, the yield of butanone ethylene ketal is 74.1%, and butanone 1,2-propanediol ketal is 94.9%.Some equation and experiment results concerned of the synthetic acetals or ketals were listed as follows.     

Hydrothermal Synthesis and Characterization of a Novel Two-dimensional Framework Materials Constructed from Polyoxometalate and Coordination Groups: [H_2Mo_(5.5)V_(10.5)O_(40)(PO_4)][Cu(en)_2]_4·7H_2O

IntroductionPolyoxometalatesarewidelystudiedfortheirin terestingapplicationsincatalysis ,electronicconduc tivity ,magnetism ,nonlinearopticsandmedicine[1— 4 ] .Whilethemechanismofthesynthesisofpolyoxometalatesremainselusiveandisoftende scribedasself assembly ,thereseemstobeanincreas inguseofthecombinationofthehydrothermalmethodandthestructure directingtemplate .There searchwiththismethodhasdemonstratedthatanum beroftransitionmetaloxides ,typicallyreducedmolybdenumoxides ,mixedvalancevanadiumo…     

Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

Metabolites of A Novel Antibiotic Bitespiramycin in Rat Urine and Bile

A sensitive analytical method to identify active metabolites of bitespiramycin in rat urine and bile was developed by liquid chromatography-electrospray ionization tandem mass spectrometry(LC/ESI-MS^n).Bitespiramycin and its major active metabolites in rat urine and bile were isolated and identified as M1 serial(spiramycin Ⅰ，Ⅱ，Ⅲ),M2 serial(platenomycin A1,josamycin and leucomycin A1) and M3 serial(deisovalerylplatenomycin A1,deisovaleryljosamycin,deisovalerylleucomycin A1).     

Synthesis and Photochemical Properties of a New Substituted Phenol Covalently Linked to Ruthenium （Ⅱ） Tris-bipyridine Containing Four Ester Groups as Sensitizer

As photosensitizer for solar cell, a new ruthenium (Ⅱ) complex with four ester groups had been synthesized, in which a phenol substituted by {[(2-hydroxy-5-tert-butylbenzyl)(pyridyl-2-methyl)amino]methyl} is covalently linked to ruthenium (Ⅱ) tris-bipyridine. The structures of the new compounds were confirmed by NMR and ESI-MS spectra. The electrochemical and photochemical properties were also studied.     

Studies on the Adsorption of Asymmetrical Triblock Copolymers by Scheutjens-Fleer Theory and Monte Carlo Simulation

The adsorption of asymmetrical triblock copolymers from a non-selective solvent on solid surface has been studied by using Scheutjens-Fleer mean-field theory and Monte Carlo simulation method on lattice model. The main aim of this paper is to provide detailed computer simulation data, taking A8-kB20Ak as a key example, to study the influence of the structure of copolymer on adsorption behavior and make a comparison between MC and SF results. The simulated results show that the size distribution of various configurations and density-profile are dependent on molecular structure and adsorption energy. The molecular structure will lead to diversity of adsorption behavior. This discrepancy between different structures would be enlarged for the surface coverage and adsorption amount with increasing of the adsorption energy. The surface coverage and the adsorption amount as well as the bound fraction will become larger as symmetry of the molecular structure becomes gradually worse. The adsorption layer becomes thicker with increasing of symmetry of the molecule when adsorption energy is smaller but it becomes thinner when adsorption energy is higher. It is shown that SF theory can reproduce the adsorption behavior of asymmetrical triblock copolymers. However, systematic discrepancy between the theory and simulation still exists.The approximations inherited in the mean-filed theory such as random mixing and the allowance of direct back folding may be responsible for those deviations.     

单调全局最优化问题的凸化外逼近算法

单调优化是指目标函数与约束函数均为单调函数的全局优化问题．本文提出一种新的凸化变换方法把单调函数化为凸函数，进而把单调优化问题化为等价的凸极大或凹极小问题，然后采用Hoffman的外逼近方法来求得问题的全局最优解．我们把这种凸化方法同Tuy的Polyblock外逼近方法作了比较，通过数值比较可以看出本文提出的凸化的方法在收敛速度上明显优于Polyblock方法．     

模拟纳米晶体原子分布及X射线散射理论图案

通过分子动力学方法模拟纳米晶体（1—3nm）的结构．利用模拟的结果，进行了X射线衍射及径向分布函数的模拟计算．结果表明：纳米晶体晶界呈短程有序，界面原子间距分布很宽；随着晶粒尺寸的减小，晶粒的畸变越大，原子体积常数也明显增大 关键词：     

A Note on Geometric Structures of Linear Ordered Orthogonal Arrays and (T,M,S)-Nets of Low Strength

The equivalent geometrical configurations of linear ordered orthogonal arrays are determined when their strengths are 3 and 4. Existence of such geometrical configurations is investigated. They are also useful in the study of (T, M, S)-nets.     

防紫外线伞ATR-OMNI采样器的FTIR分析

本实验使用OMNI采样器，直接对伞面内外进行单反射ATR的分析，快速、简便、不破坏样品，得到分辨率很好的红外图谱，再配合红外谱库的谱图检索，可以分别得到匹配率95％以上的尼龙－6和聚酯型聚氨酯的分析结果。