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.     

Microwave Synthesis, Characterization and DNA-binding Properties of a New Cobalt（ Ⅱ ） Complex with 2,6-Bis（benzimidazol-2-yl）pyridine

A new cobalt(Ⅱ) complex with tridentate ligand 2, 6-bis (benzimidazol-2-yl)pyridine has been synthesized by microwave irradiation method and characterized by elemental analysis,electrochemical and spectral methods. The binding of the complex with calf thymus DNA has also been investigated by absorption and fluorescence spectra.     

Regioselective Synthesis of Multi-substituted Phenylselenomethyl Isoxazolines

A mild, regioselective 1, 3-dipolar cycloaddition protocol for the preparation ofphenylselenomethyl isoxazolines through substituted allyl phenyl selenides and nitrile oxides wasreported.     

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).     

The Isoelectric Point and the Points of Zero Charge of Fe-Al-Mg Hydrotalcite-like Compounds

The relation of the isoelectric point (IEP) and the point of zero net charge (PZNC) of the hydrotalcite-like compounds was discussed. It was found that the IEP does not equal to the PZNC and the IEP is higher than the PZNC. The structural positive charges existing in the HTlc,which cause the difference between the IEP and the PZNC. The effects of the structural positive charges of the HTlc on its IEP and PZNC are the same as the specific adsorption of metal cations.     

Crystal Structures of Two Potential Tumor Imaging Agents and Therapeutic Agents Copper（Ⅱ） Ternary Complexes with Salicylidene-tyrosinato Schiff Base and Nitrogen-donor Chelating Lewis Base

The crystal structures of two potential tumor imaging agents and therapeutic agents -copper(Ⅱ) complexes with salicylidene-tyrosinato Schiff base and nitrogen-donor chelating Lewis base, [Cu(sal-tyr)(bipy)] 1 and [Cu(sal-tyr)(phen)]2CH3OH 2 are presented. Our work is helpful to get deep understanding of novel 64Cu tumor imaging agents and therapeutic agents.     

在几何和参数上表示同一条曲线的两条有理NURBS曲线的权与控制顶点之间的关系

The paper discusses the relationship between weights and control vertices of two rational NURBS curves of degree two or three with all weights larger than zero when they represent the same curve parametrically and geometrically, and gives sufficient and necessary conditions for coincidence of two rational NURBS curves in non-degeneracy case.     

一维ZnO纳米结构的电子场发射研究

在大量制备一维ZnO纳米结构的基础上,研究了这些纳米结构的场发射性能。对于四角状ZnO纳米结构,获得1.0m Ac/m2的电流密度只需要4.5V/μm的电场;对于线状Z nO纳米结构,获得1.0mAc/m 2的电流密度需要6.5V/μm的电场。由于其特殊的结构,四角状ZnO一维纳米结构在真空电子器件方面有很好的应用前景。     

基于改进遗传算法的布局优化子问题

本针对子问题，构造了布局子问题(关于同构布局等价类)的改进遗传算法。将该算法应用于二维布局优化子问题，数值实验表明该算法能够在很好地保持图元的邻接关系的前提下找到子问题的最优解。由于布局优化问题可分解为有限个子问题，所以利用该算法可以找到整个布局优化问题的全局最优解。     

Implementation of secure digital communication by hyperchaoticsynchronisation

By active-passive-decomposition synchronisation, the application of the one-way coupled ring map lattice hyperchaotic system in secure digital speech communication is demonstrated. Synchronisation guarantees strong security and recovery without error