A Large Conformational Change of a Bridged b-Cyclodextrin Dimer in Aqueous Solution

As artificial enzymes, the binding constants of cyclodextrins (CDs) and their substrates are expected to be high1. For this purpose, many kinds of bridged cyclodextrin dimers2 whose two cyclodextrins are linked by various spacers have been constructed. It was of interest to make the dimers, whose binding constants would exceed 108dm3/mol3. Up to date, the bridged cyclodextrin dimers have been extensively studied as enzyme models and as molecular receptors4-6. Recently, we synthesized a brid…     

Synthesis of optically active 6-substituted 2-(aminomethyl)chromans

Three novel, optically active, 6-substituted 2-(aminomethyl)chromans were synthesized from readily available chroman 2-carboxylic acid precursors. These chroman-containing primary amines are useful building blocks for the synthesis of chroman-derived pharmaceutical agents.     

Least‐squares meshfree method for incompressible Navier–Stokes problems

A least‐squares meshfree method based on the first‐order velocity–pressure–vorticity formulation for two‐dimensional incompressible Navier–Stokes problem is presented. The convective term is linearized by successive substitution or Newton's method. The discretization of all governing equations is implemented by the least‐squares method. Equal‐order moving least‐squares approximation is employed with Gauss quadrature in the background cells. The boundary conditions are enforced by the penalty method. The matrix‐free element‐by‐element Jacobi preconditioned conjugate method is applied to solve the discretized linear systems. Cavity flow for steady Navier–Stokes problem and the flow over a square obstacle for time‐dependent Navier–Stokes problem are investigated for the presented least‐squares meshfree method. The effects of inaccurate integration on the accuracy of the solution are investigated. Copyright © 2004 John Wiley & Sons, Ltd.     

Synthesis and structural characterization of novel,fluorinated poly(phthalazinone ether)s containing perfluorophenylene moieties

The synthesis and structural characterization of a series of novel, fluorinated poly(phthalazinone ether)s containing perfluorophenylene moieties are described. The monomers, 4‐(4′‐hydroxyaryl)phthalazin‐1(2H)‐ones ( 2a – 2d ), were conveniently and efficiently synthesized from phenols and phthalic anhydride in two steps via 2‐(4′‐hydroxybenzoyl)benzoic acids, which were first obtained by the Friedel–Crafts reaction in good yields and with high stereoselectivity and were then converted into 2a – 2d by fusion with hydrazine. All the polymers were prepared by nucleophilic aromatic substitution (S_NAr) polycondensation between the compounds perfluorobiphenyl and 4‐(4′‐hydroxyaryl)phthalazin‐1(2H)‐ones ( 2a ‐ 2d ). The resulting fluorinated polymers were readily soluble in common organic solvents (e.g., CHCl₃, tetrahydrofuran, dimethylformamide, dimethyl sulfoxide, N‐methylpyrrolidone, etc.) at room temperature. Their weight‐average molecular weights and the polydispersities ranged from (7.96–18.25) × 10³ to 1.31–2.71, respectively. Their glass‐transition temperatures varied from 213 to 263 °C. They were all stable up to 390 °C both in air and in argon. The 5% weight‐loss temperatures of these polymers in air and argon ranged from 393–487 to 437–509 °C, respectively. Wide‐angle X‐ray diffraction studies indicated they were all amorphous and could be attributed to the presence of kink nonplanar moiety, phenyl phthalazinone along the polymer backbone. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 925–932, 2004     

Behavior and surface energies of polybenzoxazines formed by polymerization with argon,oxygen, and hydrogen plasmas

Polybenzoxazine (PBZZ) thin films can be fabricated by the plasma‐polymerization technique with, as the energy source, plasmas of argon, oxygen, or hydrogen atoms and ions. When benzoxazine (BZZ) films are polymerized through the use of high‐energy argon atoms, electronegative oxygen atoms, or excited hydrogen atoms, the PBZZ films that form possess different properties and morphologies in their surfaces. High‐energy argon atoms provide a thermodynamic factor to initiate the ring‐opening polymerization of BZZ and result in the polymer surface having a grid‐like structure. The ring‐opening polymerization of the BZZ film that is initiated by cationic species such as oxygen atoms in plasma, is propagated around nodule structures to form the PBZZ. The excited hydrogen atom plasma initiates both polymerization and decomposition reactions simultaneously in the BZZ film and results in the formation of a porous structure on the PBZZ surface. We evaluated the surface energies of the PBZZ films polymerized by the action of these three plasmas by measuring the contact angles of diiodomethane and water droplets. The surface roughness of the films range from 0.5 to 26 nm, depending on the type of carrier gas and the plasma‐polymerization time. By estimating changes in thickness, we found that the PBZZ film synthesized by the oxygen plasma‐polymerization process undergoes the slowest rate of etching in CF₄ plasma. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 4063–4074, 2004     

一种新颖的用于光腔模式及光束传输模拟的特征向量法

根据有限元法单元划分的思想，提出了一种新颖的模拟光腔模式及光束传输的特征向量法. 该方法的关键之处在于基于衍射积分理论构造了一种新的光束传输矩阵，通过求解特征矩阵方程可一次性得到谐振腔的一系列特征向量，每一列特征向量即代表了腔镜上光场的一个确定模式的振幅及相位分布. 并可采用该方法模拟光场传输到腔内或腔外任意地方的场分布. 该方法将传统方法中大量的迭代过程转化成为本征积分方程特征向量的求解过程，并与初值取值无关，且可一次性求得多个模式分布，从而可方便地分析谐振腔的模式鉴别能力. 特征向量法对圆形镜共焦 关键词： 谐振腔 特征向量法 模式分布     

三维光晶格中玻色凝聚气体基态波函数及干涉演化

基于Gross-Pitaevskii方程，运用有效化学势概念，研究了囚禁在组合势(由磁阱和三维光 晶格组成)中玻色凝聚气体在三维光晶格中的分布规律，并由此得到玻色凝聚气体的归 一化基态波函数.在取消组合势和仅取消光晶格而保留磁阱的两种情况下，运用传播子方 法求解出玻色凝聚气体密度分布的解析表达式.取消组合势后，理论计算所得到的玻色凝聚 气体聚随时间的演化规律与Greiner等的实验结果相一致.仅取消光晶格而保留磁阱时，研 究表明玻色凝聚气体的干涉模式呈现周期性的振荡行为.此外，在磁阱为各向异性的情况下 ， 关键词： 玻色凝聚气体 磁阱 光晶格 干涉模式     

利用普通视频CCD作为紫外激光和软X射线探测器的研究

 介绍了利用价格便宜的普通视频CCD来获取紫外激光和软X射线图像的方法和应用结果，以代替价格昂贵的紫外CCD、使用不方便的X光胶片或者昂贵的X光CCD，其关键点是：（1）去除CCD相机的自动增益校正；（2）将相机的校正系数γ值设置为1；（3）去除CCD相机前面的保护窗。作为一种简易的装置，可以用于紫外激光测量及激光与等离子体相互作用研究。结果表明，采用改造后的普通视频CCD测量紫外激光光斑，准确可靠，其灵敏度比科学级紫外CCD的低一个量级，它还可以测量软X射线的二维分布，作为X光针孔相机使用非常方便。     

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.     

Isolation of 2-Chloro-5-methylpyridine from its Isomer 2-Chloro-3-methylpyridine by Formation of its Copper(II) Complex

2-Chloro-5-methylpyridine is an important intermediate for the preparation of biological active compounds, especially insecticides1, e.g. imidacloprid2, and is usually manufac- tured from 3-methylpyridine N-oxide. However, the manufacturing process also forms the by-products: 3-methylpyridine and its isomer 2-chloro-3-methylpyridine3. The pro- perties of the isomers are similar, it is difficult to separate by ordinary methods, such as distillation. Scheme 1 79.4%13.6%5.2%NClCH3NCH3ClNC…