The First Intramolecular Charge Transfer Transition Based on 2-Ureido-4[1H]-pyrimidinone Binding Module

The first intramolecular charge transfer transition based on 2-ureido-4[1H]-pyrimidinone binding module was reported.     

Solid Phase Synthesis of 2-Substituted 1,3-Oxazin-6-ones Using Resin-bound Cyclic Malonic Acid Ester

A facile solid phase synthesis of 2-substituted 1,3-oxazin-6-ones using polymer-supported Meldrum‘s acid has been reported. Reaction of the resin-bound cyclic malonic acid ester with triethyl orthoformate and subsequent double substitution with amide, afforded the corresponding polymer-supported acylaminomethylene cyclic malonic acid ester, which upon thermal treatment led to 1, 3-oxazin-6-ones in good yields and with high purity.     

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.     

An Unusual Reductive Ring-opening Reaction of Phthalimide with Sodium Hydride in DMF

An unusual reductive ring-opening reaction of phthalimide with sodium hydride in anhydrous DMF was observed for the first time. The presumed mechanism was described in detail.     

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.     

3-正则图的分割问题是NP-完全问题

证明了3-正则图的最小平分问题和最小α-分割问题都是NP-完全问题.     

6p2阶的三度半对称图

正则图G 称为G-半对称图, 如果G 的自同构群A := AutG 有一个子群G在G 的边集上传递, 但在其点集上不传递, 特别地, 当G= A时Γ 称为半对称图. 本文旨在考察素数度的(G-)半对称图. 首先给出了素度数的(G-)半对称图的群论刻画, 其次对6p²阶的三度半对称图进行了完全分类, 其中p是奇素数.     

高应变率下U-Nb合金的断裂组织特征

利用内部爆炸加载方法对U-Nb合金进行爆破试验，对爆破试验产生的破片进行回收，并对U-Nb合金破片进行一些微观检测分析，从而初步研究在爆炸加载下U-Nb合金的微观断裂机制。     

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．     

微模塑法制备PMMA/SiO2二氧化硅杂化材料微结构

以摩尔比为 1∶1的甲基丙烯酸甲酯 (MMA)、甲基丙烯酸 (3 三乙氧基硅烷基 )丙酯 (ESMA)单体、0 .2 %(单体总量的质量分数 )的偶氮二异丁腈AIBN引发剂和四氢呋喃 (THF)溶剂 ,及 2 0 % (总质量分数 )的正硅酸乙酯TEOS合成出PMMA/SiO2 有机 无机杂化的杂化溶胶 .将溶胶在洗净的普通光学玻璃基片表面甩膜 .利用软刻蚀中的微模塑法 ,把有机硅弹性印章复制有精细图纹一面轻放在杂化溶胶膜上进行微模塑 ,外加 1N压力于12 0℃下处理 2h使溶胶凝胶化 .印章剥离后在基片表面就形成了PMMA/SiO2 有机 无机杂化材料的微图纹结构 .从微图纹的光学显微镜照片可以看出微模塑方法制备杂化材料复制的图纹精细度高 ,操作简单易行 ,是一类比较理想的微细图纹结构加工的方法 .