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.     

Second-order Nonlinear Optical Properties of a Series of Azulene Derivatives

The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolarizabilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpolarizability β0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the, β0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the β0 value.     

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.     

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。     

意识

“花儿为什么这样红?……”花儿为什么有红、有黄、有白?自然界中物质为什么呈现五彩缤纷的颜色呢?这还得从电磁波谱说起。     

Spin-Polarized Tunnelling Magnetoresistance Effects in La0.833K0.167MnO3／SrTiO3 Polycrystalline Perovskite Manganites

A sample of La0.833K0.167MnO3-SrTiO3 (LKMO/STO) is fabricated by the sol-gel method. The microstructure,magnetic and transportation properties have been studied. X-ray diffraction patterns indicate that the structure of LKMO/STO is a homogeneous solid solution phase. The resistivity of LKMO/STO shows the insulator behaviour, which is different from La0.833K0.167MnO3 (LKMO) whose resistivity shows metal-insulator transition with decreasing temperature. The low-field (moH = 0.02 T) magnetoresistance decreases from 11% to 0.2% with the increasing temperature from 4 K‘to 220K for the LKMO/STO sample. The magnitude of magnetoresistance in a strong field (μoH = 5.5 T) almost increases linearly with decreasing temperature and reaches the maximum of 65% at the low temperature of 4.2K, which is much higher than that oE LKMO (40%). The enhanced low-field magnetoresistance effects are quantitatively explained by the spin-polarized tunnelling at grain boundaries.