双环[2，2，1]庚-5-烯-2-甲酰基芳香醛腙的合成和生物活性

合成了七个未见文献报道的双环[2，2，1]庚-5-烯-2-甲酰基芳香醛腙席夫碱 类化合物。用核磁共振氢谱、红外光谱和元素分析对新化合物进行了表征，考察了 它们的生物活性。结果表明某些化合物具有除草作用、抗菌作用和植物生长调节作 用。     

Pd-catalyzed synthesis of beta-biarylacryl ferrocenes via Suzuki cross-coupling

Some novel beta-biarylacryl ferrocene derivatives were synthesized via Pd-catalytic Suzuki cross-coupling reactions of beta-(2-bromophenyl)acrylferrocene and arylboronic acids. The structures were determined with elemental analyses, IR spectra, and (1)H-NMR spectra.     

N,Fe, La三掺杂锐钛矿型TiO2能带调节的理论与实验研究

采用基于密度泛函理论(DFT)的平面波超软赝势方法(PWPP), 利用Material studio 计算N, Fe, La三种元素掺杂引起的锐钛矿TiO₂晶体结构、能带结构和态密度变化. 并通过溶胶-凝胶法制得锐钛矿型本征TiO₂, N, Fe共掺杂TiO₂和N, Fe, La共掺杂TiO₂; 用X射线衍射和扫描电镜表征结构; 紫外-可见分光光度计检测TiO₂对甲基橙的降解效率变化. 计算结果表明, 由于N, Fe, La三掺杂TiO₂的晶格体积、键长等发生变化, 导致晶体对称性下降, 光生电子-空穴对有效分离, 同时在导带底和价带顶形成杂质能级, TiO₂禁带宽度由1.78 eV变为1.35 eV, 减小25%, 光吸收带边红移, 态密度数增加, 电子跃迁概率提升, 光催化能力增加. 实验结果表明: 离子掺杂使颗粒变小, 粒径大小: 本征TiO₂>N/Fe_TiO₂>N/Fe/La_TiO₂, 并测得N/Fe/La_TiO₂发光峰425 nm, 能隙减小, 光催化能力比N/Fe_TiO₂强, 增强原因是杂质能级和电子态数量增加引起.     

(2+1)维非对称 Nizhnik-Novikov-Veselov系统的新映射解及其局域结构

映射法是一种非常经典、有效和成熟的求解非线性演化方程的方法，其最大的特点是可以有多种不同形式的设解，使得最终求得的解丰富多彩. 利用改进的 Riccati 方程映射法和变量分离法，得到了(2+1)维非对称 Nizhnik-Novikov-Veselov 系统的新显式精确解.根据得到的孤波解，构造出该系统的峰孤子和分形孤子等局域结构，研究了两个孤立波的“追碰”现象. 关键词： 改进的映射法 (2+1)维非对称 Nizhnik-Novikov-Veselov 系统 局域结构 “追碰”现象     

Creep Motion in Two-Dimensional Fully Frustrated Coulomb Gas Model

The creep motion in a two-dimensional fully frustrated square lattice Coulomb gas model with disorders is studied by using the Monte Carlo technique. The dependence of charge current density J on electric field E is investigated at low temperature T and at low E. The results show that the creep obeys the Arrhenius law J - C（T） exp[-U（E）/T]. The prefactor C（T） increases with the temperature in a power law relation with an exponent about 3.0. The energy barrier U （ E） increases logarithmically with Ec,/ E as U （ E） - Uo ln（ Ec/ E） with Ec being the critical field at zero temperature.     

考虑次近邻相互作用的正方形点阵完全阻挫XY模型的Ising型相变

利用有限尺寸标度分析方法,研究了考虑次近邻相互作用的正方点阵完全阻挫XY模型的Ising型相变现象.结果表明对于次近邻耦合系数x=0.5的情况,系统存在Ising型相变,临界温度Tc=0.4043±0.0005,临界指数ν=0.80±0.05.     

(2+1)维孤子系统的多孤子解和分形结构

利用投射方程法和变量分离法,得到了(2+1)维非对称Nizhnik-Novikov-Veselov系统的新显式精确解.根据得到的孤波解,构造出了该系统的多孤子和分形孤子.     

Dynamics of two-dimensional vortex system in a strong square pinning array at the second matching field

We study the dynamics of a two-dimensional vortex system in a strong square pinning array at the second matching field. Two kinds of depinning behaviors, a continuous depinning transition at weak pinning and a discontinuous one at strong pinning, are found. We show that the two different kinds of vortex depinning transitions can be identified in transport as a function of the pinning strength and temperature. Moreover, interstitial vortex state can be probed from the transport properties of vortices.     

Numerical simulation on polymer translocation into crowded environment with nanoparticles

The effects of crowded environment with nano particles are studied for polymer translocation through a small pore. The translocation time τ is simulated by Fokker-Planck equation at different free energy landscapes F and diffusion coefficients of polymer D. The free energy is calculated using the Rosenbluth-Rosenbluth method, and the diffusion coefficient is followed the relation \(D \sim \frac {1}{N} e^{-\triangle F}\). We find that the free energy is dependent on polymer-nanoparticle interaction, size of the nanoparticle, and position of the nanoparticle. The attractive nanoparticles at the trans side can provide a driving force to polymer by lowering the free energy, but the exclusive effect of nanoparticle can raise the free energy of polymer. There exists an optimum interaction that τ is roughly independent on the size and position of nanoparticles. It is found that these effects are related to the conformational change of polymer chain in crowded environment.     

A New Variational Study for Two-Site Holstein Model

A variational approach is developed to study the groundstate (GS) of the two-site Holstein model. By the extended coherent state, where the more phonon correlations are easily incorporated, we can get the very accurate ground state energy for all electron-phonon coupling range in typical values of hopping integral t=0.5,1.1, and 2.1 (in units of phonon frequency ω₀), which covers the crossover region from antiadiabatic limit to the adiabatic limit. Within a very wide t range [0,2.7], the exact results for the GS energy are obtained with the twelfth (fourteenth) order corrections to the zeroth order wave function. Moreover, the present approach is more concise than any other analytical ones in this field, and hopefully can be easily generalized to many other Holstein models.