喜树碱类抗肿瘤药物作用模式的柔性分子对接研究

研究采用柔性分子对接技术，将15个喜树碱类化合物对接到拓扑异构酶I (Topo I)-DNA切割复合物中，从原子水平和分子力场角度阐明了喜树碱类抗肿瘤药 物与DNA，Topo I的相互作用机制。研究发现，喜树碱分子插入Topp I-DNA复合物 的切割位点，并与Asn722，Asp533，Lys532和Lys720形成氢键作用网络。定量构效 关系研究进一步表明喜树碱分子可以与Topo I-DNA切割复合物形成电荷迁移作用。 该对接模型系统解释了喜树碱类化合物的构效关系、定点突变等诸多实验事实，为 下一步设计、合成新型高效的喜树碱类衍生物打下了坚实基础。     

Voltammetric study of the interaction of lomefloxacin (LMF)–Mg(II) complex with DNA and its analytical application

The voltammetric behavior of the LMF-Mg(II) complex with DNA at a mercury electrode is reported for the first time. In NH₃–NH₄Cl buffer (pH=9.10), the adsorption phenomena of the LMF–Mg(II) complex were observed by linear sweep voltammetry. The mechanism of the electrode reaction was found to be a reduction of LMF in the complex, and the composition of the LMF–Mg(II) complex is 2:1. In the presence of calf thymus DNA (ctDNA), the peak current of LMF–Mg(II) complex decreased considerably, and a new well-defined adsorptive reduction peak appeared at −1.63 V (vs. SCE). The electrochemical kinetic parameters and the binding number of LMF–Mg(II) with ctDNA were also obtained. Moreover, the new peak currents of LMF–Mg(II)–DNA system increased linearly correlated to the concentration of DNA in the 4.00×10⁻⁷–2.60×10⁻⁶ g ml⁻¹ range when the concentrations of LMF–Mg(II) complex was fixed at 5.00×10⁻⁶ mol l⁻¹, with the detection limits of 2.33×10⁻⁷ g ml⁻¹. An electrostatic interaction was suggested by electrochemical method.     

Application of algebraic method to the high overtones of C6H6 and C6D6

Both the spectra and infrared transition strengths of C₆H₆ and C₆D₆ for the C? H stretching overtones up to as high as v = 10 are described in high precision with few parameters (six for the spectra and four for the transition strengths) by the Iachello–Oss algebraic model. The Hamiltonian model is solved in the symmetry adapted bases, which are constructed by the symmetrized boson representation (SBR) technique. The results show that the combination of the algebraic method and SBR technique is a powerful method for describing vibrations of large molecules and high overtones. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

综合有机化学实验:提取丁香花中的丁香酚多步合成香兰素

介绍了一个综合型有机化学实验，作为一个整体项目大约安排12周时间来完成。以不含香兰素的丁香花为原料，提取其中的丁香酚来多步合成香兰素，并进行物理和化学性质检验，整个实验技术路线包含了蒸馏、合成、重结晶等多种操作，同时在纯化和结构鉴定过程中还用到红外、紫外-可见和高效液相色谱等多种大型仪器分析技术。     

非化学专业无机及分析化学“讲练考”教学模式改革

This article discussed "teaching-practice-test" teaching mode with teaching practical experience and content matching.Results showed that this mode highlighted the proportion of practice and problem-solving in the process of learning; improved students' ability to solve problems using professional and disciplinary knowledge; changed learning styles from cramming way to autonomous learning step by step and trained students' creativity.     

考虑运动受限的履带式移动机器人轨迹跟踪控制

针对履带式移动机器人的轨迹跟踪控制问题进行研究,首先,建立了履带式移动机器人的运动学模型和跟踪误差模型；其次,设计了转速有限时间控制和线速度滑模控制的轨迹跟踪控制律,并给出了考虑运动受限作用下的控制律修正表达式；最后,基于MATLAB对所提控制律进行仿真,对比分析了不考虑运动受限情况下跟踪控制效果;结果表明,设计的跟踪控制律能够实现履带式移动机器人对圆轨迹的有效跟踪,且考虑运动受限作用的控制律更加符合实际;文章研究分析了运动受限作用对于移动机器人轨迹跟踪控制的影响,分析结果对其他移动机器人的运动控制研究具有参考价值。     

Design and characterization of guided mode resonance filters with the improved structure for facile fabrication

In this study, a guided mode resonance filter with the improved structure for facile fabrication is designed; the properties of the designed filters are simulated by rigorous coupled wave analysis. It is found that the resonance wavelength and spectral linewidth are slightly increased with the increasing of the grating thickness, and seldom changed with the thickness of the grating filling factor, as the parameter error of the grating thickness and the grating filling factor are deviated from the designed value by ±10%, respectively, which are very favorable for simplifying preparation process of the GMR filter.     

An Investigation into the Migration of Segments in Crosslinked Fluorinated Polyimide Adhesive

Crosslinked fluorinated polyimides (CFPI) were successfully synthesized to study and explore the effect of cross-linkage on the migration of fluorinated segments and on the adhesion strength. Characterization by dynamic thermomechanical analysis (DMA) and thermo gravimetric analysis (TGA) confirmed good thermal properties of CFPI. X-ray photoelectron spectroscopy (XPS) results showed that the ratio of fluorinated component (6FDA-ODA) concentration of the surface to the bulk decreased with the crosslink density. The water contact angle of CFPI was lower than that of non-crosslinked fluorinated polyimide, indicating that the migration of fluorinated groups to the surface was reduced by the presence of cross-linkage. Therefore, CFPI, with no fluorine segregation on the surface, exhibited excellent wetting of adherent surfaces and adhesion strength, which was proved by lap shear strength (LSS) measurements and scanning electron microscopy.     

Syntheses and structures of M–Na (M=Zn,Mn) coordination polymers in which ligands and Na ions exhibit complex coordination modes

The novel heteronuclear complexes [Na₂Zn(dipic)₂(H₂O)] _n (1) and [Na₂Mn(dipic)₂(H₂O)₂] _n (2) (H₂dipic?=?pyridine-2,6-dicarboxylic acid) were synthesized and characterized by single-crystal X-ray diffraction, analysis, IR spectroscopy and thermogravimetric analysis. Complex 1 consists of infinite 2D double layers, which are further attached into a 3D network through π–π stacking. All sodium ions are 3-coordinate. Complex 2 has an intricate 3D structure, in which two sodium ions are differently involved in forming polymeric coordination units, and are 3- and 7-coordinate, respectively. Dipic anions act as multidentate ligands showing novel and unprecedented bridging coordination modes. One ligand coordinates to three metal ions and with five bonds; the other coordinates five metal ions with nine bonds.