含有4,4′-双(甲基丙烯酰胺基)偶氮苯水凝胶的合成及其在结肠位药物释放的动物实验

合成了不同链长的甲基丙烯酸酯、甲基丙烯酰胺及丙烯酸与4,4′-双(甲基丙烯酰胺基)偶氮苯交联共聚的功能凝胶.三维网络结构通过压缩弹性模量、有效交联密度及聚合物与溶剂间的相互作用参数进行了表征.主要研究了这类凝胶在pH2.2和pH7.4的缓冲溶液的平衡溶胀特性及其偶氮交联基团在体内的降解行为,并讨论了其降解机制.凝胶在胃部的性能稳定,既不发生溶胀,亦不发生降解;但在盲肠内偶氮交联基因可发生降解.其降解率与凝胶的平衡溶胀程度有一个很好的关联:交联程度、疏水基侧链的长度及含量对凝胶溶胀行为的影响结果与这些因素对偶氮交联基团体内降解的影响结果完全一致.通过调节这些因素不仅可以控制凝胶的溶胀程度,而且可以控制偶氮交联基团在体内的降解行为.     

超分子三维氢键网络：{[Cu(phen)3](SO4)(H3PCA)2(8H2O)}的晶体结构

A new complex， {[Cu(phen)₃](SO₄)(H₃PCA)₂(8H₂O)}， was synthesized and structurally characterized by single-crystal X-ray analysis. The complex is composed of copper cations， sulfate anions， 1，10-phenanthroline， protocatechuic acid and lattice water molecules. The structure of H₃PCA， SO₄^2- and waters comprises packing of anionic three-dimensional network by hydrogen bonds with cavities. The complex can be considered as a model of host/guest supramolecule. The three-dimensional hydrogen-bonding network is the host species. The Cu(phen)₃²⁺ cations， guest species， occupied the cavities of the host. And the results demonstrate that the form of protocatechuic acid at pH< 1 should be free ligand. CCDC： 191733.     

烟草三维荧光特征和品质评吸的关系

研究不同品种烟草石油醚冷萃取物的三维荧光光谱，包括烟草所共在的荧光性质和各自的荧光特性，寻找它们与烟草香味，颈头等吃味之间的关系，选择合适的量值指标，为烟草品质的 观感官评估提供了一个实用的对照方法。     

Studies on Thermodynamics Features of the Interaction between Imidacloprid and Bovine Serum Albumin

At different temperatures, the interactions between imidacloprid （IMI） and bovine serum albumin （BSA） were investigated with a fluorescence quenching spectrum, a synchronous fluorescence spectrum, a three-dimensional fluorescence spectrum and an ultraviolet-visible spectrum. The average values of bonding constants （KLB： 3.424 × 10^4 L,mol^-1）, thermodynamic parameters （△H： 5.188 kJ,mol^-1, △G^（○—）：-26.36 kJ,mol^-1, △S： 103.9 J,K^-1,mol^-1） and the numbers of bonding sites （n： 1.156） could be obtained through Stern-Volmer, Lineweaver-Burk and ther- modynamic equations. It was shown that the fluorescence of BSA could be quenched for its reactions with IMI to form a certain kind of new compound. The quenching belonged to a static fluorescence quenching, with a non-radiation energy transfer happening within a single molecule. The thermodynamic parameters agree with △H〉 0, △S〉0 and△G^（○-）〈0, suggesting that the binding power between IMI and BSA should be mainly a hydrophobic interaction.     

腺苷激酶抑制剂的模拟设计

实验科学工作者们一直致力于寻找新的腺苷激酶抑制剂。这里我们分别从蛋白受体的分析，常规三维定量构效分析和引入分子对接的三维定量构效分析等多个角度及不同方法提出了一个更好更加可靠的抑制剂模型。     

单层膜包裹的金纳米粒子的表面状态对铁氰根离子和硫代硫酸根离子间的氧化还原反应的影响

利用三维自组装膜包覆的金纳米粒子为电子转移媒介体, 研究电子在三维自组装膜表面的转移行为. 文中以3-巯基丙酸和11-巯基十一酸包覆的金纳米粒子为催化剂, 催化铁氰化钾与硫代硫酸钠之间的反应. 该催化反应的机理为金纳米粒子作为电子转移的媒介体, 电子在金纳米粒子表面转移的速度决定着反应的速度. 因此, 电子在这种三维自组装膜上的转移速度和反应速度成正比, 而该反应的反应速度可以由铁氰化钾的紫外光谱的变化得到. 实验中得到的表观电子转移速度比理论计算隧道电流产生的电子转移速度的最大值小几个数量级, 这可能是由于纳米粒子能级不连续性造成的.     

Preparation and Characterization of Three-dimensionally Ordered Crystalline Macroporous CeO2

Three-dimensional ordered macroporous (3DOM) materials are of great potential importance in catalysis, selective separation, sensor arrays and communications with optical band gaps1. Many results in the synthesis of 3DOM materials have been reported, such as closed-packed silica spheres or polystyrenes (PS) templating routes for silica2, metal oxides1-6 and metals7. Recently, poly(methyl methacrylate) (PMMA) colloidal crystal templates have been used to prepare 3DOM materials of metals8,…     

纳米分辨率的三维形貌检测仪

从光干涉方式，瞳窗关系和光源带宽等基本关系出发，利用空间不变系统理论解析了相移显微干涉检测系统中衍射效应的影响。为了减小横向分辨率对纵向分辨率的影响，利用相关信息提取或数字滤波的方法，获得了纳米分辨率的三维形貌。     

CoMFA 3D-QSAR Analysis of Epothilones Based on Docking Conformation and Alignment

Epothilones belong to a class of novel microtubule stabilizing and anti-mitotic agents, which have a paclitaxel-like mechanism of action. A three-dimensional quantitative structure-activity relationship （3D-QSAR） model was built for epothilones by the method of comparative molecular field analysis （CoMFA） combined with the flexible docking technology. The docking CoMFA model gave a good cross-validated value of q2=0.784 with an optimized component of 6 and the conventional correlation coefficient of r^2=0.985. The statistical results show that the model has good ability to predict the activity of the studied compounds. At last, the docking CoMFA model was analyzed through contour maps complemented with MOLCAD-generated active site potential surface in the α,β-tubulin receptor, which can provide important information for the structure-based drug design.