3D－QSAR Study on Diindolylmethane and Its Analogues with Comparative Molecular Field Analysis(CoMFA)

Comparative molecular field analysis (CoMFA),a three dimensional quantitative structure-activity relationship (3D-QSAR) method was applied to a series of diindolylmethane(DIM) analogs to study the relationship between their structure and their induction of CYP 1A1-associated ethoxyresorufin-O-deethylase(EROD) activity.A DISCO model of pharmacophore was derved to guide the superposition of the compounds.The coefficient of cross-validation (q^2) and non cross-validation(r^2) for the model established by the study are 0.827 and 0.988 respectively,the value of variance ratio (F) is 103.53 and standard error estimate (SEE)is 0.044.These values indicate that the CoMFA model derived is significant and might have a good prediction for the catalytic activity of DIM compounds.As a consequence,the predicted activity values of new designed compounds were all higher than that of the reported value.     

An Integrated Theory of Adsorption and Partition Mechanism and Eash Contribution to Solute Retention in Reversed Phase Liquid Chromatography

With the combination of the the stoichiometric displacement model for retention (SDM-R) in reversed phase liquid chromatography (RPLC) and the stoichiometric displacement model for adsorption (SDM-A) in physical chemistry,the total number of moles of the re-solvated methanol of stationary phase side.nr,and that of solute side in the mobile phase,q,corresponding the one mole of the desorbing solute,were separately determined and referred as the characterization parameters of the contributions of the adsorption mechanism and partition mechanism to the solute retention,respectively.A chromatographic system of insulin,using mobile phase consisting of the pseudo-homologue of alcohols(methanol,ethanol and 2-propanol)-water and trifluoroacetic acid was employed.The maximum number of the methanol layers on the stationary phase surface was found to be 10.6,only 3 of which being valid in usual RPLC,traditionally referred as a volume process in partition mechanism.However,it still follows the SDM-R.Both of q and nr of insulin were found not to be zero,indicating that the retention mechanism of insulin is a mixed mode of partition mechanism and adsorption mechanism.When methanol is used as the organic modifier,the ratio of q/nr was 1.13,indicating the contribution to insulin retention due to partition mechanism being a bit greater than that due to adsorption mechanism.A linear relationship between q,or nr and the carbon number of the pseudo-homologue in the mobile phase was also found.As a methodology for investigating the retention mechanism retention and behavior of biopolymers.a homologue of organic solvents as the organic modifier in mobile phase has also been explored.     

农药甲霜林对映体的高效液相色谱分离及手性拆分热力学研究

以正己烷/异丙醇为流动相，在纤维素-三（3，5-二甲基苯基氨基甲酸酯）（CDMPC）涂敷型手性固定相上，对农药甲霜灵外消旋体进行了拆分，考察了流动相组成、柱温等对甲霜灵对映体的保留和分离的影响；对甲霜灵R、S对映体与固定相之间的保留和分离的热力学机理进行了讨论。     

茂型稀土金属有机配合物合成与表征研究进展

本文综述了茂型稀土金属有机配合物的研究现状和最新进展，系统地介绍了茂型稀土金属有机配合物的特征，合成，以及结构表征方法，并着重介绍了典型三茂型，二茂型，含茚基，含芴基稀土金属有机配合物的晶体结构。最后，展望其发展趋势和研究方向。     

SnO2—SiO2负载Cu,Ni催化剂的CO2加氢反应性能

采用表面反应改性法制备了SnO2-SiO2(SnSIO)表面复合物载体,用等体积浸渍法制备了SnSiO担载的Cu-Ni双金属催化剂,借助BFT,XRD,TPR,IR和微反等技术研究了SnSiO及其负载的Ni,Cu双金属催化剂的表面构造,化学吸附及CO2加氢反应性能,结果表明：SnSiO是SnO2单分子层价联于SiO2表面的复合氧化物,仍保持类似SiO2载体的孔结构和比表面;SnO2引入SiO2表面后可以有效地促进CuO,NiO的还原,还原后成为负载在SnSiO载体表面的Cu-Ni合金,CO2在负载型Cu-Ni合金表面Cu或表面Ni位 发生化学吸附,形成线式和剪式吸附;CO2在催化剂上的加氢反应产物主要是CH3OH,CH4,CO和H2O,生成CH3OH的选择性与催化剂组成及反应条件密切相关,Cu-Ni催化剂,在0．5MPa,170度,H2。CO2（mol/mol)为3 的条件下,CH3OH的选择性达到84．6％。     

草酸根桥联的异三核配合物的合成、表征及抗菌活性

合成了7种草酸根桥联的Cu2^ⅡFe^Ⅱ、N i2^Ⅱ、Co2^ⅡF^Ⅱ异三核配合物[M2Fe(C2O4)3Lx](ClO4),(M=Cu,L=bpy,Me2phen,NO2phen,x=2,M=Ni,Co,L=bpy,Me2phen,x=4)。经元素分析、摩尔电导和磁性的测定以及红外光谱和电子光谱等方法对 这些配合物进行了表征,确字了配合物的组成和结构。初步生物活性试验表明形成三核配合物其杀菌活性明显提高。     

溶致液晶体研究及其在三次采油中的应用

研究了石同磺酸盐／正戊醇／水的三元体系和石油磺酸盐／癸烷／正戊醇／水的拟三元体系相图中的液晶区域,揭示了不同组分对液晶区域大小的影响以及液晶的流变性和液晶的结构,在三次采油中,用六角状溶致液晶体系代替三元复合驱体系进行化学驱油,虽然驱油效率更高,但需进一步降低液晶驱油体系的成本。     

PP—g—（GMA—co—St）对PA6—PC共混合的反应增容作用

用红外、扫描电镜、熔体流动速率和力学性能等测试方法,研究了甲基丙烯酸缩水甘油酯（GMA）和苯乙烯（St）多单体熔融接枝聚丙烯PP－g-(GMA-co-St)对PA6－PC共混合的反应增容作用。研究结果表明,在熔融共混过程中,PP－g-(GMA-co-St)中的环氧基与PA6的端氨基及PC的端羟基原位生成的接枝共聚物就有效地降低了共混物相间的界面张力,明显提高了共混物相界面的粘着力。少量的PP－g-(GMA-co-St)就能使PA6和PC的相容性得到显著改善。当PP－g-(GMA-co-St)的质量分数为10％时,共混物分散相的相区尺寸细化到0．2μm,其力学性能也有较大提高。PA6／PC／PP－g-(GMA-co-St)共混物的力学性能均衡,达到了弹性体增韧体系难以达到的效果。即使PP－g-(GMA-co-St)组分含量为20％时,共混物仍能保持较好的力学性能,特别是在共混物地韧性得以提高的同时,其强度和伸长率也提高。     

高分子共混物梯度的相结构形成过程中的界面效应

通过在高分子共混物内部引入不同的第三相界面,系统地研究了退火热处理条件下界面对于共混物梯度相形态形成的影响,对具有一定初始粒径的共混物体系或初始近似为均相的共混体系,在第三相界面的诱导下,均能形成梯度相形态。探讨了诱导界面间距与体系相结构的关系。结果表明,当两个诱导界面间距小于所生成梯度层厚度的两倍时,梯度结构趋于交叠。继续减小透导界面间距,则梯度结构趋于消失,诱导界面间共混物中分散相粒子快速长大,界面的诱导作用遍布整个样片,证实了我们所提出的“高分子共混物中二维条件下界面诱导加速分散相粒子粗化凝聚”的结论。     

一种具有高速选择性的技术—分了烙印

分子烙印技术作为一个新概念被提出来,虽然国外已有一部分人在这方面作出了一些研究,但国内这方面的报道却很少,本文从自组装方法和预聚合方法两种合成分子烙印聚合物的模型,烙印分子、功能性聚合物单体及聚合条件的选择,分子烙印聚合物的特点,应用展望等作了评述。