化合物

In order to further understand the dependence of bioactivities on the structure of new fluorine-containing pesticidal compounds to build up significant ligand-receptor models, and to find out the pharmacophores of these analogues, 3D-QSAR analyses have been carried out with DISCO, CoMFA and Leapfrog approaches on the basis of our previous classical QSAR study. Firstly, the compounds were classified according to their structures.

为了能更深入地认识含氟新化合物作为农药的生物活性和其结构间的关系，建立有意义的药物-受体作用模型，寻找同类化合物的药效团，对合成的含氟化合物在经典QSAR方法研究的基础上，又进一步运用DISCO，CoMFA和Leapfrog方法研究了它们的三维构效关系。

Qualitative and quantitative analysis of chemical constituents.(1) Based on the GC spectrum of 2 species, Whitmania pigra and Poecilobdella manillensis shows little difference between them. 24 kinds of fatty acid in Whitmania pigra was firstly separated and determined by GC/MS. Among them, phenylacetic acid is a component which has active of anticancer. The existence of many unsaturated fatty acid provides chemical evidence for ShuiZhi's functions of invigorate the circulation of blood.

六首次对两种水蛭的脂肪酸类化合物进行了GC定性分析，发现其脂肪酸组成未见明显差异，后又对宽体金线蛭的脂肪酸类化合物进行了GC-MS分析，初步鉴定出24个化合物，包括苯乙酸、龙脑和22种脂肪酸，其中所含的苯乙酸具有抗肿瘤活性，大量不饱和脂肪酸的存在为水蛭在血液流变学方面的药理作用提供了一定的化学依据。

Deoxybenzoin(3) was prepareded by using the resorcinol and substituted phenylacetic as starting meterials in microwave-mediated.Then the compound(3) was reacted with acetic anhydride to produce(4).The compound(4) was hydrolyzed to convert compound(5) in the acid-mediated. The compound(5) was reacted with the 1,2-dibromo-ethane and 1,3-dibromo-propane in refluxed condition with acetone as solvent to give(6) or(7),respectively.Lastly,the title compounds were synthesized by refluxing(6) or(7) with 2-methyl-benzimidazole and potassium carbonate in acetone solution.

以取代苯乙酸和间苯二酚为起始原料，用微波辐射法合成脱氧安息香(3)，(3)与乙酸酐缩合生成2-甲基-7-乙酰氧基异黄酮(4)，(4)在酸性条件下水解生成相应的异黄酮(5)，化合物(5)分别与1，2-二溴乙烷和1，3-二溴丙烷反应生成(6)和(7)，化合物(6)和(7)再分别与2-甲基苯并咪唑偶合生成目标化合物。

Compounds were identified by means of physic-chemical property and spectral data including three new compounds: platyphyllin A (1), neochlorgeniclatone (2),(2E,6Z)-2,6-dimethyl-8-O-β-D-glucosyl-2,6-octadienoic acid (3). The known compounds included cyclic diarylheptanoids, phenylic acid, ect.

从白桦叶的水提取物中，利用各种色谱分离手段(硅胶柱色谱、聚酰胺柱色谱、凝胶柱色谱及制备薄层色谱等)，分离得到28个化合物，通过理化性质及各种波谱数据(NMR，MS，IR，etc)鉴定了23个化合物的结构，其中新化合物三个：platyphyllin A(1)，新绿原酸内酯(neochlorgeniclatone，2)，(2E，6Z)-2，6-二甲基-8-O--2，6-辛二烯酸(2E，6Z-2，6-dimethyl-8-O-β-D-glucosyl-2，6-octadienoic acid，3。

The total synthese three natural compounds to explore enantioselective synthesis of flavanol: We use phloroglucin and 2, 4, 6-trihydroxyacetophone as starting materials to synthesis distenin in two ways; Resorcin was used to synthsis 2, 5-dimethoxymethoxyacetophone though 3 steps.

对黄烷醇化合物的立体选择性全合成进行了探索：以间苯三酚和2，4，6-三羟基苯乙酮为原料，尝试用两条路线对Distenin化合物进行了全合成研究；以对苯二酚为原料，经三步制得2，5-二甲氧甲氧基苯乙酮，与2，4，6-三甲氧甲氧基苯甲醛反应，经四步反应得到天然产物3，5，7，2′，5′-二五羟基黄烷关键中间体1-（2′，6′-二甲氧甲氧基苯）-3-（2&，4&，6-三甲氧甲氧基苯）丙烷-1R，2R-二醇83及其对映体84；简要介绍了EGCg类化合物的生物活性和研究概况。

The results show that the toxicities of chloranlines to Photobacterium Phosphoreum are increased as the increase of sum of the net electric charge on the benzene ring.

结果表明：SQR值越大，即化合物苯环上的正电性越强，则氯苯胺类化合物对Photobacterium Phosphoreum的毒性就越大，据此可预测化合物的毒性。

Quantum chemical CNDO/2 method has been performed to study 20 chloranlines on the electronic structure in order to analyze their toxicities to Photobacterium Phosphoreum. The correlation analysis and the step regression analysis are put in use in this paper.

研究氯苯胺类化合物的电子结构与发光菌毒性的关系，应用CNDO/2量子化学方法计算了20个氯苯胺类化合物的电子结构，探讨了发光菌在5、15、30 min时间内的半抑制浓度的负对数P(5-EC50)、P(15-EC50)、P(30-EC50)与化合物的电子结构的关系。

Nevertheless, the yield of pinacol was also strongly affected by the steric environment surrounding the carbonyl group. The pinacol coupling of aromatic aldehydes has been achieved with high yields under such a condition. However, the diastereose-lectivities of pinacols were not satisfying. Unfortunately, the ketones and most aliphatic aldehydes appeared inert under the same reaction conditions.

然而， 呐偶合反应的产率受到羰基周围环境的立体位阻影响较大，在此条件下，锌粉能有效地促进芳香族醛类化合物进行水相呐偶合反应，得到的呐醇产率高，但非对映异构体选择性差，而脂肪族醛类化合物得到的呐醇产率较低，在同样的条件下，酮类化合物不能顺利进行呐偶合反应。

In the study of testing the overall ability of anti-oxidation, polyhydroxy substituted N-benzoylserotonin derivatives (compound 1-10) still have the better overall ability of anti-oxidation than control group, trolox. The IC50 values of compound 1-10 range 2.49 to 3.92, while the IC50 value of trolox is 5.23 μg/ml. Compound 10 is still the best derivative which has the best overall ability of anti-oxidation; IC50 value is 2.49 μg/ml.

而在总抗氧化能力结果显示，相较於对照组水溶性维生素E之IC50值5.23 μg/ml，多羟基取代之N-色洛冬宁苯甲醯胺衍生物（化合物1 ~ 10）之总抗氧化能力效果IC50值介於2.49 ~ 3.92 μg/ml之间，十种醯胺化合物的总抗氧化效果皆比对照组水溶性维生素E的抗氧化效果还要来得优越，其中效果最强的仍为化合物10，其 IC50值为 2.49 μg/ml。

In order to investigate the effects of thecomposition and structure of the conductive coordinative polymolecular compounds on theirconductivity,we choose the functional organic molecules that can form stable free-radicalions as the ligands,investigate the coordinative bridging interaction of the transition metals orrare earth ions with the ligands and the compositions and properties of the complexes.It willprovide scientific basis for the development and application of new conductive materials.

为了探讨和总结导电性配位高分子化合物的组成及结构与化合物导电性能的关系和规律，我们选择了能形成稳定自由基离子的功能性有机小分子化合物作为配体，研究它们与过渡金属离子及稀土离子的配位桥联作用以及有关配合物的组成和性质，从而为新型导电材料的开发和应用提供科学依据。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。