| 硝基芳族化合物对江水细菌的毒性及QSAR研究 |
| 摘要点击 690 全文点击 1140 投稿时间：1995-04-05 |
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| 中文关键词 硝基芳族化合物 细菌 24h－IC50 QSAR |
| 英文关键词 nitroaromatic compounds bacteria 24h-IC50 QSAR |
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| 中文摘要 |
| 采用细茵生长抑制实验,测定了24种硝基芳族化合物对松花江水中细菌的毒性,得到24h-IC50值,并选用5种物理化学参数lgP、1Xv、I、Σσ-、ELUMO对毒性数据进行定量结构活性关系(QSAR)研究。结果表明,硝基芳族化合物对江水细菌的毒性与对发光菌及鲤鱼的毒性相关性较好,其毒性大小取决于硝基数目,取代基种类和位置及化合物的电子效应,得到令人满意的二变量(I,Σσ-)方程。用此方程得到的预测值与实测值基本相符。 |
| 英文摘要 |
| The bacterial growth inhibition test has been used to determine the 24h-IC50 values of 24 nitroaromatic compounds for bacteria in the Songhua River. The quantitative structure-activity relationship (QSAR) studies have been performed with the above toxicity values by using five physicovchemical parameters lgP,Xv,I, and ELUMO as variables. The results show that the toxicities of nitroaromatic compounds to bacteria was affected by the umber of nitroaromatic group, the type and position of the functional groups, and the electron effect of the compounds. The relationship between the toxicity of nitroaromatic compounds to bacteria and that to phottheterium phosphoreum and carp has been found and as at is factory QSAR equation containing two varivables was obtained. The estimated toxicity data based on this equation were generally coincident with those from actual measurement. |
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