摘要
测定了9种苯甲酸类化合物在pH=7时对发光菌的急性毒性(15min-EC50)。应用两种理化参数TSA和ELUMO对毒性数据进行了定量构效关系(QSARs)研究,并在此基础上初步探讨了苯甲酸类化合物的毒性机制。结果表明,苯甲酸类化合物对发光菌的毒性随取代基团的种类及取代位置不同而不同;苯甲酸类化合物对发光菌的致毒机制中可能有亲电作用发生,毒性可用TSA和ELUMO来联合描述。
The acute toxicities of 9 benzoic acids to Photobacterium phosphoreum were measured at pH 7.0. Quantitative structure-activity relationships (QSARs) were established using two physico-chemical parameters TSA and ELUMO, based on which the toxic mechanism of benzoic acid was preliminarily discussed. Results showed that the acute toxicities of benzoic acid varied with kind and position of substituents at the same pH. The toxic mechanism of benzoic acids to Photobacterium phosphoreum was mainly electrophilic and toxicities could be described by TSA in combination with ELUMO.
出处
《环境科学与技术》
CAS
CSCD
北大核心
2006年第10期22-23,36,共3页
Environmental Science & Technology
基金
福建省自然科学基金资助项目(D0310017)
关键词
苯甲酸类化合物
发光菌
定量构效关系
毒性机制
benzoic acid
Photobacterium phosphoreum
quantitative structure-activity relationship
toxic mechanism
