摘要
本文利用蚕豆根尖细胞微核试验评价了10种氮杂环类比合物的遗传毒性,与化合物的最低未占据轨道能E_lumo、分子的最负的原了净电荷q^-建立了较好的相关方程:MN=-2.96(1.14)+4.93(0.48)Elumo+13.68(2.72) R^2=0.94 SE=0.71 F=53.92 P<0.0005推测此类化合物的致毒机制可能是它们作为电荷给予体和氢键给予体作用于生物受体而引起的突变.
The genotoxicity of 10 heterocyclic nitrogen compounds were evaluated using mi-cronuclei test,and were correlated with Elumo(the lowest unoccupied molecular orbital energy) and q- (the most negative net charge in molecular):MN=-2.96(1.14) + 4. 93(0. 48)Elumo + 13. 68(2. 72)q-R2 = 0. 94 SE = 0. 71 F=53. 92 P<0. 0005
出处
《环境化学》
CAS
CSCD
北大核心
1997年第2期142-145,共4页
Environmental Chemistry
关键词
定量结构
活性相关
氮杂五类化合物
遗传毒性
quantitative structure-activity relationship, heterocyclic nitrogen compounds , micronuclei test, genotoxicity.
