| 部分氮杂环类化合物的遗传毒性及其QSAR研究 |
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| 引用本文： | 朱春媚,沈其龙.部分氮杂环类化合物的遗传毒性及其QSAR研究[J].环境化学,1997,16(2):142-145. |
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| 作者姓名： | 朱春媚 沈其龙 |
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| 作者单位： | 南京大学环境科学与工程系 南京210093 |
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| 摘 要： | 本文利用蚕豆细胞微核试验评价了１０种氮杂环类化合物的遗传毒性，一化合物的最低未占据轨道能Ｅｌｕｍｏ、分子的量负的原子净电荷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）ｑ＾－Ｒ＾２＝０．９４ ＳＥ＝０．７１ Ｆ＝５３．９２ Ｐ〈０．０００５推测此类化合物的至于致毒机制可能是它们作为电荷给予体和氢键予体作用于生物受体而引起的突变。
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| 关 键 词： | 定量结构 活性相关 氮杂五类化合物 遗传毒性 |
THE GENOTOXICITY OF SELECTED HETEROCYCLIC NITROGEN COMPOUNDS AND THE QAUNTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY |
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| Zhu Chunmei,Shen Qilong,Kong Lingren,Chen Jingwen,Wang Liansheng.THE GENOTOXICITY OF SELECTED HETEROCYCLIC NITROGEN COMPOUNDS AND THE QAUNTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY[J].Environmental Chemistry,1997,16(2):142-145. |
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| Authors: | Zhu Chunmei Shen Qilong Kong Lingren Chen Jingwen Wang Liansheng |
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| Abstract: | 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 |
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| Keywords: | quantitative structure-activity relationship heterocyclic nitrogen compounds micronuclei test genotoxicity |
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