有机物对沙癙幼虫麻醉活性的构效关系研究

有机物对沙癙幼虫麻醉活性的构效关系研究

刘天宝¹,李宝宗²,彭艳芬¹

(1. 池州师范专科学校化学系，安徽池州247000； 2. 苏州大学化学化工学院，江苏苏州215123

收稿日期:2006-07-03 修回日期:1900-01-01 出版日期:2006-10-24 发布日期:2006-10-24
通讯作者: 刘天宝

Relationships between the anesthetic activities for Arenicola larva and the structures of organic molecules

LIU Tian-bao¹,LI Zong-bao²,PENG yan-fen¹,

1. Department of Chemistry, Chizhou Teachers College, Chizhou 247000, Anhui, China; 2. Department of Chemistry, Suzhou Univ., Suzhou 215123, Jiangsu, China

Received:2006-07-03 Revised:1900-01-01 Online:2006-10-24 Published:2006-10-24
Contact: LIU Tian-bao

摘要/Abstract

摘要： 应用量子化学HF/ 631G*

关键词: 有机物, 沙癙幼虫, 麻醉活性 , 从头算

Abstract: The structures of 20 organic molecules are optimized at HF/631G*〖KG-*3]* level, of which the parameters of geometric structure and electronic structure are calculated with the technique of molecule graphics. Results show that there is a good multivariate linear relationship between experimental value of the anesthetic activity for Arenicola larva, the topological index（1Xv）, the highest positive charge of hydrogen atom（QH） and the lowest minus charge（Q-）. The main structural factors that affect the anesthetic activity for Arenicola larva are proposed.

Key words: anesthetic activity , ab initio, Arenicola larva, organic compounds

刘天宝,李宝宗,彭艳芬 . 有机物对沙癙幼虫麻醉活性的构效关系研究[J]. J4, 2006, 41(6): 129-131 .

LIU Tian-bao,LI Zong-bao,PENG yan-fen, . Relationships between the anesthetic activities for Arenicola larva and the structures of organic molecules[J]. J4, 2006, 41(6): 129-131 .

参考文献

多维度评价

Viewed

Full text

Abstract

Cited

Shared

Discussed

[1]	刘天宝彭艳芬. 一些有机物对蝌蚪麻醉活性的QSAR研究[J]. J4, 2009, 44(9): 12-16.
[2]	彭艳芬,李宝宗,刘天宝 . 有机气体麻醉活性的构效关系研究[J]. J4, 2006, 41(5): 148-150 .