首页 | 本学科首页   官方微博 | 高级检索  
     检索      

儿茶酚及其衍生物抗癌活性的量子化学研究
引用本文:洪三国,李永红,冯文林.儿茶酚及其衍生物抗癌活性的量子化学研究[J].江西师范大学学报(自然科学版),2000,24(1):58-61.
作者姓名:洪三国  李永红  冯文林
作者单位:1. 江西师范大学,化学系,江西,南昌,330027
2. 北京化工大学,应化系,北京,100029
摘    要:用AM 1和RHF/4 31G水平abinitio计算 ,对儿茶酚及其衍生物的抗癌活性进行了初步研究 .结果表明 ,不同的非氨基取代下儿茶酚的抗癌活性与反映其还原性大小的理论指标———最高占据轨道的能量和第一电离能有密切的联系 .

关 键 词:儿茶酚  抗癌活性  量子化学  最高占据轨道  衍生物
修稿时间:1999-09-13

Quantum Chemical Study on the Anticancer Activity of Catechol and Its Derivatives
HONG San-guo,LI Yong-hong,FENG Wen-lin.Quantum Chemical Study on the Anticancer Activity of Catechol and Its Derivatives[J].Journal of Jiangxi Normal University (Natural Sciences Edition),2000,24(1):58-61.
Authors:HONG San-guo  LI Yong-hong  FENG Wen-lin
Abstract:AM1 method and ab initio calculations with RHF/4 31G have been applied to study the structures of catechol and its derivatives.The results obtained show that the anticancer activity of catechol and its derivatives depend on the energries of the highest occupied molecular orbital E HOMO and the ionization energies I.The higher the highest occupied molecular orbital E HOMO and the lower the ionization energies I of catechol or its derivative is ,the more the anticancer activity of catechol or its derivative is.
Keywords:catechol  the anticancer activity  quantum chemical study  the highest occupied molecular orbital
本文献已被 CNKI 维普 万方数据 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号