全部 标题 作者
关键词 摘要

OALib Journal期刊
ISSN: 2333-9721
费用:99美元

查看量下载量

相关文章

更多...
环境化学  2015 

应用受体学说模型研究硝基苯类化合物的致毒机理

Keywords: 受体学说,硝基苯,定量结构活性相关,黑头呆鱼

Full-Text   Cite this paper   Add to My Lib

Abstract:

应用受体学说推出的定量结构活性相关(QSAR)模型研究了硝基苯类化合物的致毒机理,结果表明,硝基苯类化合物的主要致毒机理是化合物亲电中心与受体分子亲核活性中心发生反应.并引入硝基数目和位置指示变量I,分析表明,苯环上硝基的数目和位置的差别引起化合物的最低未占轨道能ELUMO的变化,即化合物亲电结合能的变化,从而影响了化合物的生物活性.

References

[1]  赵元慧,王连生,高鸿,有机污染物定量结构与活性相关研究.科学通报,1993,38(6)∶516-518
[2]  Devillers J,Chambon P,Zakarya D et al.,A New Approach in Ecotoxiciological QSAR Study.Chemosphere,1986,15(8)∶993-998
[3]  徐景达译,药物结构与活性的关系.北京:人民卫生出版社,1987
[4]  Huang Q G,Zhao Y H,Zhang A Q et al.,Relationship between Acute Toxyicity to Aquatic Organism of Substituted Aromatic Compounds and Their Molecular Orbital Energy.Chinese Science Bulletin,1995,40(7)∶595-598
[5]  Cronin M T D,Schultz T W,Structure-Toxicity Relationships of Phenols to Tetrahymena pyriformis.Chemosphere,1996,32(8)∶1453-1468
[6]  Wang X D,Yin C S,Wang L S,Structure-Activity Relationships and Response-Surface Analysis of Nitroaromatics Toxicity to the Yeast(Saccharomyces cerevisiae).Chemosphere,2002,46(7)∶1045-1051
[7]  Hall L H,Maynard E L,Kier L B,Structure-Activity Relationship Studies on the Toxicity of Benzene Derivatives:Ⅲ.Predictions and Extension to New Substituents.Environ.Toxicol.Chem.,1989,8(4)∶431-436
[8]  Hall L H,Maynard E L,Kier L B,QSAR Investigation of Benzene Toxicity to Fathead Minnow Using Molecular Connectivity.Environ.Toxicol.Chem.,1989,8(9)∶783-788
[9]  籍东国,孙铁衍,隋欣,用分子轨道法探讨油田废水中取代苯系物的毒性效应应用生态学报,2002,13(4)∶471-475
[10]  Liu Z T,Wang L S,Chen S P et al.,Analysis and Predication of Structure-Reactive Toxicity Relationship of Substituted Aromatic Compounds.Bull.Environ.Toxicol.,1996,57(3)∶421-425
[11]  陈景文,王连生,马逊凤等,部分硝基芳烃对鲤鱼的急性毒性及定量构效关系环境化学,1996,15(4)∶332-336
[12]  Xu M,Zhang A Q,Han S K et al.,Studies of 3D-Quantitative Structure-Activity Relationships on a Set of Nitroaromatic Compounds:CoMFA,Advaced CoEFA and CoMSIA.Chemosphere,2002,48(7)∶707-715
[13]  古练权,马林,生物有机化学.北京:高等教育出版社和德国施普林格出版社联合出版,1998
[14]  Cronin M T D,Gregory B W,Schultz T W,Quantitative Structure-Activity Analyses of Nitrobenzene Toxicity to Tetrahymena pyriformis.Chem.Res.Toxicol.,1998,11∶902-908.
[15]  Jaworsky J S,Schultz T W,Mechanism-Based Comparisons of Acute Toxicities Elicted by Industrial Organic Chemicals in Procaryotic and Ecaryotic Systems.Ecotoxicol.Environ.Safety,1994,29∶200-213
[16]  Schultz T W,Cronin M T D,Quantitative Structure-Activity Relationships for Weak Acid Respiratory Uncouplers to Vibrio Fisheri.Environ.Toxicol.Chem.,1997,16(2)∶357-360

Full-Text

Contact Us

service@oalib.com

QQ:3279437679

WhatsApp +8615387084133