A molecular modelling study of the interaction between β-cyclodextrin and the organophosphorothioate pesticide parathion

被引：0
作者：
B Manunza
S Deiana
M Pintore
C Gessa
机构：
[1] Universita di Sassari,DISAABA
[2] Istituto di Chimica Agraria,undefined
来源：
Glycoconjugate Journal | 1998年 / 15卷
关键词：
cyclodextrin; parathion; organophosphorothioate pesticides; molecular dynamics; inclusion complexes;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The interaction between parathion and β-cyclodextrin was investigated by Molecular Dynamics. Several in vacuo trajectories were calculated for the system imposing a 1:1 stoichiometry. The influence of the solvent and temperature was considered. The results account for the formation of adducts which are stable at room temperature and involve mainly the nitrophenoxy group of the guest molecules which interacts with the hydrophobic cavity of the host by van der Waals forces.
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页码：293 / 296
页数：3
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