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生物金属与胆固醇相互作用的经验势函数计算
引用本文:曹槐,谢小光.生物金属与胆固醇相互作用的经验势函数计算[J].物理化学学报,1995,11(11):1044-1047.
作者姓名:曹槐  谢小光
作者单位:Department of Chemsitry,Zhongshan University,Guangzhou 510275
摘    要:流行病学调查和医学实验均证实,以胆固醇在动脉血管壁沉着、形成病灶及纤维增生使管壁变硬为特征的动脉粥样硬化(AS),与血中某些金属元素的水平密切相关*.一些临床医学观测报道了冠心病患者血中金属元素铜、锌、铬、钢等的水平与胆固醇含量变化的关系[2-6],以期通过改善人体内微量元素的失调来抑制AS的发生和发展.AS患者血中生物金属铜、锌、铬、锅水平与胆固醇含量有关,可能意味着两者存在某种相互作用制约关系.本文通过金属一胆固醇间、胆固醇分子间、受金属离子影响的胆固醇分子间的各种模型构造,选用恰当的经验势函数…

关 键 词:吩噻嗪  2  3-二氯-5  6-二氰基苯醌(DDQ)  电荷转移络合物  电离势  
收稿时间:1995-01-23
修稿时间:1995-04-08

Calculation of the Potential Function of the Interaction between Biometals and Cholesterol
Cao Huai, Xie Xiaoguang.Calculation of the Potential Function of the Interaction between Biometals and Cholesterol[J].Acta Physico-Chimica Sinica,1995,11(11):1044-1047.
Authors:Cao Huai  Xie Xiaoguang
Institution:Department of Chemsitry,Zhongshan University,Guangzhou 510275
Abstract:The electron information of the molecules, cholesterol, chromium-and cuppercholesterol complexes, was calculated by CNDO/M. And, using the interaction potential function method, the intermolecular interaction energies between cholesterols, the complexes, and Cu2 , Zn2 , Cd2 , Cr3 -cholesterol complexes were obtained. Based on the interaction energy, the medical role of biometals in hypercholesterolemia concerned with arteriosclerosis were explained successfully.
Keywords:Biometals  Cholesterol  Interaction  Arteriosclerosis
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