Computer simulation of the dynamics of homocysteine molecules surrounding a carbon nanotube

被引：2

作者：

Raczynski, P. ^{[1
]}

Dawid, A. ^{[1
]}

Dendzik, Z. ^{[1
]}

Gburski, Z. ^{[1
]}

机构：

[1] Silesian Univ, Inst Phys, PL-40007 Katowice, Poland

来源：

PERSPECTIVES OF NANOSCIENCE AND NANOTECHNOLOGY: ACTA MATERIALIA GOLD MEDAL WORKSHOP | 2008年 / 140卷

关键词：

homocysteine; carbon nanotube; molecular dynamics;

D O I：

10.4028/www.scientific.net/SSP.140.147

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Excessive amounts of homocysteine in the human body have been considered recently as a factor which increases the risk of developing diseases of the cardiovascular system. The nanosystem composed of homocysteine molecules covering a single walled carbon nanotube have been studied by MD technique. The translational and rotational velocity correlation functions have been calculated for several temperatures, including the physiological temperature of 309 K. The qualitative interpretation of translational and reorientational dynamics of homocysteine molecules in this specific environment is presented.

引用

页码：147 / 152

页数：6

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