高等学校化学学报

高等学校化学学报

• 研究论文 • 上一篇    下一篇

吸附剂结构的计算机辅助设计及吸附机理

魏忠, 黄微, 李纪红, 袁直   

  1. 功能高分子材料教育部重点实验室, 南开大学高分子化学研究所, 天津 300071
  • 收稿日期:2007-01-08 修回日期:1900-01-01 出版日期:2007-09-10 发布日期:2007-09-10
  • 通讯作者: 袁直

Adsorbent Structure Design and Adsorption Mechanism by Computer Simulation

WEI Zhong, HUANG Wei, LI Ji-Hong, YUAN Zhi*   

  1. Key Laboratory of Functional Polymer Materials, Ministry of Education Institute of Polymer Chemistry, Nankai University, Tianjin 300071, China
  • Received:2007-01-08 Revised:1900-01-01 Online:2007-09-10 Published:2007-09-10
  • Contact: YUAN Zhi

PDF (PC)

被引次数

1

摘要： 以琼脂糖凝胶为载体, 二甲胺为配体, 制备了β-OH, γ-OH和β-SH吸附剂. 通过对水相中内毒素的动、静态吸附探索有效的吸附剂结构. 研究结果显示, 吸附剂对内毒素的清除率随配体结构的不同呈现出较大差异, 其中β-OH吸附剂的清除效果最好, 达到90.7%. 运用计算机模拟方法提出了β-OH吸附剂与内毒素作用的模型, 阐明静电力是影响吸附性能的主要因素, 同时氢键的协同和空间位阻效应也不可忽视.

关键词: 内毒素, 琼脂糖, 吸附剂, 计算机模拟

Abstract: Endotoxins are lipopolysaccharides(LPSs) of the outer cell wall of Gram-negative bacteria and show strong biological effects on human beings when entering the blood stream. Serious endotoxin intoxication can cause endotoxermia, so the removal of endotoxin duly and effectually is very important. In this paper, three adsorbents with dimethylamine ligands β-OH, γ-OH and β-SH were synthesized based on the agarose matrix to remove endotoxin from aqueous solution. The static and dynamic adsorption results show that the structure of ligand influenced greatly on the endotoxin adsorption and the β-OH adsorbent had the highest endotoxin removal percentage(ERP), 90.7%. Computer simulation method was employed to investigate the interaction between endotoxin and ligand. It was found that electrostatic force and cooperative hydrogen bond contributed much to the adsorption of endotoxin. A β-OH adsorbent interaction model was developed.

Key words: Endotoxin, Agarose, Adsorbent, Computer simulation

中图分类号: 

TrendMD: