计算机化学及其在中药分离技术研究领域的应用进展  

Advancements of computer chemistry in separation of Chinese medicine

作　　者：李玲娟[1] 洪弘[1] 徐雪松[1] 郭立玮[2] 

机构地区：[1]南京中医药大学信息技术学院,江苏南京210046 [2]南京中医药大学中药复方分离工程重点实验室,江苏南京210029

出　　处：《中国中药杂志》2011年第24期3389-3396,共8页China Journal of Chinese Materia Medica

基　　金：国家自然科学基金项目(30171161;30572374;30873449;30973950;81072749);国家"十一五"科技支撑计划项目(2006BAI09B07-03);教育部博士点基金项目(20060315007)

摘　　要：中药分离技术是中药研发领域的关键技术,是中药制剂现代化的重要环节。计算机化学能够从中药体系的"复杂数据"中构造模型、寻找规律。该文分析了计算机化学应用到中药分离领域的适用性、技术关键、基本模式及常用算法,介绍了提取动力学的数学模型及其建立方法,研究了基于计算机化学的中药膜过程的若干问题,并展望了该研究方向的应用前景。Separating technique of Chinese medicine is not only a key technique in the field of Chinese medicine＇s research and development,but also a significant step in the modernization of Chinese medicinal preparation.Computer chemistry can build model and look for the regulations from Chinese medicine system which is full of complicated data.This paper analyzed the applicability,key technology,basic mode and common algorithm of computer chemistry applied in the separation of Chinese medicine,introduced the mathematic mode and the setting methods of Extraction kinetics,investigated several problems which based on traditional Chinese medicine membrane procession,and forecasted the application prospect.

关 键 词：中药分离 计算机化学 中药提取 系统设计 膜过程 

分 类 号：TQ461[化学工程—制药化工]