鉴于中医药复杂巨系统求解过程在数学上的不可描述性,借鉴国内外先进的计算机化学与粉体材料科学理念与方法,以由水溶性和脂溶性两类物质组成的复方丹参制剂处方为模型药物,采集有效部位物料体系的物理化学特征参数(有关化学成分的熵、焓、表面能、电性等)、相关复合工艺特征参数(操作温度、搅拌速度、包覆时间等)及目的产物复合粒子性能特征参数(微结构参数与生物药剂学性能)等数据,建立中药复合粒子设计与制备工艺小型数据库,应用中药学、计算机化学、物理化学等跨学科交叉研究"中药粒子复合技术"的规律,探索中药复合粒子制备工艺微/纳米尺度有序组合机制,尝试以现代物理化学手段调控中药多元组分微结构及性能。为中药复方体系实现"表征参数检测—工艺过程参数筛选—目的产物性能优化"提供一种全新的研究模式。

Seeing that the complex giant system solving process of traditional Chinese medicine in mathematics is not descriptive and drawing on the advanced concepts of modern computer chemistry and materials science, Compound Danshen prescription consisting of both water-and fat-soluble substances was selected as a drug model to collect the physicochemical characteristic parameters of the effective part of material system (the chemical composition of the entropy, enthalpy, surface energy, and electricity, etc.), complex process-related characteristic parameters (operating temperature, stirring speed, and coating time, etc.), compound performance characteristic parameters of the product particle (micro-structural parameters and properties of biological agents), and other data, so as to establish a small database for the design and preparation of composite particles technology, study the regularity of “Chinese particle composite technology” by cross applying the knowledge of Chinese materia medica (CMM), computer chemistry, physicochemistry, explore the micro/nano-scale orderly combination mechanisms of CMM composite particles, try to control the microstructure and properties of multiple components by using modern physicochemical means, and provide a new research model for the achievement of “characterization parameter detection-process parameters screening-target product optimization” in CMM compounds research.

国家自然科学基金资助项目(30973950);教育部博士点科研基金资助项目(20060315007);江苏省教育厅自然科学基金资助项目(05KJD360155)