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基于数据驱动和机制模型的丹参提取动力学研究
引用本文:陈泽麒,谢欣媛,陈思铭,傅豪,瞿海斌.基于数据驱动和机制模型的丹参提取动力学研究[J].中草药,2022,53(1):51-59.
作者姓名:陈泽麒  谢欣媛  陈思铭  傅豪  瞿海斌
作者单位:浙江大学药学院, 药物信息学研究所, 浙江 杭州 310058;组分中药国家重点实验室 浙江大学交叉创新中心, 浙江杭州 310058
基金项目:国家“重大新药创制”科技重大专项(2018ZX09201011-002)
摘    要:目的 获取丹参提取过程知识,提高丹参提取工艺质量控制水平.方法 基于数据驱动和机制模型考察丹参提取过程中丹酚酸的转移、转化规律.首先基于机制模型,获得不同工艺条件下丹酚酸的提取动力学参数,再通过响应曲面法建立工艺参数与提取动力学参数间关系.结果 建立了丹酚酸B (salvianolic acidB,SAB)、丹酚酸E(...

关 键 词:数据驱动  机理模型  丹参  提取  动力学模型  丹酚酸  紫草酸  丹参素
收稿时间:2021/7/18 0:00:00

Study on extraction kinetics of Salviae Miltiorrhizae Radix etRhizoma based on data-driven and mechanism model
CHEN Ze-qi,XIE Xin-yuan,CHEN Si-ming,FU Hao,QU Hai-bin.Study on extraction kinetics of Salviae Miltiorrhizae Radix etRhizoma based on data-driven and mechanism model[J].Chinese Traditional and Herbal Drugs,2022,53(1):51-59.
Authors:CHEN Ze-qi  XIE Xin-yuan  CHEN Si-ming  FU Hao  QU Hai-bin
Institution:Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China;Innovation Center in Zhejiang University, State Key Laboratory of Component-Based Chinese Medicine, Hangzhou 310058, China
Abstract:Objective In order to obtain the process knowledge of Danshen (Salviae Miltiorrhizae Radix et Rhizoma, SMRR) extraction and improve the level of quality control in extraction process. Methods The transfer and transformation rules of salvianolic acid in the extraction process of SMRR were studied based on data-driven and mechanism modeling methods. First, the extraction kinetic parameters of salvianolic acid under different process conditions were obtained by mechanism model, and then the relationship between the extraction kinetic parameters and process parameters was established by response surface methodology. Results The extraction kinetics models of salvianolic acid B, salvianolic acid E, lithospermic acid, salvianolic acid A, and salvianic acid were established. The results of model validation showed that the average absolute deviations of salvianolic acid B, salvianolic acid E, lithospermic acid, salvianolic acid A, and salvianic acid were 151.85, 27.76, 19.46, 214.61, 105.68, respectively, indicating that the models performed well. Conclusion This study revealed the relationship among raw material attributes, process parameters and product quality attributes in the extraction process of SMRR, and provided theoretical knowledge for the quality control of its extraction process.
Keywords:data-driven  mechanism model  Salviae Miltiorrhizae Radix et Rhizoma  extraction  kinetic model  salvianolic acid  lithospermic acid  danshensu
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