College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.
Jiangsu Kanion Pharmaceutical Co., Ltd., Lianyungang 222001, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2017 Jul 5;182:73-80. doi: 10.1016/j.saa.2017.04.004. Epub 2017 Apr 6.
There is a growing need for the effective on-line process monitoring during the manufacture of traditional Chinese medicine to ensure quality consistency. In this study, the potential of near infrared (NIR) spectroscopy technique to monitor the extraction process of Flos Lonicerae Japonicae was investigated. A new algorithm of synergy interval PLS with genetic algorithm (Si-GA-PLS) was proposed for modeling. Four different PLS models, namely Full-PLS, Si-PLS, GA-PLS, and Si-GA-PLS, were established, and their performances in predicting two quality parameters (viz. total acid and soluble solid contents) were compared. In conclusion, Si-GA-PLS model got the best results due to the combination of superiority of Si-PLS and GA. For Si-GA-PLS, the determination coefficient (R) and root-mean-square error for the prediction set (RMSEP) were 0.9561 and 147.6544μg/ml for total acid, 0.9062 and 0.1078% for soluble solid contents, correspondingly. The overall results demonstrated that the NIR spectroscopy technique combined with Si-GA-PLS calibration is a reliable and non-destructive alternative method for on-line monitoring of the extraction process of TCM on the production scale.
随着对中药质量一致性的要求不断提高,在线过程监测在中药生产中变得越来越重要。本研究旨在探讨近红外(NIR)光谱技术在金银花提取过程监测中的应用。提出了一种新的基于遗传算法的协同区间偏最小二乘法(Si-GA-PLS)算法用于建模。建立了四种不同的偏最小二乘模型,即全谱偏最小二乘(Full-PLS)、区间偏最小二乘(Si-PLS)、遗传算法偏最小二乘(GA-PLS)和协同区间遗传算法偏最小二乘(Si-GA-PLS),并比较了它们对两个质量参数(总酸和可溶性固形物含量)的预测性能。结果表明,由于 Si-PLS 和 GA 的优势相结合,Si-GA-PLS 模型的预测效果最佳。对于 Si-GA-PLS 模型,总酸的预测集决定系数(R)和预测均方根误差(RMSEP)分别为 0.9561 和 147.6544μg/ml,可溶性固形物含量的 R 和 RMSEP 分别为 0.9062 和 0.1078%。结果表明,NIR 光谱技术结合 Si-GA-PLS 校准可以为中药生产过程中的提取过程提供一种可靠的、非破坏性的在线监测方法。