Rapid monitoring approaches for concentration process of lanqin oral solution by near-infrared spectroscopy and chemometric models

偏最小二乘回归 黄芩苷 化学计量学 过程分析技术 残余物 极限学习机 近红外光谱 化学 生物系统 数学 计算机科学 色谱法 人工智能 统计 算法 工程类 人工神经网络 高效液相色谱法 物理 生物过程 生物 量子力学 化学工程
作者
Hui Ma,Hongye Pan,Danguang Pan,Hongfei Ni,Xuejing Feng,Xuesong Liu,Yong Chen,Yongjiang Wu,Niu Luo
出处
期刊:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Elsevier BV]
卷期号:242: 118792-118792 被引量:6
标识
DOI:10.1016/j.saa.2020.118792
摘要

Qualitative and quantitative detection methods based on near-infrared spectroscopy (NIRs) have been proposed in the process analysis of traditional Chinese medicine in recent years. In this study, rapid monitoring methods were developed for quality control of concentration process of lanqin oral solution (LOS). Partial least squares regression (PLSR) method was adopted to construct quantitative models for epigoitrin, geniposide, baicalin, berberine hydrochloride and density. Simultaneously, the genetic algorithm joint extreme learning machine (GA-ELM) was first applied in qualitative analysis of NIRs to distinguish end point of concentration process. Results of PLSR models were satisfactory with the relative standard error of calibration valued at 3.80%, 3.75%, 3.79%, 11.5% and 1.22% for epigoitrin, geniposide, baicalin, berberine hydrochloride and density respectively, and the residual predictive deviation values were higher than 3. For qualitative analysis, the GA-ELM model obtained 100% prediction accuracy. The PLSR quantitative models and the end point discrimination model constructed by GA-ELM correspond with the requirements of practical applications. The results indicate that NIRs in combination with chemometrics has great potential in improving the efficiency in production.
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