弗洛斯
化学
近红外光谱
偏最小二乘回归
校准
遗传算法
均方误差
萃取(化学)
色谱法
光谱学
生物系统
分析化学(期刊)
数学
机器学习
计算机科学
统计
芦丁
抗氧化剂
生物化学
物理
量子力学
生物
作者
Yue Yang,Lei Wang,Yongjiang Wu,Xuesong Liu,Yu‐An Bi,Wei Xiao,Yong Chen
标识
DOI:10.1016/j.saa.2017.04.004
摘要
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 (Rp2) and root-mean-square error for the prediction set (RMSEP) were 0.9561 and 147.6544 μg/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.
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