A calibration method based on model updating strategy for the quantitative model of Radix Astragali extract

根(腹足类) 校准 计算机科学 色谱法 偏最小二乘回归 化学 人工智能 生物系统 模式识别(心理学) 数学 机器学习 生物 统计 植物
作者
Xiaoqi Zhuang,Mei Su,Yue Sun,Meng Yuan,Linlin Wang,Zhonghu Zhang,Jing Sun,Hengchang Zang,Hong Jiang,Lei Nie
出处
期刊:Microchemical Journal [Elsevier BV]
卷期号:181: 107690-107690 被引量:6
标识
DOI:10.1016/j.microc.2022.107690
摘要

The main purpose of this study was to construct a calibration model based on model updating strategy for the quantitative analysis of three active components in Radix Astragali extract (RAE). To verify the feasibility of quantitative model by a small portable near-infrared (NIR) spectrometer, a comparison with Fourier Transform near-infrared (FT-NIR) spectrometer was also carried out. Partial least square regression (PLSR) models were established for quantitation of three ingredients including astragaloside IV (AST IV), calycosin-7-glucoside (CG) and astragaloside polysaccharide (APS) for quality control and evaluation of RAE. For new samples, a model-based update strategy was proposed to correct the quantitative models for reducing the influence of the manufacturer and extraction method on the NIR model. A novel Cluster Center Distance (CCD) method was also proposed to select the representative candidate samples added to the calibration set for updating the calibration model which was more suitable for new samples, and three sample-selection methods such as Random sampling (RS), Kennard-Stone (KS) and joint x-y distances (SPXY) were used for comparison. The results indicated that the established calibration method based on a model updating strategy might improve the model's adaptability to new samples significantly. The proposed CCD method had certain advantages in model update and could improve the model's accuracy in predicting the new samples.
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