Rapid Identification of Medicinal Polygonatum Species and Predictive of Polysaccharides Using ATR‐FTIR Spectroscopy Combined With Multivariate Analysis

衰减全反射 偏最小二乘回归 化学 化学计量学 傅里叶变换红外光谱 药用植物 色谱法 红外光谱学 植物 数学 生物 有机化学 量子力学 统计 物理
作者
Yue Wang,Yue Wang,Zhimin Li,Wanyi Li,Yuanzhong Wang,Yuanzhong Wang
出处
期刊:Phytochemical Analysis [Wiley]
卷期号:36 (3): 677-692 被引量:8
标识
DOI:10.1002/pca.3459
摘要

In this study, we employed ATR-FTIR spectroscopy and various treatments to discern different medicinal Polygonatum species. We also evaluated the effects of preprocessing methods and variable selection on the prediction of PK polysaccharides by PLSR and Kernel-PLSR models. Among them, the ResNet model can achieve 100% correct classification of medicinal Polygonatum species without complex spectral preprocessing. Furthermore, the Kernel-PLSR model based on SD-ATR-FTIR spectra had the best performance in polysaccharides prediction. In summary, by integrating ATR-FTIR spectroscopy with multivariate analysis, this research accomplished the classification of medicinal Polygonatum species and the prediction of polysaccharides. The methodology offers the benefits of speed, environmental sustainability, and precision, highlighting its significant potential for practical applications. In future research, on the one hand, it can be further investigated using a portable infrared spectrometer, and on the other hand, infrared spectroscopy can also be applied to the prediction of other chemical components of medicinal Polygonatum species.
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