化学计量学
主成分分析
化学
红外光谱学
层次聚类
分析化学(期刊)
近红外光谱
光谱学
高效液相色谱法
色谱法
人工智能
聚类分析
光学
计算机科学
量子力学
物理
有机化学
作者
Yangchao Wei,Wei Fan,Xingbing Zhao,Weijia Wu,Hongmei Lü
标识
DOI:10.1080/00032719.2014.963595
摘要
Near-infrared spectroscopy coupled to chemometrics was used to develop a method to discriminate D. officinale, a high value herbal medicine, from non-D. officinale. Thirty-eight samples were analyzed with high performance liquid chromatography (HPLC) as a reference method. The near-infrared spectra were collected in reflectance mode. Spectral data were then processed by pretreatment methods and two chemometric classification techniques, principal component analysis (PCA) and hierarchical cluster analysis (HCA). Principal component analysis of near-infrared spectra and HPLC data revealed significant variation in D. officinale from other Dendrobium species. Moreover, a dendrogram based on hierarchical cluster analysis of the first derivative near-infrared spectra showed a chemical relationship among the samples. These results also approximately confirmed the results obtained by principal component analysis. In general, the results show that coupling of near-infrared spectroscopy to chemometric techniques is a valuable tool for rapid, inexpensive, and non-invasive authentication of D. officinale.
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