化学计量学
色谱法
主成分分析
指纹(计算)
高效液相色谱法
偏最小二乘回归
线性判别分析
化学
层次聚类
人工智能
聚类分析
机器学习
计算机科学
作者
Lei Cheng,Jingjing Dong,Jun Qian,Yinglin Liu,Qingshu Yang,Xi Liu,Baozhong Duan
标识
DOI:10.1093/jaoacint/qsaf052
摘要
Abstract Background Rhizoma Paridis (RP) is economically significant but identifies complex traditional medicine materials, which can be accidentally contaminated, deliberately substituted, or admixed with other species of similar morphological characteristics. This issue can affect quality and safety issues. Objective In this study, the screening technique to detect adulteration in RP was developed using multiple fingerprints and chemometrics. Methods Fourier transforms infrared (FT-IR) spectroscopy and high-performance liquid chromatography (HPLC) combined with chemometrics, including similarity analysis (SA), principal component analysis (PCA), orthogonal partial least squares discriminant analysis (OPLS-DA), and hierarchical clustering analysis (HCA), were applied for the identification of RP and its adulterants. Results HPLC analysis was more sensitive than FT-IR for differentiating RP from its contaminants. Except for the slight overlapping between Paris polyphylla var. chinensis (Franch.) Hand.-Mazz. and Paris mairei H.Lév., the remaining species could be successfully differentiated by the chemometrics method. Conclusion This study indicates that the fingerprint of FT-IR and HPLC combined with chemometrics may be a valuable tool for discriminating RP and its adulterants. Highlights FT-IR and HPLC combined with chemometrics analysis were developed to discriminate between RP and adulterants. The chemometrics analysis using SA and OPLS-DA indicate significant differentiation in the chemical composition of these species. This research provides important chemotaxonomic references in species identification.
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