Partial least-squares-discriminant analysis differentiating Chinese wolfberries by UPLC-MS and flow injection mass
Weiying Lu1, Qianqian Jiang, Haiming Shi
1Institute of Food and Nutraceutical Science, School of Agriculture and Biology, Shanghai Jiao Tong University , Shanghai 200240, China.
Abstract:
Lycium barbarum L. fruits (Chinese wolfberries) were differentiated for their cultivation locations and the cultivars by ultraperformance liquid chromatography coupled with mass spectrometry (UPLC-MS) and flow injection mass spectrometric (FIMS) fingerprinting techniques combined with chemometrics analyses. The partial least-squares-discriminant analysis (PLS-DA) was applied to the data projection and supervised learning with validation. The samples formed clusters in the projected data. The prediction accuracies by PLS-DA with bootstrapped Latin partition validation were greater than 90% for all models. The chemical profiles of Chinese wolfberries were also obtained. The differentiation techniques might be utilized for Chinese wolfberry authentication.
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