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Sparse Partial-least-squares Discriminant Analysis for Different Geographical Origins of Salvia miltiorrhiza by 1H-NMR-based Metabolomics

Authors

  • Miaomiao Jiang,

    1. Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    2. Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    3. Research and Development Center of TCM, Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin, PR China
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  • Chunhua Wang,

    1. Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    2. Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    3. Research and Development Center of TCM, Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin, PR China
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  • Yu Zhang,

    1. Central Laboratory, Guangdong Pharmaceutical University, Guangzhou, PR China
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  • Yifan Feng,

    Corresponding author
    1. Central Laboratory, Guangdong Pharmaceutical University, Guangzhou, PR China
    • Correspondence to: Yan Zhu, Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, PR China; and Yifan Feng, Central Laboratory, Guangdong Pharmaceutical University, Guangzhou 510006, PR China. E-mail: yanzhu.harvard@gmail.com; yffeng@139.com

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  • Yuefei Wang,

    1. Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    2. Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    3. Research and Development Center of TCM, Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin, PR China
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  • Yan Zhu

    Corresponding author
    1. Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    2. Key Laboratory of TCM Chemistry and Analysis, Tianjin University of Traditional Chinese Medicine, Tianjin, PR China
    3. Research and Development Center of TCM, Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin, PR China
    • Correspondence to: Yan Zhu, Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, PR China; and Yifan Feng, Central Laboratory, Guangdong Pharmaceutical University, Guangzhou 510006, PR China. E-mail: yanzhu.harvard@gmail.com; yffeng@139.com

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  • In commemoration of Professer Xinsheng Yao's 80th birthday

ABSTRACT

Introduction

1H nuclear magnetic resonance (NMR) spectroscopy has clear advantages in respect of detecting various primary and secondary metabolites in plants simultaneously, non-targeted and non-destructively.

Objective

To establish a method for detecting both primary and secondary metabolites in Salvia miltiorrhiza and screening potential geographical biomarkers effectively.

Methods

Primary and secondary metabolites of S. militiorrhiza were detected and identified by 1H-NMR fingerprint. Sparse partial-least-squares discriminant analysis (sPLS-DA) was undertaken for classification and variable selection in a one-step procedure and the classification error rates were implemented to estimate the cluster validation of sPLS-DA. Potential candidate metabolites by characterised different geographical origins of S. miltiorrhiza were identified according to the sparse loading vectors. The levels of these metabolites were quantified and evaluated by Kruskal–Wallis tests and also showed significant difference.

Results

Twenty-six primary and secondary metabolites were identified in samples from different regions. The results suggest that malonate and succinate can be possibly recognised as the key markers for discriminating the geographical origin of S. miltiorrhiza based on the regulation and influence on the root respiratory rates of plants.

Conclusion

1H-NMR metabolic profiling combination with PLS-DA provided a very efficient and visualised representation of similarities and dissimilarities between S. miltiorrhiza samples. Copyright © 2013 John Wiley & Sons, Ltd.

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