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Chemometric Analysis for Identification of Botanical Raw Materials for Pharmaceutical Use: A Case Study Using Panax notoginseng

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  • Jieqiang Zhu
  • Xiaohui Fan
  • Yiyu Cheng
  • Rajiv Agarwal
  • Christine M V Moore
  • Shaw T Chen
  • Weida Tong

Abstract

The overall control of the quality of botanical drugs starts from the botanical raw material, continues through preparation of the botanical drug substance and culminates with the botanical drug product. Chromatographic and spectroscopic fingerprinting has been widely used as a tool for the quality control of herbal/botanical medicines. However, discussions are still on-going on whether a single technique provides adequate information to control the quality of botanical drugs. In this study, high performance liquid chromatography (HPLC), ultra performance liquid chromatography (UPLC), capillary electrophoresis (CE) and near infrared spectroscopy (NIR) were used to generate fingerprints of different plant parts of Panax notoginseng. The power of these chromatographic and spectroscopic techniques to evaluate the identity of botanical raw materials were further compared and investigated in light of the capability to distinguishing different parts of Panax notoginseng. Principal component analysis (PCA) and clustering results showed that samples were classified better when UPLC- and HPLC-based fingerprints were employed, which suggested that UPLC- and HPLC-based fingerprinting are superior to CE- and NIR-based fingerprinting. The UPLC- and HPLC- based fingerprinting with PCA were able to correctly distinguish between samples sourced from rhizomes and main root. Using chemometrics and its ability to distinguish between different plant parts could be a powerful tool to help assure the identity and quality of the botanical raw materials and to support the safety and efficacy of the botanical drug products.

Suggested Citation

  • Jieqiang Zhu & Xiaohui Fan & Yiyu Cheng & Rajiv Agarwal & Christine M V Moore & Shaw T Chen & Weida Tong, 2014. "Chemometric Analysis for Identification of Botanical Raw Materials for Pharmaceutical Use: A Case Study Using Panax notoginseng," PLOS ONE, Public Library of Science, vol. 9(1), pages 1-10, January.
  • Handle: RePEc:plo:pone00:0087462
    DOI: 10.1371/journal.pone.0087462
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    Cited by:

    1. Xingchu Gong & Ying Zhang & Jianyang Pan & Haibin Qu, 2014. "Optimization of the Ethanol Recycling Reflux Extraction Process for Saponins Using a Design Space Approach," PLOS ONE, Public Library of Science, vol. 9(12), pages 1-20, December.
    2. Shuai Yao & Jingxian Zhang & Dandan Wang & Jinjun Hou & Wenzhi Yang & Juan Da & Luying Cai & Min Yang & Baohong Jiang & Xuan Liu & De-an Guo & Wanying Wu, 2015. "Discriminatory Components Retracing Strategy for Monitoring the Preparation Procedure of Chinese Patent Medicines by Fingerprint and Chemometric Analysis," PLOS ONE, Public Library of Science, vol. 10(3), pages 1-14, March.

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