Evaluation of four different analytical tools to determine the regional origin of Gastrodia elata and Rehmannia glutinosa on the basis of metabolomics study

Dong Kyu Lee, Dong Kyu Lim, Jung A. Um, Chang Ju Lim, Ji Yeon Hong, Young A. Yoon, Yeonsuk Ryu, Hyo Jin Kim, Hi Jae Cho, Jeong Hill Park, Young Bae Seo, Kyunga Kim, Johan Lim, Sung Won Kwon, Jeongmi Lee

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


Chemical profiles of medicinal plants could be dissimilar depending on the cultivation environments, which may influence their therapeutic efficacy. Accordingly, the regional origin of the medicinal plants should be authenticated for correct evaluation of their medicinal and market values. Metabolomics has been found very useful for discriminating the origin of many plants. Choosing the adequate analytical tool can be an essential procedure because different chemical profiles with different detection ranges will be produced according to the choice. In this study, four analytical tools, Fourier transform near-infrared spectroscopy (FT-NIR), 1H-nuclear magnetic resonance spectroscopy (1H-NMR), liquid chromatography-mass spectrometry (LC-MS), and gas chromatography-mass spectroscopy (GC-MS) were applied in parallel to the same samples of two popular medicinal plants (Gastrodia elata and Rehmannia glutinosa) cultivated either in Korea or China. The classification abilities of four discriminant models for each plant were evaluated based on the misclassification rate and Q2 obtained from principal component analysis (PCA) and orthogonal projection to latent structures-discriminant analysis (OPLS-DA), respectively. 1H-NMR and LC-MS, which were the best techniques for G. elata and R. glutinosa, respectively, were generally preferable for origin discrimination over the others. Reasoned by integrating all the results, 1H-NMR is the most prominent technique for discriminating the origins of two plants. Nonetheless, this study suggests that preliminary screening is essential to determine the most suitable analytical tool and statistical method, which will ensure the dependability of metabolomics-based discrimination.

Original languageEnglish (US)
Pages (from-to)6294-6308
Number of pages15
Issue number5
StatePublished - May 2014


  • Gastrodia elata
  • Multivariate statistical analysis
  • Origin discrimination
  • Plant metabolomics
  • Rehmannia glutinosa
  • Traditional medicine

ASJC Scopus subject areas

  • Analytical Chemistry
  • Chemistry (miscellaneous)
  • Molecular Medicine
  • Pharmaceutical Science
  • Drug Discovery
  • Physical and Theoretical Chemistry
  • Organic Chemistry


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