Identification of adulteration in botanical samples with untargeted metabolomics

Adulteration remains an issue in the dietary supplement industry, including botanical supplements. While it is common to employ a targeted analysis to detect known adulterants, this is difficult when little is known about the sample set. With this study, untargeted metabolomics using liquid chromatography coupled to ultraviolet-visible spectroscopy (LC-UV) or high-resolution mass spectrometry (LC-MS) was employed to detect adulteration in botanical dietary supplements. A training set was prepared by combining Hydrastis canadensis L. with a known adulterant, Coptis chinensis Franch., in ratios ranging from 5 to 95% adulteration. The metabolomics datasets were analyzed using both unsupervised (principal component analysis and composite score) and supervised (SIMCA) techniques. Palmatine, a known H. canadensis metabolite, was quantified as a targeted analysis comparison. While the targeted analysis was the most sensitive method tested in detecting adulteration, statistical analyses of the untargeted metabolomics datasets detected adulteration of the goldenseal samples, with SIMCA providing the greatest discriminating potential.

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Work Title Identification of adulteration in botanical samples with untargeted metabolomics
Access
Open Access
Creators
  1. E. Diane Wallace
  2. Daniel A. Todd
  3. James M. Harnly
  4. Nadja B. Cech
  5. Joshua J. Kellogg
Keyword
  1. Metabolomics
  2. Goldenseal
  3. Hydrastis canadensis
  4. Mass spectrometry
  5. Principal component analysis
  6. Dietary supplements
License In Copyright (Rights Reserved)
Work Type Article
Publisher
  1. Analytical and Bioanalytical Chemistry
Publication Date April 29, 2020
Publisher Identifier (DOI)
  1. https://doi.org/10.1007/s00216-020-02678-6
Deposited November 02, 2023

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Version 1
published

  • Created
  • Updated
  • Added Creator Emily Wallace
  • Added Creator Daniel Todd
  • Added Creator James Harnly
  • Added Creator Nadja Cech
  • Added Creator Joshua Kellogg
  • Added Wallace et al. - 2020 - Identification of adulteration in botanical samples with untargeted metabolomics.pdf
  • Updated Publication Date, License Show Changes
    Publication Date
    • 2020
    License
    • https://rightsstatements.org/page/InC/1.0/
  • Published
  • Updated Keyword, Publisher, Publisher Identifier (DOI), and 1 more Show Changes
    Keyword
    • metabolomics, botanical, adulteration, Hydrastis canadensis, goldenseal, dietary supplement, natural products
    • Metabolomics, Goldenseal, Hydrastis canadensis, Mass spectrometry, Principal component analysis, Dietary supplements
    Publisher
    • Analytical and Bioanalytical Chemistry
    Publisher Identifier (DOI)
    • 10.1007/s00216-020-02678-6
    • https://doi.org/10.1007/s00216-020-02678-6
    Publication Date
    • 2020
    • 2020-04-29
  • Renamed Creator E. Diane Wallace Show Changes
    • Emily Wallace
    • E. Diane Wallace
  • Renamed Creator Daniel A. Todd Show Changes
    • Daniel Todd
    • Daniel A. Todd
  • Renamed Creator James M. Harnly Show Changes
    • James Harnly
    • James M. Harnly
  • Renamed Creator Nadja B. Cech Show Changes
    • Nadja Cech
    • Nadja B. Cech
  • Renamed Creator Joshua J. Kellogg Show Changes
    • Joshua Kellogg
    • Joshua J. Kellogg
  • Updated