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Cited by 50Traditional Chinese Medicine AnalysisPharmacological Effects of Natural CompoundsSpectroscopy and Chemometric Analyses

Metabolite Profiling and Classification of DNA-Authenticated Licorice Botanicals

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Simmler, Charlotte, Anderson, Jeffrey R., Gauthier, Laura, Lankin, David C., McAlpine, James B., Chen, Shao-Nong, Pauli, Guido F.·2015·Journal of Natural Products
DOI 10.1021/acs.jnatprod.5b00342PMC PMC4553119
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Abstract

Raw licorice roots represent heterogeneous materials obtained from mainly three Glycyrrhiza species. G. glabra, G. uralensis, and G. inflata exhibit marked metabolite differences in terms of flavanones (Fs), chalcones (Cs), and other phenolic constituents. The principal objective of this work was to develop complementary chemometric models for the metabolite profiling, classification, and quality control of authenticated licorice. A total of 51 commercial and macroscopically verified samples were DNA authenticated. Principal component analysis and canonical discriminant analysis were performed on (1)H NMR spectra and area under the curve values obtained from UHPLC-UV chromatograms, respectively. The developed chemometric models enable the identification and classification of Glycyrrhiza species according to their composition in major Fs, Cs, and species specific phenolic compounds. Further key outcomes demonstrated that DNA authentication combined with chemometric analyses enabled the characterization of mixtures, hybrids, and species outliers. This study provides a new foundation for the botanical and chemical authentication, classification, and metabolomic characterization of crude licorice botanicals and derived materials. Collectively, the proposed methods offer a comprehensive approach for the quality control of licorice as one of the most widely used botanical dietary supplements.

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Cited by

Sorted by citations

Authors
Simmler, C., Anderson, J. R., Gauthier, L., Lankin, D. C., McAlpine, J. B., Chen, S.-N., & Pauli, G. F.
Affiliations
University of Illinois Chicago (US)
Corresponding author
  • Simmler, Charlotte
  • Pauli, Guido F.
ORCID
Venue
Journal of Natural Products
Publisher
American Chemical Society (ACS)
Published
2015-08-05
Volume
78
Issue
8
Pages
2007-2022
ISSN
  • 0163-3864 (ISSN-L)
  • 1520-6025
DOI
10.1021/acs.jnatprod.5b00342
PMC
PMC4553119
OpenAlex
W1862430576
Cited by
50
References
0
Citations by year
2026: 3 · 2025: 2 · 2024: 3 · 2023: 7 · 2022: 6 · 2021: 5 · 2020: 1 · 2019: 1 · 2018: 5 · 2017: 9 · 2016: 5 · 2015: 2 · 2014: 1
FWCI
13.74
Type
journal article
Language
en
Open access
Locations
  • Journal of Natural Products (publishedVersion)
  • PubMed (publishedVersion)
  • PubMed Central (acceptedVersion)
Funders
  • Office of Dietary Supplements (P50AT000155)
  • National Center for Complementary and Integrative Health (P50AT000155, RC2AT005899)
Topics
  • Health Sciences › Medicine › Complementary and alternative medicine › Traditional Chinese Medicine Analysis
  • Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Pharmacology › Pharmacological Effects of Natural Compounds
  • Physical Sciences › Chemistry › Analytical Chemistry › Spectroscopy and Chemometric Analyses
Keywords
licorice, Glycyrrhiza uralensis, Glycyrrhiza inflata, DNA authentication, metabolite profiling, flavanones, chalcones, phenolic compounds, species classification, chemometric models, quality control, herbal supplements
MeSH terms
DNA, Glycyrrhiza, Phenols, Quality Control, Molecular Structure, Dietary Supplements, Nuclear Magnetic Resonance, Biomolecular, Flavanones, Chalcones

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