Untargeted metabolomics: An emerging approach to determine the composition of herbal products
Open accessAbstract
Natural remedies, such as those based on traditional Chinese medicines, have become more popular also in western countries over the last 10 years. The composition of these herbal products is largely unknown and difficult to determine. Moreover, since plants respond to their environment changing the metabolome, the composition of plant material can vary depending on the plant growth conditions. However, there is a growing need of a deeper knowledge on such natural remedies also in view of the growing number of reports of toxicity following the consumption of herbal supplements. Untargeted metabolomics is a useful approach for the simultaneous analysis of many compounds in herbal products. In particular, liquid chromatography/mass spectrometry (LC-MS) can determine presence, amount and sometime structures of plant metabolites in complex herbal mixtures, with significant advantages over techniques such as nuclear magnetic resonance (NMR) spectroscopy and gas chromatography/mass spectrometry (GC-MS).
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Untargeted metabolomics-based methods can identify geographical origin, species, and variety-specific variations.
“This includes the use of untargeted metabolomics-based methods to identify geographical origin, species, and variety-specific variations [11,12].”
From Rapid metabolic fingerprinting with the aid of chemometric models to identify authenticity of natural medicines: Turmeric, Ocimum, and Withania somnifera study (2023) · cites this paper as [11]
Section 3.1 reports that plant metabolite profiles vary across growing locations, and Section 2.3 describes species-dependent metabolic profiles. These passages support detecting geographic and species-related variation, but the paper does not establish that untargeted metabolomics identifies a sample’s geographical origin or detects variety-specific variation. (LLM, conf=0.83)
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- Authors
- Commisso, M., Strazzer, P., Toffali, K., Stocchero, M., & Guzzo, F.
- Affiliations
- University of Verona (IT)
- S-IN Soluzioni Informatiche, Via Salvemini 9, 36100 Vicenza, Italy
- Corresponding author
- Guzzo, Flavia
- Venue
- Computational and Structural Biotechnology Journal
- Published
- 2013-01
- Volume
- 4
- Issue
- 5
- Pages
- e201301007-e201301007
- ISSN
- 2001-0370 (ISSN-L)
- PMC
- PMC3962130
- OpenAlex
- W2128464104
- Cited by
- 146
- References
- 49
- Citations by year
- 2026: 3 · 2025: 10 · 2024: 15 · 2023: 7 · 2022: 6 · 2021: 27 · 2020: 17 · 2019: 9 · 2018: 8 · 2017: 14 · 2016: 16 · 2015: 11 · 2014: 3
- FWCI
- 0.94
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Licence
- Locations
- Computational and Structural Biotechnology Journal (publishedVersion, cc-by)
- Europe PMC (PubMed Central) (publishedVersion, cc-by)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
- Health Sciences › Medicine › Complementary and alternative medicine › Traditional Chinese Medicine Analysis
- Physical Sciences › Chemistry › Analytical Chemistry › Chromatography in Natural Products
- Keywords
- untargeted metabolomics, herbal products, traditional Chinese medicine, plant metabolites, herbal supplement toxicity, LC-MS, natural remedies
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