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Chemometric approach for profiling of metabolites of potential antioxidant activity in Apiaceae species based on LC-PDA-ESI-MS/MS and FT-NIR

dc.contributor.authorAtta, Noha H.
dc.contributor.authorHandoussa, Heba
dc.contributor.authorKlaiber, Iris
dc.contributor.authorHitzmann, Bernd
dc.contributor.authorHanafi, Rasha S.
dc.date.accessioned2024-09-03T08:18:53Z
dc.date.available2024-09-03T08:18:53Z
dc.date.issued2023de
dc.description.abstractChemometrics is a tool for data mining and unlocking the door for solving big data queries. Apiaceae is a family species which is commonly cultivated worldwide. Although members of this species are widely used as antioxidant, antibacterial, antifungal, and anti-inflammatory agents, their metabolites profiling remains ambiguous. Based on WHO support, chemometrics has been used in evaluating the quality and authenticity of the herbal products. The objective of this study is to profile and characterize phenolic metabolites in nine species from Egyptian cultivars and three different species of German cultivars from the Apiaceae family using multivariate analysis after LC-PDA-ESI-MS/MS and near infrared spectroscopy data are generated. Principal component analysis was successfully applied to distinguish between the nine Egyptian cultivars and the three German cultivars, and hierarchical cluster analysis also confirmed this distinctive clustering. Partial least square regression (PLS-R) models showed a relationship between phytochemicals and antioxidant activities. The metabolites responsible for the clustering pattern and variables important for projection (VIP) were identified, being twelve amongst nine Egyptian cultivar samples and thirteen amongst the Egyptian cultivar and the German cultivar comparison. The identified VIPs were also correlated with the antioxidant activity using PLS-R. In conclusion, the study showed novelty in the application of hyphenated analytical techniques and chemometrics that assist in quality control of herbal medicine.en
dc.identifier.urihttps://hohpublica.uni-hohenheim.de/handle/123456789/16240
dc.identifier.urihttps://doi.org/10.3390/separations10060347
dc.language.isoengde
dc.rights.licensecc_byde
dc.source2297-8739de
dc.sourceSeparations; Vol. 10, No. 6 (2023) 347de
dc.subjectAntioxidants
dc.subjectApiaceae
dc.subjectChemometrics
dc.subjectPhenolics
dc.subjectMetabolite profiling
dc.subject.ddc610
dc.titleChemometric approach for profiling of metabolites of potential antioxidant activity in Apiaceae species based on LC-PDA-ESI-MS/MS and FT-NIRen
dc.type.diniArticle
dcterms.bibliographicCitationSeparations, 10 (2023), 6, 347. https://doi.org/10.3390/separations10060347. ISSN: 2297-8739
dcterms.bibliographicCitation.issn2297-8739
dcterms.bibliographicCitation.issue6
dcterms.bibliographicCitation.journaltitleSeparations
dcterms.bibliographicCitation.volume10
local.export.bibtex@article{Atta2023, url = {https://hohpublica.uni-hohenheim.de/handle/123456789/16240}, doi = {10.3390/separations10060347}, author = {Atta, Noha H. and Handoussa, Heba and Klaiber, Iris et al.}, title = {Chemometric approach for profiling of metabolites of potential antioxidant activity in Apiaceae species based on LC-PDA-ESI-MS/MS and FT-NIR}, journal = {Separations}, year = {2023}, volume = {10}, number = {6}, }
local.export.bibtexAuthorAtta, Noha H. and Handoussa, Heba and Klaiber, Iris et al.
local.export.bibtexKeyAtta2023
local.export.bibtexType@article

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