Selective Inhibition of Lipid Oxidation by a Quercetagetin-Rich Extract from Tagetes erecta: A Chemometric Approach Using OPLS-DA and Selectivity Index Analysis.

Authors

Xiuqiong Huang, Mengxuan Fang, Ziyue Wang, Qing Zheng, Zhixing Qing, Jianguo Zeng

Published in

Molecules (Basel, Switzerland). Volume 31. Issue 16. Aug 19, 2026. Epub Aug 19, 2026.

Abstract

This study investigates the antioxidant efficacy and selectivity of a quercetagetin-rich extract (QG, 89% purity) from Tagetes erecta in soybean oil under accelerated storage conditions (65 °C, 56 days). Using gas chromatography-mass spectrometry (GC-MS) fatty acid profiling, Headspace Solid-Phase Microextraction Gas Chromatography-Mass Spectrometry (HS-SPME-GC-MS) volatile analysis, and Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) chemometrics, QG at 200 ppm was compared against a solvent control and propyl gallate (PG). QG preserved polyunsaturated fatty acids 5.2-fold more effectively than the control (p < 0.01), though it was less effective than PG in terms of overall Polyunsaturated Fatty Acid (PUFA) preservation. OPLS-DA-VIP analysis identified hexanal, hexanoic acid, and (E)-2-nonenal as preferentially suppressed volatiles (inhibition rates: 74.2%, 100%, and 81.2%, respectively), exceeding the average total volatile reduction (65.7%). A quantitative Selectivity Index (SI) combined with kinetic analysis supported preferential-rather than non-selective-inhibition of specific oxidation endpoints. Structure-activity relationship analysis suggested that the selectivity of the QG-rich extract may be associated with the catechol B-ring and unique 6-hydroxyl substitution of quercetagetin, its major component. The extract's purity corresponds to a registered feed additive (Ministry of Agriculture and Rural Affairs (MOA) No. 618, 2022), ensuring industrial applicability. These findings establish the quercetagetin-rich extract as a promising selective natural antioxidant for PUFA-rich oils.

PMID:
42653972
Bibliographic data and abstract were imported from PubMed on 30 Sep 2026.

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