Structural features of endogenous polyphenols in modulating oxidative stability of tiger nut (Cyperus esculentus L.) oil: Insights from Rancimat and density functional theory.

IF 10.4 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry Pub Date : 2026-09-01 Epub Date: 2026-06-16 DOI:10.1016/j.foodchem.2026.150085

Zheng-Kai Zhang, Meng-Chen Xie, Jun-Chao Zhang, Lu-Han Sun, Xiao-Shuang Cai, Run-Yang Zhang, Guo-Qiang Zhang, Hua-Min Liu

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引用次数: 0

Abstract

Tiger nut oil (TNO) is a promising edible oil with remarkable oxidative stability. This study aimed to elucidate the structure-activity features of endogenous free polyphenols in TNO associated with its oxidative stability. UPLC-ESI-Q TRAP-MS/MS analysis revealed 36 flavonoids, 14 phenolic acids, and 4 lignans in TNO. The major polyphenols covering the main skeletons were then added to stripped tiger nut oil (STNO) without any antioxidants. A combination of multi-method, including Rancimat assay and quantum chemical computations based on density functional theory was employed. Notably, quercetin, catechin, and eriodictyol showed the strongest antioxidant effect. The bond dissociation energy (75.69-100.89 kcal/mol) of the test polyphenol is significantly lower than its ionization potential and proton affinity. These differences were related to the structural characteristics of the polyphenols. This work improves our understanding of the key role of free polyphenols in the oxidative stability of TNO.

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内源性多酚调节虎坚果油氧化稳定性的结构特征：来自ranimat和密度泛函理论的见解。

虎坚果油具有良好的氧化稳定性，是一种很有发展前景的食用油。本研究旨在阐明TNO中内源性游离多酚的结构活性特征及其氧化稳定性。UPLC-ESI-Q TRAP-MS/MS分析显示，TNO中含有36种黄酮、14种酚酸和4种木脂素。然后将覆盖主要骨架的主要多酚添加到没有任何抗氧化剂的剥去老虎坚果油（STNO）中。采用基于密度泛函理论的量子化学计算和ranimat实验等多种方法相结合的方法。其中，槲皮素、儿茶素和碘二醇的抗氧化作用最强。所测多酚的键解离能（75.69 ~ 100.89 kcal/mol）明显低于其电离势和质子亲和力。这些差异与多酚的结构特征有关。这项工作提高了我们对游离多酚在TNO氧化稳定性中的关键作用的理解。

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来源期刊

Food Chemistry 工程技术-食品科技

CiteScore

16.30

自引率

10.20%

发文量

3130

审稿时长

122 days

期刊介绍： Food Chemistry publishes original research papers dealing with the advancement of the chemistry and biochemistry of foods or the analytical methods/ approach used. All papers should focus on the novelty of the research carried out.