典型水胶体对杂环胺形成的抑制作用及其机理:基于量子化学计算分析的研究

IF 6.2 2区 农林科学 Q1 FOOD SCIENCE & TECHNOLOGY
Tiantian Huang, Pin Jiang, Tao Li, Guangyu Li, Yuyu He, Yuezheng Kuang, Yijie Wang
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引用次数: 0

摘要

作为增稠剂,水胶体越来越受到研究人员的关注。虽然它们表现出明显的自由基淬灭能力,证明了杂环胺(HAs)通过阻断自由基通路而具有潜在的抑制能力,但其抑制作用和机制仍不清楚。本研究利用密度泛函理论研究了三种典型的水胶体(海藻酸、壳聚糖和卡拉胶)对炸丸子中游离和结合的 HAs 的影响及其淬灭自由基的机理。结果表明,这三种水胶体都能有效抑制 HAs 的生成。游离 HAs 的最大抑制率为 33.33%,结合 HAs 的最大抑制率为 23.18%。苯乙醛、乙二醛和甲基乙二醛都受到了明显的抑制,这表明水胶体通过抑制中间产物的生成来缓解 HAs 的生成。目前,三种水胶体有效地抑制了总自由基的生成。前沿轨道和密度泛函理论分析表明,卡拉胶的 HOMO-LUMO 能隙、电离电位最低,亲核指数和化学电位最高,更容易与自由基发生反应。研究结果表明,三种亲水胶体能有效抑制 HAs,为它们在食品加工和安全领域的应用提供了理论支持。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

The inhibition effect and mechanism of typical hydrocolloids on the formation of heterocyclic amines: A study based on quantum chemical computation analysis

The inhibition effect and mechanism of typical hydrocolloids on the formation of heterocyclic amines: A study based on quantum chemical computation analysis
Hydrocolloids, as thickeners, have been receiving increasing attention from researchers. Although they exhibit significant free radical quenching abilities, which demonstrate potential heterocyclic amines (HAs) inhibitory capabilities by blocking the free radical pathway, the inhibitory effect and mechanism are still unclear. This study investigated the effects of three typical hydrocolloids (alginic acid, chitosan, and carrageenan) on both free and bound HAs in fried meatballs, along with their mechanisms of free radical quenching using density functional theory. The result showed that all three hydrocolloids can effectively inhibit the generation of HAs. The maximum inhibition rate reached 33.33% for free HAs and 23.18% for bound HAs. Phenylacetaldehyde, glyoxal and methyl glyoxal, were significantly inhibited, indicating that hydrocolloids alleviated the production of HAs by inhibiting the generation of intermediates. At moment, three hydrocolloids effectively inhibited the generation of total free radicals. Frontier orbital and density functional theory analysis revealed that carrageenan had the lowest HOMO-LUMO energy gaps, ionization potential, highest nucleophilic index, chemical potential, and was more likely to react with free radicals. The results of this study indicate that three hydrocolloids can effectively inhibit HAs and provide theoretical support for their applications in food processing and safety.
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来源期刊
Current Research in Food Science
Current Research in Food Science Agricultural and Biological Sciences-Food Science
CiteScore
7.40
自引率
3.20%
发文量
232
审稿时长
84 days
期刊介绍: Current Research in Food Science is an international peer-reviewed journal dedicated to advancing the breadth of knowledge in the field of food science. It serves as a platform for publishing original research articles and short communications that encompass a wide array of topics, including food chemistry, physics, microbiology, nutrition, nutraceuticals, process and package engineering, materials science, food sustainability, and food security. By covering these diverse areas, the journal aims to provide a comprehensive source of the latest scientific findings and technological advancements that are shaping the future of the food industry. The journal's scope is designed to address the multidisciplinary nature of food science, reflecting its commitment to promoting innovation and ensuring the safety and quality of the food supply.
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