Molecule Structural and Dynamic Properties Reveal the Release Rate of Odor-Active Compounds in Stewed Chicken

IF 5.7 1区农林科学 Q1 AGRICULTURE, MULTIDISCIPLINARY

Journal of Agricultural and Food Chemistry Pub Date : 2025-04-16 DOI:10.1021/acs.jafc.5c01080

Yue Liu, Kangyu Wang, Ke Bi, Lina Xu, Prince Chisoro, Fei Pan, Ping Yang, Chunhui Zhang, Imre Blank

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Abstract

This study investigated the mechanism of odor release in meat proteins, using stewed chicken as a model. The aim was to substantiate to which extent odor release rates (ORR) depend on structural features of odorants. 52 odor-active compounds were screened following the molecular sensory science approach. Machine learning methods were trained with 14 key molecular descriptors to find correlation between ORR and the molecular structure of odorants. Molecular dynamics simulations were used to investigate the interaction between 18 odorants having odor activity values (OAV) ≥ 1 and heat-denatured myosin (HDM). The ORR is determined by the binding between odor molecules and HDM, with hydrophobic interactions acting as the primary driving force. These findings were confirmed by headspace measurements and the use of bond-disrupting agents. For the first time, this study examines the release behavior and structure–activity relationship of odor compounds with food proteins from a molecular structure perspective.

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分子结构和动态特性揭示了炖鸡中气味活性化合物的释放率

本研究以炖鸡为研究对象，探讨了肉蛋白中气味释放的机制。目的是证实气味释放率（ORR）在多大程度上取决于气味剂的结构特征。采用分子感觉科学方法筛选了52种具有气味活性的化合物。使用14个关键分子描述符训练机器学习方法，寻找ORR与气味剂分子结构之间的相关性。采用分子动力学模拟研究了18种气味活性值(OAV)≥1的气味剂与热变性肌球蛋白（HDM）的相互作用。ORR是由气味分子与HDM之间的结合决定的，疏水相互作用是主要驱动力。这些发现被顶空测量和破坏键剂的使用所证实。本研究首次从分子结构角度探讨了气味化合物与食物蛋白的释放行为及其构效关系。

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来源期刊

Journal of Agricultural and Food Chemistry 农林科学-农业综合

CiteScore

9.90

自引率

8.20%

发文量

1375

审稿时长

2.3 months

期刊介绍： The Journal of Agricultural and Food Chemistry publishes high-quality, cutting edge original research representing complete studies and research advances dealing with the chemistry and biochemistry of agriculture and food. The Journal also encourages papers with chemistry and/or biochemistry as a major component combined with biological/sensory/nutritional/toxicological evaluation related to agriculture and/or food.