« Previous AbstractMolecular basis of (E)-beta-farnesene-mediated aphid location in the predator Eupeodes corollae    Next AbstractMachine Learning-Assisted Volatile Organic Compound Gas Classification Based on Polarized Mixed-Potential Gas Sensors »

Food Chem

Title:		Deep exploration of lipid oxidation into flavor compounds: A density functional theory study on (E)-2-decenal thermal oxidative reaction
Author(s):		Wang B; Wang S; Wang Y; Zhang S; Lin X; Xu X; Ji C; Liang H; Dong L;
Address:		"School of Food Science and Technology, Dalian Polytechnic University, Dalian 116034, Liaoning, China; National Engineering Research Center of Seafood, Dalian 116034, Liaoning, China. School of Biotechnology, Dalian Polytechnic University, Dalian 116034, Liaoning, China. School of Food Science and Technology, Dalian Polytechnic University, Dalian 116034, Liaoning, China; National Engineering Research Center of Seafood, Dalian 116034, Liaoning, China. Electronic address: dongliang@dlpu.edu.cn"
Journal Title:		Food Chem
Year:		2023
Volume:		20230625
Issue:
Page Number:		136725 -
DOI:		10.1016/j.foodchem.2023.136725
ISSN/ISBN:		1873-7072 (Electronic) 0308-8146 (Linking)
Abstract:		"Unsaturated fatty aldehydes are the main products of fatty acid oxidation, and could be further oxidized to form volatile compounds with shorter carbon chains. Therefore, studying the oxidation of unsaturated fatty aldehydes is an important way to reveal the mechanism of food flavor formation during heating. In this study, volatile profiling of (E)-2-decenal during heating was firstly investigated by using thermal-desorption cryo-trapping combined with gas chromatography-mass spectrometry (GC-MS). A total of 38 volatile compounds were detected. Then, twenty-one reactions in the heating process of (E)-2-decenal were obtained by using density functional theory (DFT) calculations, and grouped into three oxidation pathways, namely, peroxide pathway, peroxyl radical pathway and alkoxy radical pathway. Meanwhile, the priority of these three pathways was the alkoxy radical reaction pathway > peroxide pathway > peroxyl radical reaction pathway. Moreover, the calculated results agreed well with the experimental results"
Keywords:		Density Functional Theory *Fatty Acids/analysis Peroxides Aldehydes/analysis Oxidative Stress *Volatile Organic Compounds/analysis (E)-2-decenal Dft Oxidation mechanism Quantum chemistry Volatile compounds;
Notes:		"MedlineWang, Binchen Wang, Shang Wang, Yi Zhang, Sufang Lin, Xinping Xu, Xianbing Ji, Chaofan Liang, Huipeng Dong, Liang eng England 2023/07/04 Food Chem. 2023 Dec 1; 428:136725. doi: 10.1016/j.foodchem.2023.136725. Epub 2023 Jun 25"