Molecular formation mechanism of trans linolenic acid in thermally induced α-linolenic acid
作者： Qin Guo , Tian Li , Yang Qu , Xinping Wang , Li Liu
DOI: 10.1016/J.LWT.2020.109595
关键词:
摘要: Abstract The isomerization mechanism of thermally induced α-linolenic acid (C18:3-9c,12c,15c) was investigated using a combination experimental and computational studies. C18:3-9c,12c,15c in linseed oil trilinolenin heated at 180, 240, 260 °C for 4 8 h then analyzed by GC-MS. Mono-trans isomers easily formed from C18:3-9c,12c,15c, became double- triple-trans trilinolenin. Six pathways via proton transfer were proposed clarified. hydrogen the C9, C12, C16 double bonds more favorably transferred to C10, C13, C15, respectively, where C9–H9 occurred quickly than C12–H12 C16–H16 during isomerization. formation mono-trans slower isomers, activation energies transition rotate-transition states key factors influencing trans C18:3 isomers. Density functional theory calculations demonstrated data obtained consistent with mechanism.
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