{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Li C"],"funding":["Ministry of Science and Technology of the People&apos;s Republic of China","Ministry of Education of the People&apos;s Republic of China","Tianjin University of Science and Technology"],"pagination":["9870-9877"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9062203"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["9(17)"],"pubmed_abstract":["In order to investigate the molecular mechanisms of the heat-induced <i>cis</i>/<i>trans</i> isomerization and oxidative cleavage of trilinolein, a highly purified sample was heated at a range of temperatures (120, 140, 160, 180, 200, 220 °C) for 5 h. The reaction process of <i>cis</i>/<i>trans</i> isomerization of C18:2 was studied by a combination of the gas chromatogram (GC) method with density functional theory (DFT). When trilinolein was heated to 180 °C, a small amount of <i>trans</i>/<i>trans</i> C18:2 was obtained (0.074 mg g<sup>-1</sup>). As the temperature increased to 220 °C, the amount of <i>trans</i> C18:2 reached 0.198 mg g<sup>-1</sup>. This study shows that C18:2-9c12t and C18:2-9t12c were the main <i>trans</i> fatty acids in heated trilinolein. The molecular mechanisms of"],"journal":["RSC advances"],"pubmed_title":["Mechanisms of isomerization and oxidation in heated trilinolein by DFT method."],"pmcid":["PMC9062203"],"funding_grant_id":["gxb201805","2017LG01","2016YFD0401404","2018008"],"pubmed_authors":["Yao Y","Li C","Mu H","Wang S","Zhou H","Ma G","Liu W"],"additional_accession":[]},"is_claimable":false,"name":"Mechanisms of isomerization and oxidation in heated trilinolein by DFT method.","description":"In order to investigate the molecular mechanisms of the heat-induced <i>cis</i>/<i>trans</i> isomerization and oxidative cleavage of trilinolein, a highly purified sample was heated at a range of temperatures (120, 140, 160, 180, 200, 220 °C) for 5 h. The reaction process of <i>cis</i>/<i>trans</i> isomerization of C18:2 was studied by a combination of the gas chromatogram (GC) method with density functional theory (DFT). When trilinolein was heated to 180 °C, a small amount of <i>trans</i>/<i>trans</i> C18:2 was obtained (0.074 mg g<sup>-1</sup>). As the temperature increased to 220 °C, the amount of <i>trans</i> C18:2 reached 0.198 mg g<sup>-1</sup>. This study shows that C18:2-9c12t and C18:2-9t12c were the main <i>trans</i> fatty acids in heated trilinolein. The molecular mechanisms of","dates":{"release":"2019-01-01T00:00:00Z","publication":"2019 Mar","modification":"2025-04-19T13:19:07.802Z","creation":"2025-04-19T13:19:07.802Z"},"accession":"S-EPMC9062203","cross_references":{"pubmed":["35520702"],"doi":["10.1039/c9ra00328b"]}}