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http://ir.ncue.edu.tw/ir/handle/987654321/10096
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| Title: | Chain-Breaking Activity of Carotenes in Lipid Peroxidation: A Theoretical Study |
| Authors: | Guo, Jian-Jhih;Hsieh, Hong-Yi;Hu, Ching-Han |
| Contributors: | 化學系 |
| Date: | 2009-11
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| Issue Date: | 2012-05-03T06:18:11Z
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| Publisher: | American Chemical Society |
| Abstract: | Chain-breaking reactions against lipid peroxidation performed by carotenes, including β-carotene (β-CAR) and lycopene (LYC), have been studied using density functional theory. We chose linoleic acid (LAH) as the lipid model and examined two mechanisms: hydrogen abstraction and addition. Our computed reaction diagrams reveal that the addition mechanism is able to offer a larger extent of chain-breaking protection than hydrogen abstraction. In the case of hydrogen abstraction, the resulting carotene radical CAR(−H)• has a smaller O2 affinity than the linoleic acid radical (LA•). Formation of the addition adduct radical ROO−CAR• is energetically favorable, and it has an even smaller tendency to react with O2 than CAR(−H)•. Comparatively, ROO−β-CAR• is less likely to react with O2 than ROO−LYC•. Both the hydrogen abstraction and addition radicals (CAR(−H)• and ROO−CAR•) react readily with a second ROO• radical via either hydrogen abstraction or addition. |
| Relation: | J. Phys. Chem. B, 113(47): 15699-15708 |
| Appears in Collections: | [化學系] 期刊論文
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