Mechanism and kinetics in reactions of caffeic acid with radicals by pulse radiolysis and calculation
Li Xifeng; Cai Zhongli; Katsumura, Yosuke
Proceedings of international symposium on prospects for application of radiation towards the 21st century2000
Proceedings of international symposium on prospects for application of radiation towards the 21st century2000
AbstractAbstract
[en] Molecular orbital calculation and pulse radiolysis method are combined in the studies of interaction of caffeic acid with eaq-, (CH3)2(OH)CCH2., CO2.-, H., ·OH and N3. radicals. Reaction rate constants, UV-visible spectra of electron|·OH adducts, semiquinone radicals of caffeic ions, and the resulted stable products were derived from experimental data. While the radical attacked sites and the most favorable structures of the transient radicals were predicted by calculation. Reaction mechanisms were proposed. (author)
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Advanced Research Institute for Science and Engineering, Waseda Univ., Tokyo (Japan); 192 p; 2000; p. 76-77; International symposium on prospects for application of radiation towards the 21st century; Tokyo (Japan); 13-17 Mar 2000; Available from Waseda Univ., Advanced Research Institute for Science and Engineering, Tokyo, Japan; 2 refs., 2 figs.
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Miscellaneous
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Conference
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Descriptors (DEC)
ANALEPTICS, AROMATICS, AZAARENES, CALCULATION METHODS, CENTRAL NERVOUS SYSTEM AGENTS, CHEMICAL RADIATION EFFECTS, CHEMICAL REACTIONS, CHEMISTRY, DECOMPOSITION, DRUGS, HETEROCYCLIC COMPOUNDS, IRRADIATION, KINETICS, ORGANIC COMPOUNDS, ORGANIC NITROGEN COMPOUNDS, ORGANIC OXYGEN COMPOUNDS, PURINES, RADIATION EFFECTS, XANTHINES
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