caa a22 4500 605513732 CHVBK 20210128100701.0 cr unu---uuuuu 210128e20151101xx s 000 0 eng 10.1007/s00894-015-2840-9 doi (NATIONALLICENCE)springer-10.1007/s00894-015-2840-9 Investigation of the antioxidant and radical scavenging activities of some phenolic Schiff bases with different free radicals [Elektronische Daten] [Zoran Marković, Jelena Đorović, Zorica Petrović, Vladimir Petrović, Dušica Simijonović] The antioxidant properties of some phenolic Schiff bases in the presence of different reactive particles such as •OH, •OOH, (CH2=CH−O−O•), and -•O2 were investigated. The thermodynamic values, ΔH BDE, ΔH IP, and ΔH PA, were used for this purpose. Three possible mechanisms for transfer of hydrogen atom, concerted proton−electron transfer (CPET), single electron transfer followed by proton transfer (SET-PT), and sequential proton loss electron transfer (SPLET) were considered. These mechanisms were tested in solvents of different polarity. On the basis of the obtained results it was shown that SET-PT antioxidant mechanism can be the dominant mechanism when Schiff bases react with radical cation, while SPLET and CPET are competitive mechanisms for radical scavenging of hydroxy radical in all solvents under investigation. Examined Schiff bases react with the peroxy radicals via SPLET mechanism in polar and nonpolar solvents. The superoxide radical anion reacts with these Schiff bases very slowly. Springer-Verlag Berlin Heidelberg, 2015 Antioxidant mechanisms nationallicence Antioxidant properties nationallicence Density functional theory nationallicence Phenolic Schiff bases nationallicence Marković Zoran Department of Chemical-Technological Sciences, State University of Novi Pazar, Vuka Karadžića bb, 36300, Novi Pazar, Republic of Serbia aut Đorović Jelena Bioengineering Research and Development Center, Prvoslava Stojanovića 6, 34000, Kragujevac, Republic of Serbia aut Petrović Zorica Faculty of Science, University of Kragujevac, Radoja Domanovića 12, 34000, Kragujevac, Republic of Serbia aut Petrović Vladimir Faculty of Science, University of Kragujevac, Radoja Domanovića 12, 34000, Kragujevac, Republic of Serbia aut Simijonović Dušica Faculty of Science, University of Kragujevac, Radoja Domanovića 12, 34000, Kragujevac, Republic of Serbia aut Journal of Molecular Modeling Springer Berlin Heidelberg 21/11(2015-11-01), 1-10 1610-2940 21:11<1 2015 21 894 https://doi.org/10.1007/s00894-015-2840-9 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00894-015-2840-9 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Marković Zoran Department of Chemical-Technological Sciences, State University of Novi Pazar, Vuka Karadžića bb, 36300, Novi Pazar, Republic of Serbia aut NATIONALLICENCE 700 1- Đorović Jelena Bioengineering Research and Development Center, Prvoslava Stojanovića 6, 34000, Kragujevac, Republic of Serbia aut NATIONALLICENCE 700 1- Petrović Zorica Faculty of Science, University of Kragujevac, Radoja Domanovića 12, 34000, Kragujevac, Republic of Serbia aut NATIONALLICENCE 700 1- Petrović Vladimir Faculty of Science, University of Kragujevac, Radoja Domanovića 12, 34000, Kragujevac, Republic of Serbia aut NATIONALLICENCE 700 1- Simijonović Dušica Faculty of Science, University of Kragujevac, Radoja Domanovića 12, 34000, Kragujevac, Republic of Serbia aut NATIONALLICENCE 773 0- Journal of Molecular Modeling Springer Berlin Heidelberg 21/11(2015-11-01), 1-10 1610-2940 21:11<1 2015 21 894