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Pregled bibliografske jedinice broj: 912573

Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives

Amić, Ana; Marković, Zoran; Klein, Erik; Dimitrić Marković, Jasmina M.; Milenković, Dejan
Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives // Food chemistry, 246 (2018), 481-489 doi:10.1016/j.foodchem.2017.11.100 (međunarodna recenzija, članak, znanstveni)

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Naslov
Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives

Autori
Amić, Ana ; Marković, Zoran ; Klein, Erik ; Dimitrić Marković, Jasmina M. ; Milenković, Dejan

Izvornik
Food chemistry (0308-8146) 246 (2018); 481-489

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
cinnamic acids isomers ; radical scavenging ; guaiacyl, catechol and carboxyl moiety ; dienone lactone ; double HAT ; double SPLET

Sažetak
The role of antiradical moieties (catechol, guaiacyl and carboxyl group) and molecular conformation in antioxidative potency of dihydrocaffeic acid (DHCA) and dihydroferulic acid (DHFA) was investigated by density functional theory (DFT) method. The thermodynamic preference of different reaction paths of double (2H+/2e-) free radical scavenging mechanisms was estimated. Antiradical potency of DHCA and DHFA was compared with that exerted by their unsaturated analogs - caffeic acid (CA) and ferulic acid (FA). Cis/trans and anti-isomers of studied cinnamic acid derivatives may scavenge free radicals via double processes by involvement of catechol or guaiacyl moiety. Carboxyl group of syn-isomers may also participate in the inactivation of free radicals. Gibbs free energies of reactions with various free radicals indicate that syn-DHCA and syn-DHFA, colon catabolites that could be present in systemic circulation in low micromolar concentrations, have a potential to contribute to health benefits by direct free radical scavenging.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA

Ustanove:
Sveučilište u Osijeku - Odjel za kemiju

Profili:

Avatar Url Ana Amić (autor)

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com

Citiraj ovu publikaciju:

Amić, Ana; Marković, Zoran; Klein, Erik; Dimitrić Marković, Jasmina M.; Milenković, Dejan
Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives // Food chemistry, 246 (2018), 481-489 doi:10.1016/j.foodchem.2017.11.100 (međunarodna recenzija, članak, znanstveni)
Amić, A., Marković, Z., Klein, E., Dimitrić Marković, J. & Milenković, D. (2018) Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives. Food chemistry, 246, 481-489 doi:10.1016/j.foodchem.2017.11.100.
@article{article, author = {Ami\'{c}, Ana and Markovi\'{c}, Zoran and Klein, Erik and Dimitri\'{c} Markovi\'{c}, Jasmina M. and Milenkovi\'{c}, Dejan}, year = {2018}, pages = {481-489}, DOI = {10.1016/j.foodchem.2017.11.100}, keywords = {cinnamic acids isomers, radical scavenging, guaiacyl, catechol and carboxyl moiety, dienone lactone, double HAT, double SPLET}, journal = {Food chemistry}, doi = {10.1016/j.foodchem.2017.11.100}, volume = {246}, issn = {0308-8146}, title = {Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives}, keyword = {cinnamic acids isomers, radical scavenging, guaiacyl, catechol and carboxyl moiety, dienone lactone, double HAT, double SPLET} }
@article{article, author = {Ami\'{c}, Ana and Markovi\'{c}, Zoran and Klein, Erik and Dimitri\'{c} Markovi\'{c}, Jasmina M. and Milenkovi\'{c}, Dejan}, year = {2018}, pages = {481-489}, DOI = {10.1016/j.foodchem.2017.11.100}, keywords = {cinnamic acids isomers, radical scavenging, guaiacyl, catechol and carboxyl moiety, dienone lactone, double HAT, double SPLET}, journal = {Food chemistry}, doi = {10.1016/j.foodchem.2017.11.100}, volume = {246}, issn = {0308-8146}, title = {Theoretical study of the thermodynamics of the mechanisms underlying antiradical activity of cinnamic acid derivatives}, keyword = {cinnamic acids isomers, radical scavenging, guaiacyl, catechol and carboxyl moiety, dienone lactone, double HAT, double SPLET} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE

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