Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms
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2017
Authors
Dimitrić-Marković, JasminaPejin, Boris

Milenković, Dejan

Amic, Dragan
Begović, Nebojša
Mojović, Miloš

Marković, Zoran S.

Article (Published version)

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Naturally occurring flavonoids, delphinidin, pelargonidin and malvin, were investigated experimentally and theoretically for their ability to scavenge hydroxyl and nitric oxide radicals. Electron spin resonance (ESR) spectroscopy was used to determine antiradical activity of the selected compounds and M05-2X/6-311+G(d,p) level of theory for the calculation of reaction enthalpies related to three possible mechanisms of free radical scavenging activity, namely HAT, SET-PT and SPLET. The results obtained show that the molecules investigated reacted with hydroxyl radical via both HAT and SPLET in the solvents investigated. These results point to HAT as implausible for the reaction with nitric oxide radical in all the solvents investigated. SET-PT also proved to be thermodynamically unfavourable for all three molecules in the solvents considered.
Keywords:
Semi-empirical calculations / ESR spectra / DFT / Anthocyanidines and anthocyanins / (OH)-O-center dot and (NO)-N-center dot radicalsSource:
Food Chemistry, 2017, 218, 440-446Publisher:
- Elsevier Sci Ltd, Oxford
Funding / projects:
- Dynamics of nonlinear physicochemical and biochemical systems with modeling and predicting of their behavior under nonequilibrium conditions (RS-172015)
- Multiscale Methods and Their Applicatios in Nanomedicine (RS-174028)
- Biomarkers in neurodegenerative and malignant processes (RS-41005)
DOI: 10.1016/j.foodchem.2016.09.106
ISSN: 0308-8146
PubMed: 27719933
WoS: 000386409700058
Scopus: 2-s2.0-84988345104
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Institut za multidisciplinarna istraživanjaTY - JOUR AU - Dimitrić-Marković, Jasmina AU - Pejin, Boris AU - Milenković, Dejan AU - Amic, Dragan AU - Begović, Nebojša AU - Mojović, Miloš AU - Marković, Zoran S. PY - 2017 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/1103 AB - Naturally occurring flavonoids, delphinidin, pelargonidin and malvin, were investigated experimentally and theoretically for their ability to scavenge hydroxyl and nitric oxide radicals. Electron spin resonance (ESR) spectroscopy was used to determine antiradical activity of the selected compounds and M05-2X/6-311+G(d,p) level of theory for the calculation of reaction enthalpies related to three possible mechanisms of free radical scavenging activity, namely HAT, SET-PT and SPLET. The results obtained show that the molecules investigated reacted with hydroxyl radical via both HAT and SPLET in the solvents investigated. These results point to HAT as implausible for the reaction with nitric oxide radical in all the solvents investigated. SET-PT also proved to be thermodynamically unfavourable for all three molecules in the solvents considered. PB - Elsevier Sci Ltd, Oxford T2 - Food Chemistry T1 - Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms EP - 446 SP - 440 VL - 218 DO - 10.1016/j.foodchem.2016.09.106 ER -
@article{ author = "Dimitrić-Marković, Jasmina and Pejin, Boris and Milenković, Dejan and Amic, Dragan and Begović, Nebojša and Mojović, Miloš and Marković, Zoran S.", year = "2017", abstract = "Naturally occurring flavonoids, delphinidin, pelargonidin and malvin, were investigated experimentally and theoretically for their ability to scavenge hydroxyl and nitric oxide radicals. Electron spin resonance (ESR) spectroscopy was used to determine antiradical activity of the selected compounds and M05-2X/6-311+G(d,p) level of theory for the calculation of reaction enthalpies related to three possible mechanisms of free radical scavenging activity, namely HAT, SET-PT and SPLET. The results obtained show that the molecules investigated reacted with hydroxyl radical via both HAT and SPLET in the solvents investigated. These results point to HAT as implausible for the reaction with nitric oxide radical in all the solvents investigated. SET-PT also proved to be thermodynamically unfavourable for all three molecules in the solvents considered.", publisher = "Elsevier Sci Ltd, Oxford", journal = "Food Chemistry", title = "Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms", pages = "446-440", volume = "218", doi = "10.1016/j.foodchem.2016.09.106" }
Dimitrić-Marković, J., Pejin, B., Milenković, D., Amic, D., Begović, N., Mojović, M.,& Marković, Z. S.. (2017). Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms. in Food Chemistry Elsevier Sci Ltd, Oxford., 218, 440-446. https://doi.org/10.1016/j.foodchem.2016.09.106
Dimitrić-Marković J, Pejin B, Milenković D, Amic D, Begović N, Mojović M, Marković ZS. Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms. in Food Chemistry. 2017;218:440-446. doi:10.1016/j.foodchem.2016.09.106 .
Dimitrić-Marković, Jasmina, Pejin, Boris, Milenković, Dejan, Amic, Dragan, Begović, Nebojša, Mojović, Miloš, Marković, Zoran S., "Antiradical activity of delphinidin, pelargonidin and malvin towards hydroxyl and nitric oxide radicals: The energy requirements calculations as a prediction of the possible antiradical mechanisms" in Food Chemistry, 218 (2017):440-446, https://doi.org/10.1016/j.foodchem.2016.09.106 . .