On the origin of the antioxidant potential of selected wines: combined HPLC, QSAR, and DFT study
Само за регистроване кориснике
2021
Аутори
Šaćirović, SabinaĐorović Jovanović, Jelena
Dimić, Dušan
Petrović, Zorica
Simijonović, Dušica
Manojlović, Nedeljko
Antić, Mališa
Marković, Zoran
Чланак у часопису (Објављена верзија)

Метаподаци
Приказ свих података о документуАпстракт
The phenolic compounds, which are rich in red wine, have gained considerable attention due to their antioxidant potential. Selected Serbian wines were analyzed for their antioxidant activity by DPPH test and the total content of phenolic compounds was determined by employing the Folin–Ciocalteu colorimetric method. The major polyphenols were determined by HPLC. The antioxidant activity was correlated with the amount of specific polyphenols (gallic acid, caffeic acid, catechin, epicatechin, myricetin, and kaempferol) by quantitative structure–activity relationship. The origin of the antioxidant potential of wines was discussed based on the individual activity of identified polyphenols and theoretical calculations (at APFD/6-311++G(d,p) level of theory). The thermodynamic parameters of free radical scavenging activity and reactivity towards DPPH·, HO·, and HOO· were explained with special emphasis on the effect of structure and intramolecular interactions in polyphenols. Based on the pre...sented data, the positive effects of selected Serbian wines on humane health and biologically relevant free radicals are concluded.
Кључне речи:
Antioxidants / Density functional theory / QSAR / Radicals / UV/Vis spectroscopyИзвор:
Monatshefte fur Chemie, 2021, 152, 10, 1173-1181Издавач:
- Springer
Финансирање / пројекти:
- Министарство просвете, науке и технолошког развоја Републике Србије, Уговор бр. 200146 (Универзитет у Београду, Факултет за физичку хемију) (RS-200146)
- Министарство просвете, науке и технолошког развоја Републике Србије, Уговор бр. 200378 (Институт за информационе технологије, Крагујевац) (RS-200378)
DOI: 10.1007/s00706-021-02828-1
ISSN: 0026-9247
WoS: 000687950300005
Scopus: 2-s2.0-85113282111
Институција/група
Poljoprivredni fakultetTY - JOUR AU - Šaćirović, Sabina AU - Đorović Jovanović, Jelena AU - Dimić, Dušan AU - Petrović, Zorica AU - Simijonović, Dušica AU - Manojlović, Nedeljko AU - Antić, Mališa AU - Marković, Zoran PY - 2021 UR - http://aspace.agrif.bg.ac.rs/handle/123456789/5922 AB - The phenolic compounds, which are rich in red wine, have gained considerable attention due to their antioxidant potential. Selected Serbian wines were analyzed for their antioxidant activity by DPPH test and the total content of phenolic compounds was determined by employing the Folin–Ciocalteu colorimetric method. The major polyphenols were determined by HPLC. The antioxidant activity was correlated with the amount of specific polyphenols (gallic acid, caffeic acid, catechin, epicatechin, myricetin, and kaempferol) by quantitative structure–activity relationship. The origin of the antioxidant potential of wines was discussed based on the individual activity of identified polyphenols and theoretical calculations (at APFD/6-311++G(d,p) level of theory). The thermodynamic parameters of free radical scavenging activity and reactivity towards DPPH·, HO·, and HOO· were explained with special emphasis on the effect of structure and intramolecular interactions in polyphenols. Based on the presented data, the positive effects of selected Serbian wines on humane health and biologically relevant free radicals are concluded. PB - Springer T2 - Monatshefte fur Chemie T1 - On the origin of the antioxidant potential of selected wines: combined HPLC, QSAR, and DFT study EP - 1181 IS - 10 SP - 1173 VL - 152 DO - 10.1007/s00706-021-02828-1 ER -
@article{ author = "Šaćirović, Sabina and Đorović Jovanović, Jelena and Dimić, Dušan and Petrović, Zorica and Simijonović, Dušica and Manojlović, Nedeljko and Antić, Mališa and Marković, Zoran", year = "2021", abstract = "The phenolic compounds, which are rich in red wine, have gained considerable attention due to their antioxidant potential. Selected Serbian wines were analyzed for their antioxidant activity by DPPH test and the total content of phenolic compounds was determined by employing the Folin–Ciocalteu colorimetric method. The major polyphenols were determined by HPLC. The antioxidant activity was correlated with the amount of specific polyphenols (gallic acid, caffeic acid, catechin, epicatechin, myricetin, and kaempferol) by quantitative structure–activity relationship. The origin of the antioxidant potential of wines was discussed based on the individual activity of identified polyphenols and theoretical calculations (at APFD/6-311++G(d,p) level of theory). The thermodynamic parameters of free radical scavenging activity and reactivity towards DPPH·, HO·, and HOO· were explained with special emphasis on the effect of structure and intramolecular interactions in polyphenols. Based on the presented data, the positive effects of selected Serbian wines on humane health and biologically relevant free radicals are concluded.", publisher = "Springer", journal = "Monatshefte fur Chemie", title = "On the origin of the antioxidant potential of selected wines: combined HPLC, QSAR, and DFT study", pages = "1181-1173", number = "10", volume = "152", doi = "10.1007/s00706-021-02828-1" }
Šaćirović, S., Đorović Jovanović, J., Dimić, D., Petrović, Z., Simijonović, D., Manojlović, N., Antić, M.,& Marković, Z.. (2021). On the origin of the antioxidant potential of selected wines: combined HPLC, QSAR, and DFT study. in Monatshefte fur Chemie Springer., 152(10), 1173-1181. https://doi.org/10.1007/s00706-021-02828-1
Šaćirović S, Đorović Jovanović J, Dimić D, Petrović Z, Simijonović D, Manojlović N, Antić M, Marković Z. On the origin of the antioxidant potential of selected wines: combined HPLC, QSAR, and DFT study. in Monatshefte fur Chemie. 2021;152(10):1173-1181. doi:10.1007/s00706-021-02828-1 .
Šaćirović, Sabina, Đorović Jovanović, Jelena, Dimić, Dušan, Petrović, Zorica, Simijonović, Dušica, Manojlović, Nedeljko, Antić, Mališa, Marković, Zoran, "On the origin of the antioxidant potential of selected wines: combined HPLC, QSAR, and DFT study" in Monatshefte fur Chemie, 152, no. 10 (2021):1173-1181, https://doi.org/10.1007/s00706-021-02828-1 . .