TY  - JOUR
AU  - Jaćimović, Simona
AU  - Kiprovski, Biljana
AU  - Ristivojević, Petar
AU  - Dimić, Dušan
AU  - Nakarada, Đura
AU  - Dojčinović, Biljana
AU  - Sikora, Vladimir
AU  - Teslić, Nemanja
AU  - Pantelić, Nebojša Đ
PY  - 2023
UR  - https://www.mdpi.com/2076-3921/12/8/1485
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6424
AB  - Sorghum grain (Sorghum bicolor L. Moench) is a gluten-free cereal with excellent nutritional value and is a good source of antioxidants, including polyphenols, as well as minerals with proven health benefits. Herein, the phenolic composition, elemental profile, and antioxidant activity of sixteen food-grade sorghum grains (S1–S16) grown under agroecological conditions in Serbia were determined. Nine phenolic compounds characteristic of sorghum grains, such as luteolinidin, 5-methoxyluteolinidin, luteolidin derivative, luteolidin glucoside, apigeninidin, 7-methoxyapigeninidin, apigeninidin glucoside, and cyanidin derivative, were quantified. The antioxidant potential of the analyzed sorghum grains was evaluated by UV/Vis (DPPH, ABTS, and FRAP) and Electron Paramagnetic Resonance spectroscopy (hydroxyl and ascorbyl radical scavenging assays). The content of macro- and microelements was determined by Inductively Coupled Plasma Optical Emission spectroscopy. Theoretical daily intakes of selected major and trace elements were assessed and compared with the Recommended Daily Allowance or Adequate Intake. Sample S8 had the highest amount of phenolic compounds, while S4, S6, and S8 exhibited the strongest antioxidative potential. The sorghum studied could completely satisfy the daily needs of macro- (K, Mg, and P) and microelements (Se, Zn, Fe). Pattern recognition techniques confirmed the discrimination of samples based on phenolic profile and elemental analysis and recognized the main markers responsible for differences between the investigated samples. The reaction between hydroxyl radicals and luteolinidin/apigeninidin was investigated by Density Functional Theory and thermodynamically preferred mechanism was determined.
T2  - Antioxidants
T2  - Antioxidants
T1  - Chemical Composition, Antioxidant Potential, and Nutritional Evaluation of Cultivated Sorghum Grains: A Combined Experimental, Theoretical, and Multivariate Analysis
IS  - 8
SP  - 1485
VL  - 12
DO  - 10.3390/antiox12081485
ER  - 

@article{
author = "Jaćimović, Simona and Kiprovski, Biljana and Ristivojević, Petar and Dimić, Dušan and Nakarada, Đura and Dojčinović, Biljana and Sikora, Vladimir and Teslić, Nemanja and Pantelić, Nebojša Đ",
year = "2023",
abstract = "Sorghum grain (Sorghum bicolor L. Moench) is a gluten-free cereal with excellent nutritional value and is a good source of antioxidants, including polyphenols, as well as minerals with proven health benefits. Herein, the phenolic composition, elemental profile, and antioxidant activity of sixteen food-grade sorghum grains (S1–S16) grown under agroecological conditions in Serbia were determined. Nine phenolic compounds characteristic of sorghum grains, such as luteolinidin, 5-methoxyluteolinidin, luteolidin derivative, luteolidin glucoside, apigeninidin, 7-methoxyapigeninidin, apigeninidin glucoside, and cyanidin derivative, were quantified. The antioxidant potential of the analyzed sorghum grains was evaluated by UV/Vis (DPPH, ABTS, and FRAP) and Electron Paramagnetic Resonance spectroscopy (hydroxyl and ascorbyl radical scavenging assays). The content of macro- and microelements was determined by Inductively Coupled Plasma Optical Emission spectroscopy. Theoretical daily intakes of selected major and trace elements were assessed and compared with the Recommended Daily Allowance or Adequate Intake. Sample S8 had the highest amount of phenolic compounds, while S4, S6, and S8 exhibited the strongest antioxidative potential. The sorghum studied could completely satisfy the daily needs of macro- (K, Mg, and P) and microelements (Se, Zn, Fe). Pattern recognition techniques confirmed the discrimination of samples based on phenolic profile and elemental analysis and recognized the main markers responsible for differences between the investigated samples. The reaction between hydroxyl radicals and luteolinidin/apigeninidin was investigated by Density Functional Theory and thermodynamically preferred mechanism was determined.",
journal = "Antioxidants, Antioxidants",
title = "Chemical Composition, Antioxidant Potential, and Nutritional Evaluation of Cultivated Sorghum Grains: A Combined Experimental, Theoretical, and Multivariate Analysis",
number = "8",
pages = "1485",
volume = "12",
doi = "10.3390/antiox12081485"
}

Jaćimović, S., Kiprovski, B., Ristivojević, P., Dimić, D., Nakarada, Đ., Dojčinović, B., Sikora, V., Teslić, N.,& Pantelić, N. Đ.. (2023). Chemical Composition, Antioxidant Potential, and Nutritional Evaluation of Cultivated Sorghum Grains: A Combined Experimental, Theoretical, and Multivariate Analysis. in Antioxidants, 12(8), 1485.
https://doi.org/10.3390/antiox12081485

Jaćimović S, Kiprovski B, Ristivojević P, Dimić D, Nakarada Đ, Dojčinović B, Sikora V, Teslić N, Pantelić NĐ. Chemical Composition, Antioxidant Potential, and Nutritional Evaluation of Cultivated Sorghum Grains: A Combined Experimental, Theoretical, and Multivariate Analysis. in Antioxidants. 2023;12(8):1485.
doi:10.3390/antiox12081485 .

Jaćimović, Simona, Kiprovski, Biljana, Ristivojević, Petar, Dimić, Dušan, Nakarada, Đura, Dojčinović, Biljana, Sikora, Vladimir, Teslić, Nemanja, Pantelić, Nebojša Đ, "Chemical Composition, Antioxidant Potential, and Nutritional Evaluation of Cultivated Sorghum Grains: A Combined Experimental, Theoretical, and Multivariate Analysis" in Antioxidants, 12, no. 8 (2023):1485,
https://doi.org/10.3390/antiox12081485 . .

TY  - JOUR
AU  - Jevtovic, Violeta
AU  - Alshammari, Njood
AU  - Latif, Salman
AU  - Alsukaibi, Abdulmohsen Khalaf Dhahi
AU  - Humaidi, Jamal
AU  - Alanazi, Tahani Y. A.
AU  - Abdulaziz, Fahad
AU  - Matalka, Samah I.
AU  - Pantelić, Nebojša Đ
AU  - Marković, Milica
AU  - Rakić, Aleksandra
AU  - Dimić, Dušan
PY  - 2022
UR  - http://www.ncbi.nlm.nih.gov/pubmed/36234859
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6200
AB  - New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)2]·H2O and the dimer octahedral structure of [Cu(PLSC)(SO4)(H2O)]2·2H2O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders.
T2  - Molecules (Basel, Switzerland)
T2  - Molecules (Basel, Switzerland)Molecules
T1  - Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone
IS  - 19
SP  - 6322
VL  - 27
DO  - 10.3390/molecules27196322
ER  - 

@article{
author = "Jevtovic, Violeta and Alshammari, Njood and Latif, Salman and Alsukaibi, Abdulmohsen Khalaf Dhahi and Humaidi, Jamal and Alanazi, Tahani Y. A. and Abdulaziz, Fahad and Matalka, Samah I. and Pantelić, Nebojša Đ and Marković, Milica and Rakić, Aleksandra and Dimić, Dušan",
year = "2022",
abstract = "New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)2]·H2O and the dimer octahedral structure of [Cu(PLSC)(SO4)(H2O)]2·2H2O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders.",
journal = "Molecules (Basel, Switzerland), Molecules (Basel, Switzerland)Molecules",
title = "Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone",
number = "19",
pages = "6322",
volume = "27",
doi = "10.3390/molecules27196322"
}

Jevtovic, V., Alshammari, N., Latif, S., Alsukaibi, A. K. D., Humaidi, J., Alanazi, T. Y. A., Abdulaziz, F., Matalka, S. I., Pantelić, N. Đ., Marković, M., Rakić, A.,& Dimić, D.. (2022). Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone. in Molecules (Basel, Switzerland), 27(19), 6322.
https://doi.org/10.3390/molecules27196322

Jevtovic V, Alshammari N, Latif S, Alsukaibi AKD, Humaidi J, Alanazi TYA, Abdulaziz F, Matalka SI, Pantelić NĐ, Marković M, Rakić A, Dimić D. Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone. in Molecules (Basel, Switzerland). 2022;27(19):6322.
doi:10.3390/molecules27196322 .

Jevtovic, Violeta, Alshammari, Njood, Latif, Salman, Alsukaibi, Abdulmohsen Khalaf Dhahi, Humaidi, Jamal, Alanazi, Tahani Y. A., Abdulaziz, Fahad, Matalka, Samah I., Pantelić, Nebojša Đ, Marković, Milica, Rakić, Aleksandra, Dimić, Dušan, "Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone" in Molecules (Basel, Switzerland), 27, no. 19 (2022):6322,
https://doi.org/10.3390/molecules27196322 . .

TY  - 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 . .