TY  - JOUR
AU  - Skaro Bogojevic, S
AU  - Perminova, D
AU  - Jaksic, J
AU  - Milcic, M
AU  - Medakovic, V
AU  - Milovanovic, J
AU  - Nikodinovic-Runic, J
AU  - Maslak, V
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6476
AB  - Poly(ethylene terephthalate) (PET) is widely used material in the healthcare due to its mechanical properties including resistance to chemicals and abrasion. However, it is susceptible to bacterial attachment and contamination. This study addresses some newly designed model compounds of PET with antimicrobial properties that could potentially be incorporated into PET materials. All compounds were synthesized for the first time by labeling an integral part of PET with chromophores in the form of esters of cinnamic and ferulic acids. After complete structural characterization, the effect of new compounds on microbial growth and communication (quorum sensing, QS) was analyzed and further investigated using molecular docking. The obtained results indicate that the introduction of chromophores that have one part of cinnamic acid enriched with a methoxy functional group in them acts as QS modulators. Moreover, compounds exhibited dose-dependent selectivity toward QS signaling pathways and the highest tested concentration of compounds showed Pseudomonas Quinolone Signal (PQS) inhibitory activity suggesting that these compounds have a potential effect on pyocyanin production. Docking studies demonstrated that compounds hold binding power to all four QS protein targets (LuxP, periplasmatic protein that binds AI-2 inducer and forms a complex able to transduce the autoinducer signal, RhIR protein that is a key QS transcriptional regulator that activates the genes involved in the synthesis of rhamnolipids and pyocyanin, AbaI protein that has a role in QS signal transduction, and LasR protein which is a key QS transcriptional regulator that activates transcription of genes coding for some virulence-associated traits) while the highest binding strength is observed with compounds 2 and 6 containing single cinnamic acid fragment, suggesting their further biomedical application.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Novel cinnamic acid-based PET derivatives as quorum sensing modulators
VL  - 1300
SP  - 137291
DO  - 10.1016/j.molstruc.2023.137291
ER  - 

@article{
author = "Skaro Bogojevic, S and Perminova, D and Jaksic, J and Milcic, M and Medakovic, V and Milovanovic, J and Nikodinovic-Runic, J and Maslak, V",
year = "2024",
abstract = "Poly(ethylene terephthalate) (PET) is widely used material in the healthcare due to its mechanical properties including resistance to chemicals and abrasion. However, it is susceptible to bacterial attachment and contamination. This study addresses some newly designed model compounds of PET with antimicrobial properties that could potentially be incorporated into PET materials. All compounds were synthesized for the first time by labeling an integral part of PET with chromophores in the form of esters of cinnamic and ferulic acids. After complete structural characterization, the effect of new compounds on microbial growth and communication (quorum sensing, QS) was analyzed and further investigated using molecular docking. The obtained results indicate that the introduction of chromophores that have one part of cinnamic acid enriched with a methoxy functional group in them acts as QS modulators. Moreover, compounds exhibited dose-dependent selectivity toward QS signaling pathways and the highest tested concentration of compounds showed Pseudomonas Quinolone Signal (PQS) inhibitory activity suggesting that these compounds have a potential effect on pyocyanin production. Docking studies demonstrated that compounds hold binding power to all four QS protein targets (LuxP, periplasmatic protein that binds AI-2 inducer and forms a complex able to transduce the autoinducer signal, RhIR protein that is a key QS transcriptional regulator that activates the genes involved in the synthesis of rhamnolipids and pyocyanin, AbaI protein that has a role in QS signal transduction, and LasR protein which is a key QS transcriptional regulator that activates transcription of genes coding for some virulence-associated traits) while the highest binding strength is observed with compounds 2 and 6 containing single cinnamic acid fragment, suggesting their further biomedical application.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Novel cinnamic acid-based PET derivatives as quorum sensing modulators",
volume = "1300",
pages = "137291",
doi = "10.1016/j.molstruc.2023.137291"
}

Skaro Bogojevic, S., Perminova, D., Jaksic, J., Milcic, M., Medakovic, V., Milovanovic, J., Nikodinovic-Runic, J.,& Maslak, V.. (2024). Novel cinnamic acid-based PET derivatives as quorum sensing modulators. in Journal of Molecular Structure
Elsevier., 1300, 137291.
https://doi.org/10.1016/j.molstruc.2023.137291

Skaro Bogojevic S, Perminova D, Jaksic J, Milcic M, Medakovic V, Milovanovic J, Nikodinovic-Runic J, Maslak V. Novel cinnamic acid-based PET derivatives as quorum sensing modulators. in Journal of Molecular Structure. 2024;1300:137291.
doi:10.1016/j.molstruc.2023.137291 .

Skaro Bogojevic, S, Perminova, D, Jaksic, J, Milcic, M, Medakovic, V, Milovanovic, J, Nikodinovic-Runic, J, Maslak, V, "Novel cinnamic acid-based PET derivatives as quorum sensing modulators" in Journal of Molecular Structure, 1300 (2024):137291,
https://doi.org/10.1016/j.molstruc.2023.137291 . .

TY  - JOUR
AU  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš K.
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina K.
AU  - Čobeljić, Božidar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6381
AB  - In this paper, we report the  synthesis, characterization, and X-ray structure analysis of one octahedral Ni(II) complex,  [Ni(HL1 )2](BF4)2*H2O, formed by coordination of two ligands with NNS donor atom sets (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide), and Ni(III) complex,  [Ni(L2 )(N3)3], formed by coordination of one hydrazone ligand coordinated through NNO donor  set and three azide anions (HL2Cl ligand, (E)−1-(2-oxo-2-(2-(1-(pyridin-2- yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride), complemented by DFT calculations. To the best of our knowledge this is the first Ni(III) complex obtained under ambient  conditions.
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey
VL  - 158
SP  - 111582
DO  - 10.1016/j.inoche.2023.111582
ER  - 

@article{
author = "Jevtović, Mima and Pevec, Andrej and Turel, Iztok and Radanović, Dušanka and Milčić, Miloš K. and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina K. and Čobeljić, Božidar",
year = "2023",
abstract = "In this paper, we report the  synthesis, characterization, and X-ray structure analysis of one octahedral Ni(II) complex,  [Ni(HL1 )2](BF4)2*H2O, formed by coordination of two ligands with NNS donor atom sets (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide), and Ni(III) complex,  [Ni(L2 )(N3)3], formed by coordination of one hydrazone ligand coordinated through NNO donor  set and three azide anions (HL2Cl ligand, (E)−1-(2-oxo-2-(2-(1-(pyridin-2- yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride), complemented by DFT calculations. To the best of our knowledge this is the first Ni(III) complex obtained under ambient  conditions.",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey",
volume = "158",
pages = "111582",
doi = "10.1016/j.inoche.2023.111582"
}

Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M. K., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K. K.,& Čobeljić, B.. (2023). Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey. in Inorganic Chemistry Communications
Elsevier., 158, 111582.
https://doi.org/10.1016/j.inoche.2023.111582

Jevtović M, Pevec A, Turel I, Radanović D, Milčić MK, Gruden M, Zlatar M, Mitić D, Anđelković KK, Čobeljić B. Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey. in Inorganic Chemistry Communications. 2023;158:111582.
doi:10.1016/j.inoche.2023.111582 .

Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš K., Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina K., Čobeljić, Božidar, "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey" in Inorganic Chemistry Communications, 158 (2023):111582,
https://doi.org/10.1016/j.inoche.2023.111582 . .

TY  - JOUR
AU  - Zelenović, Nevena D.
AU  - Kojadinović, Milica I.
AU  - Filipović, Lidija
AU  - Vučić, Vesna M.
AU  - Milčić, Miloš K.
AU  - Arsic, Aleksndra
AU  - Popović, Milica M.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6257
AB  - Backgound/ObjectivesUrolithins (UROs) are the metabolites derived from the gut microbial action on ellagitannins and ellagic acid-rich foods. Following their absorption in the intestine, UROs are transported through the systemic circulation to various tissues where they can express their biological function as antimicrobial, anti-inflammatory, and anticancer agents. In addition to blood plasma, where they can be found as glucuronide and sulfate conjugates, they are also found in urine. Therefore, the interactions of UROs with serum proteins are of great clinical interest.MethodsA powerful technique for examining these urolithin-serum protein interactions is fluorescence spectroscopy. Bovine serum albumin (BSA) is a particularly suitable model protein because it is readily available, affordable, and similar to human serum albumin. This work aimed to study the binding of UROs (urolithin A, UROA and urolithin B, UROB) and their glucuronide conjugates (UROAG and UROBG) to BSA by quenching the intrinsic fluorescence of protein.ResultsThe spectra obtained showed that the binding process is influenced by the polyphenol's structure and the conjugation process with the glucuronide. The calculated Stern Vollmer binding constants (Ksv): UROA and UROB Ksv were 59236   ±   5706 and 69653   ±   14922, respectively, while for UROAG and UROBG, these values were 15179   ±   2770 and 9462   ±   1955, respectively, which showed that the binding affinity decreased with glucuronidation. Molecular docking studies confirmed that all of the studied molecules will bind favorably to BSA. The preferential binding site for both UROs and UROGs is Sudlow I, while UROs will also bind to Sudlow II. URO-Gs can bind to BSA in the cleft region with lower binding scores than for the Sudlow I binding site.ConclusionThe aglycone's higher hydrophobicity increases the binding affinity to BSA, thus reducing its bioavailability in the blood.
PB  - SAGE Publications
T2  - Natural Product Communications
T1  - Interactions of Different Urolithins With Bovine Serum Albumin
VL  - 18
IS  - 5
DO  - 10.1177/1934578X231169366
ER  - 

@article{
author = "Zelenović, Nevena D. and Kojadinović, Milica I. and Filipović, Lidija and Vučić, Vesna M. and Milčić, Miloš K. and Arsic, Aleksndra and Popović, Milica M.",
year = "2023",
abstract = "Backgound/ObjectivesUrolithins (UROs) are the metabolites derived from the gut microbial action on ellagitannins and ellagic acid-rich foods. Following their absorption in the intestine, UROs are transported through the systemic circulation to various tissues where they can express their biological function as antimicrobial, anti-inflammatory, and anticancer agents. In addition to blood plasma, where they can be found as glucuronide and sulfate conjugates, they are also found in urine. Therefore, the interactions of UROs with serum proteins are of great clinical interest.MethodsA powerful technique for examining these urolithin-serum protein interactions is fluorescence spectroscopy. Bovine serum albumin (BSA) is a particularly suitable model protein because it is readily available, affordable, and similar to human serum albumin. This work aimed to study the binding of UROs (urolithin A, UROA and urolithin B, UROB) and their glucuronide conjugates (UROAG and UROBG) to BSA by quenching the intrinsic fluorescence of protein.ResultsThe spectra obtained showed that the binding process is influenced by the polyphenol's structure and the conjugation process with the glucuronide. The calculated Stern Vollmer binding constants (Ksv): UROA and UROB Ksv were 59236   ±   5706 and 69653   ±   14922, respectively, while for UROAG and UROBG, these values were 15179   ±   2770 and 9462   ±   1955, respectively, which showed that the binding affinity decreased with glucuronidation. Molecular docking studies confirmed that all of the studied molecules will bind favorably to BSA. The preferential binding site for both UROs and UROGs is Sudlow I, while UROs will also bind to Sudlow II. URO-Gs can bind to BSA in the cleft region with lower binding scores than for the Sudlow I binding site.ConclusionThe aglycone's higher hydrophobicity increases the binding affinity to BSA, thus reducing its bioavailability in the blood.",
publisher = "SAGE Publications",
journal = "Natural Product Communications",
title = "Interactions of Different Urolithins With Bovine Serum Albumin",
volume = "18",
number = "5",
doi = "10.1177/1934578X231169366"
}

Zelenović, N. D., Kojadinović, M. I., Filipović, L., Vučić, V. M., Milčić, M. K., Arsic, A.,& Popović, M. M.. (2023). Interactions of Different Urolithins With Bovine Serum Albumin. in Natural Product Communications
SAGE Publications., 18(5).
https://doi.org/10.1177/1934578X231169366

Zelenović ND, Kojadinović MI, Filipović L, Vučić VM, Milčić MK, Arsic A, Popović MM. Interactions of Different Urolithins With Bovine Serum Albumin. in Natural Product Communications. 2023;18(5).
doi:10.1177/1934578X231169366 .

Zelenović, Nevena D., Kojadinović, Milica I., Filipović, Lidija, Vučić, Vesna M., Milčić, Miloš K., Arsic, Aleksndra, Popović, Milica M., "Interactions of Different Urolithins With Bovine Serum Albumin" in Natural Product Communications, 18, no. 5 (2023),
https://doi.org/10.1177/1934578X231169366 . .

TY  - JOUR
AU  - Vitomirov, Teodora
AU  - Dimiza, Filitsa
AU  - Matić, Ivana Z.
AU  - Stanojković, Tatjana
AU  - Pirković, Andrea
AU  - Živković, Lada
AU  - Spremo-Potparević, Biljana
AU  - Novaković, Irena T.
AU  - Anđelković, Katarina K.
AU  - Milčić, Miloš K.
AU  - Psomas, George
AU  - Ristović, Maja Šumar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5515
AB  - In this article, cytotoxicity, the mechanisms of cytotoxic activity, genotoxicity, and interaction with DNA and proteins, of two Cu(II) complexes with a salicylaldehyde derivative (4-(diethylamino)salicylaldehyde) and α-diimine (2,2′-bipyridine (bipy) and 1,10-phenanthroline (phen)) are reported. Both Cu(II) complexes performed cytotoxic effects against all tested malignant cell lines. Complexes exerted highest cytotoxicity against HeLa and A375 malignant cell lines. The cytotoxic activity of Cu(II) complex with phen as a α-diimine co-ligand was significantly higher in comparison with cytotoxic activity of Cu(II) complex with bipy. Pretreatment with specific inhibitors of caspase-3, caspase-8 or caspase-9, in order to clear up the mode of cell death triggered by two Cu(II) complexes in HeLa cells, indicated the ability of these complexes to induce apoptosis through activation of target caspases. Cu(II)-phen complex exhibited significant antioxidant activity compared with Cu(II)-bipy complex, and showed a better effect on reducing intracellular ROS levels in HeLa cells. Tested complexes did not display genotoxic potential in human peripheral blood leucocytes, but exhibited an antigenotoxic effect in post-treatment, after H2O2 exposure. The study of the in vitro biological properties regarding their affinity towards CT (calf-thymus) DNA and serum albumins showed that the compounds can intercalate to CT DNA, and bind reversibly and tightly to the albumins. Molecular docking studies of the ability of compounds to bind to biomacromolecules are consistent with in vitro studies.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Copper(II) complexes with 4-(diethylamino)salicylaldehyde and α-diimines: Anticancer, antioxidant, antigenotoxic effects and interaction with DNA and albumins
VL  - 235
SP  - 111942
DO  - 10.1016/j.jinorgbio.2022.111942
ER  - 

@article{
author = "Vitomirov, Teodora and Dimiza, Filitsa and Matić, Ivana Z. and Stanojković, Tatjana and Pirković, Andrea and Živković, Lada and Spremo-Potparević, Biljana and Novaković, Irena T. and Anđelković, Katarina K. and Milčić, Miloš K. and Psomas, George and Ristović, Maja Šumar",
year = "2022",
abstract = "In this article, cytotoxicity, the mechanisms of cytotoxic activity, genotoxicity, and interaction with DNA and proteins, of two Cu(II) complexes with a salicylaldehyde derivative (4-(diethylamino)salicylaldehyde) and α-diimine (2,2′-bipyridine (bipy) and 1,10-phenanthroline (phen)) are reported. Both Cu(II) complexes performed cytotoxic effects against all tested malignant cell lines. Complexes exerted highest cytotoxicity against HeLa and A375 malignant cell lines. The cytotoxic activity of Cu(II) complex with phen as a α-diimine co-ligand was significantly higher in comparison with cytotoxic activity of Cu(II) complex with bipy. Pretreatment with specific inhibitors of caspase-3, caspase-8 or caspase-9, in order to clear up the mode of cell death triggered by two Cu(II) complexes in HeLa cells, indicated the ability of these complexes to induce apoptosis through activation of target caspases. Cu(II)-phen complex exhibited significant antioxidant activity compared with Cu(II)-bipy complex, and showed a better effect on reducing intracellular ROS levels in HeLa cells. Tested complexes did not display genotoxic potential in human peripheral blood leucocytes, but exhibited an antigenotoxic effect in post-treatment, after H2O2 exposure. The study of the in vitro biological properties regarding their affinity towards CT (calf-thymus) DNA and serum albumins showed that the compounds can intercalate to CT DNA, and bind reversibly and tightly to the albumins. Molecular docking studies of the ability of compounds to bind to biomacromolecules are consistent with in vitro studies.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Copper(II) complexes with 4-(diethylamino)salicylaldehyde and α-diimines: Anticancer, antioxidant, antigenotoxic effects and interaction with DNA and albumins",
volume = "235",
pages = "111942",
doi = "10.1016/j.jinorgbio.2022.111942"
}

Vitomirov, T., Dimiza, F., Matić, I. Z., Stanojković, T., Pirković, A., Živković, L., Spremo-Potparević, B., Novaković, I. T., Anđelković, K. K., Milčić, M. K., Psomas, G.,& Ristović, M. Š.. (2022). Copper(II) complexes with 4-(diethylamino)salicylaldehyde and α-diimines: Anticancer, antioxidant, antigenotoxic effects and interaction with DNA and albumins. in Journal of Inorganic Biochemistry
Elsevier., 235, 111942.
https://doi.org/10.1016/j.jinorgbio.2022.111942

Vitomirov T, Dimiza F, Matić IZ, Stanojković T, Pirković A, Živković L, Spremo-Potparević B, Novaković IT, Anđelković KK, Milčić MK, Psomas G, Ristović MŠ. Copper(II) complexes with 4-(diethylamino)salicylaldehyde and α-diimines: Anticancer, antioxidant, antigenotoxic effects and interaction with DNA and albumins. in Journal of Inorganic Biochemistry. 2022;235:111942.
doi:10.1016/j.jinorgbio.2022.111942 .

Vitomirov, Teodora, Dimiza, Filitsa, Matić, Ivana Z., Stanojković, Tatjana, Pirković, Andrea, Živković, Lada, Spremo-Potparević, Biljana, Novaković, Irena T., Anđelković, Katarina K., Milčić, Miloš K., Psomas, George, Ristović, Maja Šumar, "Copper(II) complexes with 4-(diethylamino)salicylaldehyde and α-diimines: Anticancer, antioxidant, antigenotoxic effects and interaction with DNA and albumins" in Journal of Inorganic Biochemistry, 235 (2022):111942,
https://doi.org/10.1016/j.jinorgbio.2022.111942 . .

TY  - DATA
AU  - Vitomirov, Teodora
AU  - Dimiza, Filitsa
AU  - Matić, Ivana Z.
AU  - Stanojković, Tatjana
AU  - Pirković, Andrea
AU  - Živković, Lada
AU  - Spremo-Potparević, Biljana
AU  - Novaković, Irena T.
AU  - Anđelković, Katarina K.
AU  - Milčić, Miloš K.
AU  - Psomas, George
AU  - Ristović, Maja Šumar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5519
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Supplementary information for the article: Vitomirov, T.; Dimiza, F.; Matić, I. Z.; Stanojković, T.; Pirković, A.; Živković, L.; Spremo-Potparević, B.; Novaković, I.; Anđelković, K.; Milčić, M.; Psomas, G.; Ristović, M. Š. Copper(II) Complexes with 4-(Diethylamino)Salicylaldehyde and α-Diimines: Anticancer, Antioxidant, Antigenotoxic Effects and Interaction with DNA and Albumins. Journal of Inorganic Biochemistry 2022, 235, 111942. https://doi.org/10.1016/j.jinorgbio.2022.111942.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5519
ER  - 

@misc{
author = "Vitomirov, Teodora and Dimiza, Filitsa and Matić, Ivana Z. and Stanojković, Tatjana and Pirković, Andrea and Živković, Lada and Spremo-Potparević, Biljana and Novaković, Irena T. and Anđelković, Katarina K. and Milčić, Miloš K. and Psomas, George and Ristović, Maja Šumar",
year = "2022",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Supplementary information for the article: Vitomirov, T.; Dimiza, F.; Matić, I. Z.; Stanojković, T.; Pirković, A.; Živković, L.; Spremo-Potparević, B.; Novaković, I.; Anđelković, K.; Milčić, M.; Psomas, G.; Ristović, M. Š. Copper(II) Complexes with 4-(Diethylamino)Salicylaldehyde and α-Diimines: Anticancer, Antioxidant, Antigenotoxic Effects and Interaction with DNA and Albumins. Journal of Inorganic Biochemistry 2022, 235, 111942. https://doi.org/10.1016/j.jinorgbio.2022.111942.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5519"
}

Vitomirov, T., Dimiza, F., Matić, I. Z., Stanojković, T., Pirković, A., Živković, L., Spremo-Potparević, B., Novaković, I. T., Anđelković, K. K., Milčić, M. K., Psomas, G.,& Ristović, M. Š.. (2022). Supplementary information for the article: Vitomirov, T.; Dimiza, F.; Matić, I. Z.; Stanojković, T.; Pirković, A.; Živković, L.; Spremo-Potparević, B.; Novaković, I.; Anđelković, K.; Milčić, M.; Psomas, G.; Ristović, M. Š. Copper(II) Complexes with 4-(Diethylamino)Salicylaldehyde and α-Diimines: Anticancer, Antioxidant, Antigenotoxic Effects and Interaction with DNA and Albumins. Journal of Inorganic Biochemistry 2022, 235, 111942. https://doi.org/10.1016/j.jinorgbio.2022.111942.. in Journal of Inorganic Biochemistry
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_5519

Vitomirov T, Dimiza F, Matić IZ, Stanojković T, Pirković A, Živković L, Spremo-Potparević B, Novaković IT, Anđelković KK, Milčić MK, Psomas G, Ristović MŠ. Supplementary information for the article: Vitomirov, T.; Dimiza, F.; Matić, I. Z.; Stanojković, T.; Pirković, A.; Živković, L.; Spremo-Potparević, B.; Novaković, I.; Anđelković, K.; Milčić, M.; Psomas, G.; Ristović, M. Š. Copper(II) Complexes with 4-(Diethylamino)Salicylaldehyde and α-Diimines: Anticancer, Antioxidant, Antigenotoxic Effects and Interaction with DNA and Albumins. Journal of Inorganic Biochemistry 2022, 235, 111942. https://doi.org/10.1016/j.jinorgbio.2022.111942.. in Journal of Inorganic Biochemistry. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_5519 .

Vitomirov, Teodora, Dimiza, Filitsa, Matić, Ivana Z., Stanojković, Tatjana, Pirković, Andrea, Živković, Lada, Spremo-Potparević, Biljana, Novaković, Irena T., Anđelković, Katarina K., Milčić, Miloš K., Psomas, George, Ristović, Maja Šumar, "Supplementary information for the article: Vitomirov, T.; Dimiza, F.; Matić, I. Z.; Stanojković, T.; Pirković, A.; Živković, L.; Spremo-Potparević, B.; Novaković, I.; Anđelković, K.; Milčić, M.; Psomas, G.; Ristović, M. Š. Copper(II) Complexes with 4-(Diethylamino)Salicylaldehyde and α-Diimines: Anticancer, Antioxidant, Antigenotoxic Effects and Interaction with DNA and Albumins. Journal of Inorganic Biochemistry 2022, 235, 111942. https://doi.org/10.1016/j.jinorgbio.2022.111942." in Journal of Inorganic Biochemistry (2022),
https://hdl.handle.net/21.15107/rcub_cherry_5519 .

TY  - JOUR
AU  - Šunderić, Miloš
AU  - Vasović, Tamara
AU  - Milčić, Miloš K.
AU  - Miljević, Čedo
AU  - Nedić, Olgica
AU  - Nikolić, Milan
AU  - Gligorijević, Nikola
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S0141813021009284
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4538
AB  - In this study, the interaction between clozapine, an atypical antipsychotic drug, and alpha-2-macroglobulin (α2M), a multipurpose anti-proteinase, was investigated under simulated (patho) physiological conditions using multiple spectroscopic techniques and molecular modeling. It was found that α2M binds clozapine with a moderate affinity (the binding constant of 0.9 × 105 M−1 at 37 °C). The preferable binding site for both clozapine's atropisomers was revealed to be a large pocket at the interface of C and D monomer subunits of the protein. Hydrogen bonds and the hydrophobic effect were proposed as dominant forces in complex formation. The binding of clozapine did not induce significant conformational change of the protein, as confirmed by virtually unaltered α2M secondary structure and anti-proteinase activity. However, both clozapine and α2M shielded each other from the deleterious influence of strong oxidants: sodium hypochlorite and 2,2′-azobis-2-methyl-propanimidamide dihydrochloride (AAPH). Moreover, clozapine in a concentration range that is usually targeted in the plasma during patients' treatment effectively protected the anti-proteinase activity of α2M under AAPH-induced free radical overproduction. Our results suggest that the cooperation between α2M and clozapine may be a path by which these two molecules synergistically protect neural tissue against injury caused by disturbed proteostasis or oxidative stress.
PB  - Elsevier
T2  - International Journal of Biological Macromolecules
T1  - Antipsychotic clozapine binding to alpha-2-macroglobulin protects interacting partners against oxidation and preserves the anti-proteinase activity of the protein
VL  - 183
SP  - 502
EP  - 512
DO  - 10.1016/j.ijbiomac.2021.04.155
ER  - 

@article{
author = "Šunderić, Miloš and Vasović, Tamara and Milčić, Miloš K. and Miljević, Čedo and Nedić, Olgica and Nikolić, Milan and Gligorijević, Nikola",
year = "2021",
abstract = "In this study, the interaction between clozapine, an atypical antipsychotic drug, and alpha-2-macroglobulin (α2M), a multipurpose anti-proteinase, was investigated under simulated (patho) physiological conditions using multiple spectroscopic techniques and molecular modeling. It was found that α2M binds clozapine with a moderate affinity (the binding constant of 0.9 × 105 M−1 at 37 °C). The preferable binding site for both clozapine's atropisomers was revealed to be a large pocket at the interface of C and D monomer subunits of the protein. Hydrogen bonds and the hydrophobic effect were proposed as dominant forces in complex formation. The binding of clozapine did not induce significant conformational change of the protein, as confirmed by virtually unaltered α2M secondary structure and anti-proteinase activity. However, both clozapine and α2M shielded each other from the deleterious influence of strong oxidants: sodium hypochlorite and 2,2′-azobis-2-methyl-propanimidamide dihydrochloride (AAPH). Moreover, clozapine in a concentration range that is usually targeted in the plasma during patients' treatment effectively protected the anti-proteinase activity of α2M under AAPH-induced free radical overproduction. Our results suggest that the cooperation between α2M and clozapine may be a path by which these two molecules synergistically protect neural tissue against injury caused by disturbed proteostasis or oxidative stress.",
publisher = "Elsevier",
journal = "International Journal of Biological Macromolecules",
title = "Antipsychotic clozapine binding to alpha-2-macroglobulin protects interacting partners against oxidation and preserves the anti-proteinase activity of the protein",
volume = "183",
pages = "502-512",
doi = "10.1016/j.ijbiomac.2021.04.155"
}

Šunderić, M., Vasović, T., Milčić, M. K., Miljević, Č., Nedić, O., Nikolić, M.,& Gligorijević, N.. (2021). Antipsychotic clozapine binding to alpha-2-macroglobulin protects interacting partners against oxidation and preserves the anti-proteinase activity of the protein. in International Journal of Biological Macromolecules
Elsevier., 183, 502-512.
https://doi.org/10.1016/j.ijbiomac.2021.04.155

Šunderić M, Vasović T, Milčić MK, Miljević Č, Nedić O, Nikolić M, Gligorijević N. Antipsychotic clozapine binding to alpha-2-macroglobulin protects interacting partners against oxidation and preserves the anti-proteinase activity of the protein. in International Journal of Biological Macromolecules. 2021;183:502-512.
doi:10.1016/j.ijbiomac.2021.04.155 .

Šunderić, Miloš, Vasović, Tamara, Milčić, Miloš K., Miljević, Čedo, Nedić, Olgica, Nikolić, Milan, Gligorijević, Nikola, "Antipsychotic clozapine binding to alpha-2-macroglobulin protects interacting partners against oxidation and preserves the anti-proteinase activity of the protein" in International Journal of Biological Macromolecules, 183 (2021):502-512,
https://doi.org/10.1016/j.ijbiomac.2021.04.155 . .

TY  - DATA
AU  - Šunderić, Miloš
AU  - Vasović, Tamara
AU  - Milčić, Miloš K.
AU  - Miljević, Čedo
AU  - Nedić, Olgica
AU  - Nikolić, Milan
AU  - Gligorijević, Nikola
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S0141813021009284
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4541
PB  - Elsevier
T2  - International Journal of Biological Macromolecules
T1  - Supplementary data for the article: Šunderić, M.; Vasović, T.; Milčić, M.; Miljević, Č.; Nedić, O.; Nikolić, M. R.; Gligorijević, N. Antipsychotic Clozapine Binding to Alpha-2-Macroglobulin Protects Interacting Partners against Oxidation and Preserves the Anti-Proteinase Activity of the Protein. International Journal of Biological Macromolecules 2021, 183, 502–512. https://doi.org/10.1016/j.ijbiomac.2021.04.155.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4541
ER  - 

@misc{
author = "Šunderić, Miloš and Vasović, Tamara and Milčić, Miloš K. and Miljević, Čedo and Nedić, Olgica and Nikolić, Milan and Gligorijević, Nikola",
year = "2021",
publisher = "Elsevier",
journal = "International Journal of Biological Macromolecules",
title = "Supplementary data for the article: Šunderić, M.; Vasović, T.; Milčić, M.; Miljević, Č.; Nedić, O.; Nikolić, M. R.; Gligorijević, N. Antipsychotic Clozapine Binding to Alpha-2-Macroglobulin Protects Interacting Partners against Oxidation and Preserves the Anti-Proteinase Activity of the Protein. International Journal of Biological Macromolecules 2021, 183, 502–512. https://doi.org/10.1016/j.ijbiomac.2021.04.155.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4541"
}

Šunderić, M., Vasović, T., Milčić, M. K., Miljević, Č., Nedić, O., Nikolić, M.,& Gligorijević, N.. (2021). Supplementary data for the article: Šunderić, M.; Vasović, T.; Milčić, M.; Miljević, Č.; Nedić, O.; Nikolić, M. R.; Gligorijević, N. Antipsychotic Clozapine Binding to Alpha-2-Macroglobulin Protects Interacting Partners against Oxidation and Preserves the Anti-Proteinase Activity of the Protein. International Journal of Biological Macromolecules 2021, 183, 502–512. https://doi.org/10.1016/j.ijbiomac.2021.04.155.. in International Journal of Biological Macromolecules
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4541

Šunderić M, Vasović T, Milčić MK, Miljević Č, Nedić O, Nikolić M, Gligorijević N. Supplementary data for the article: Šunderić, M.; Vasović, T.; Milčić, M.; Miljević, Č.; Nedić, O.; Nikolić, M. R.; Gligorijević, N. Antipsychotic Clozapine Binding to Alpha-2-Macroglobulin Protects Interacting Partners against Oxidation and Preserves the Anti-Proteinase Activity of the Protein. International Journal of Biological Macromolecules 2021, 183, 502–512. https://doi.org/10.1016/j.ijbiomac.2021.04.155.. in International Journal of Biological Macromolecules. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4541 .

Šunderić, Miloš, Vasović, Tamara, Milčić, Miloš K., Miljević, Čedo, Nedić, Olgica, Nikolić, Milan, Gligorijević, Nikola, "Supplementary data for the article: Šunderić, M.; Vasović, T.; Milčić, M.; Miljević, Č.; Nedić, O.; Nikolić, M. R.; Gligorijević, N. Antipsychotic Clozapine Binding to Alpha-2-Macroglobulin Protects Interacting Partners against Oxidation and Preserves the Anti-Proteinase Activity of the Protein. International Journal of Biological Macromolecules 2021, 183, 502–512. https://doi.org/10.1016/j.ijbiomac.2021.04.155." in International Journal of Biological Macromolecules (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4541 .

TY  - JOUR
AU  - Jakšić, Jovana
AU  - Mitrović, Aleksandra D.
AU  - Tokić-Vujošević, Zorana
AU  - Milčić, Miloš K.
AU  - Maslak, Veselin
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4714
AB  - In this study, β-keto esters as readily available bio-based building blocks were used to decorate the C60 sphere. Generally, cyclopropanated fullerene derivatives are obtained by the standard Bingel–Hirsch procedure. Herein, omitting the iodine from the reaction mixture and adding TEMPO afforded dihydrofuran fused C60 fullerene derivatives. The mechanism of the reaction shifted from nucleophilic aliphatic substitution to oxidative [3 + 2] cycloaddition via fullerenyl cations as an intermediate. This mechanism is proposed based on a series of control experiments with radical scavengers. Therefore, dihydrofuran-fused C60 derivatives were selectively obtained in good yields and their structures were established based on UV-Vis, IR, NMR spectroscopy and mass spectrometry. The electrochemical properties of the synthesized compounds were investigated by cyclic voltammetry. DFT calculations were performed in order to investigate the difference in stability, electronic properties and π-electron delocalization between methano and furano fullerenes.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60
VL  - 11
IS  - 47
SP  - 29426
EP  - 29432
DO  - 10.1039/D1RA03944J
ER  - 

@article{
author = "Jakšić, Jovana and Mitrović, Aleksandra D. and Tokić-Vujošević, Zorana and Milčić, Miloš K. and Maslak, Veselin",
year = "2021",
abstract = "In this study, β-keto esters as readily available bio-based building blocks were used to decorate the C60 sphere. Generally, cyclopropanated fullerene derivatives are obtained by the standard Bingel–Hirsch procedure. Herein, omitting the iodine from the reaction mixture and adding TEMPO afforded dihydrofuran fused C60 fullerene derivatives. The mechanism of the reaction shifted from nucleophilic aliphatic substitution to oxidative [3 + 2] cycloaddition via fullerenyl cations as an intermediate. This mechanism is proposed based on a series of control experiments with radical scavengers. Therefore, dihydrofuran-fused C60 derivatives were selectively obtained in good yields and their structures were established based on UV-Vis, IR, NMR spectroscopy and mass spectrometry. The electrochemical properties of the synthesized compounds were investigated by cyclic voltammetry. DFT calculations were performed in order to investigate the difference in stability, electronic properties and π-electron delocalization between methano and furano fullerenes.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60",
volume = "11",
number = "47",
pages = "29426-29432",
doi = "10.1039/D1RA03944J"
}

Jakšić, J., Mitrović, A. D., Tokić-Vujošević, Z., Milčić, M. K.,& Maslak, V.. (2021). Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60. in RSC Advances
Royal Society of Chemistry., 11(47), 29426-29432.
https://doi.org/10.1039/D1RA03944J

Jakšić J, Mitrović AD, Tokić-Vujošević Z, Milčić MK, Maslak V. Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60. in RSC Advances. 2021;11(47):29426-29432.
doi:10.1039/D1RA03944J .

Jakšić, Jovana, Mitrović, Aleksandra D., Tokić-Vujošević, Zorana, Milčić, Miloš K., Maslak, Veselin, "Selective formation of dihydrofuran fused [60] fullerene derivatives by TEMPO mediated [3 + 2] cycloaddition of medium chain β-keto esters to C60" in RSC Advances, 11, no. 47 (2021):29426-29432,
https://doi.org/10.1039/D1RA03944J . .

TY  - DATA
AU  - Jakšić, Jovana
AU  - Mitrović, Aleksandra D.
AU  - Tokić-Vujošević, Zorana
AU  - Milčić, Miloš K.
AU  - Maslak, Veselin
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4717
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Supplementary data for the article: Jakšić, J.; Mitrović, A.; Vujošević, Z. T.; Milčić, M.; Maslak, V. Selective Formation of Dihydrofuran Fused [60] Fullerene Derivatives by TEMPO Mediated [3 + 2] Cycloaddition of Medium Chain β-Keto Esters to C60. RSC Adv. 2021, 11 (47), 29426–29432. https://doi.org/10.1039/D1RA03944J.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4717
ER  - 

@misc{
author = "Jakšić, Jovana and Mitrović, Aleksandra D. and Tokić-Vujošević, Zorana and Milčić, Miloš K. and Maslak, Veselin",
year = "2021",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Supplementary data for the article: Jakšić, J.; Mitrović, A.; Vujošević, Z. T.; Milčić, M.; Maslak, V. Selective Formation of Dihydrofuran Fused [60] Fullerene Derivatives by TEMPO Mediated [3 + 2] Cycloaddition of Medium Chain β-Keto Esters to C60. RSC Adv. 2021, 11 (47), 29426–29432. https://doi.org/10.1039/D1RA03944J.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4717"
}

Jakšić, J., Mitrović, A. D., Tokić-Vujošević, Z., Milčić, M. K.,& Maslak, V.. (2021). Supplementary data for the article: Jakšić, J.; Mitrović, A.; Vujošević, Z. T.; Milčić, M.; Maslak, V. Selective Formation of Dihydrofuran Fused [60] Fullerene Derivatives by TEMPO Mediated [3 + 2] Cycloaddition of Medium Chain β-Keto Esters to C60. RSC Adv. 2021, 11 (47), 29426–29432. https://doi.org/10.1039/D1RA03944J.. in RSC Advances
Royal Society of Chemistry..
https://hdl.handle.net/21.15107/rcub_cherry_4717

Jakšić J, Mitrović AD, Tokić-Vujošević Z, Milčić MK, Maslak V. Supplementary data for the article: Jakšić, J.; Mitrović, A.; Vujošević, Z. T.; Milčić, M.; Maslak, V. Selective Formation of Dihydrofuran Fused [60] Fullerene Derivatives by TEMPO Mediated [3 + 2] Cycloaddition of Medium Chain β-Keto Esters to C60. RSC Adv. 2021, 11 (47), 29426–29432. https://doi.org/10.1039/D1RA03944J.. in RSC Advances. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4717 .

Jakšić, Jovana, Mitrović, Aleksandra D., Tokić-Vujošević, Zorana, Milčić, Miloš K., Maslak, Veselin, "Supplementary data for the article: Jakšić, J.; Mitrović, A.; Vujošević, Z. T.; Milčić, M.; Maslak, V. Selective Formation of Dihydrofuran Fused [60] Fullerene Derivatives by TEMPO Mediated [3 + 2] Cycloaddition of Medium Chain β-Keto Esters to C60. RSC Adv. 2021, 11 (47), 29426–29432. https://doi.org/10.1039/D1RA03944J." in RSC Advances (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4717 .

TY  - JOUR
AU  - Stevanović, Nikola R.
AU  - Apostolović, Danijela
AU  - Milčić, Miloš K.
AU  - Lolić, Aleksandar
AU  - Hage, Marianne van
AU  - Ćirković-Veličković, Tanja
AU  - Baošić, Rada
PY  - 2021
UR  - https://pubs.rsc.org/en/content/articlelanding/2021/nj/d1nj00040c
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4399
AB  - Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.
T2  - New Journal of Chemistry
T1  - Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2
VL  - 45
IS  - 14
SP  - 6231
EP  - 6237
DO  - 10.1039/D1NJ00040C
ER  - 

@article{
author = "Stevanović, Nikola R. and Apostolović, Danijela and Milčić, Miloš K. and Lolić, Aleksandar and Hage, Marianne van and Ćirković-Veličković, Tanja and Baošić, Rada",
year = "2021",
abstract = "Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.",
journal = "New Journal of Chemistry",
title = "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2",
volume = "45",
number = "14",
pages = "6231-6237",
doi = "10.1039/D1NJ00040C"
}

Stevanović, N. R., Apostolović, D., Milčić, M. K., Lolić, A., Hage, M. v., Ćirković-Veličković, T.,& Baošić, R.. (2021). Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry, 45(14), 6231-6237.
https://doi.org/10.1039/D1NJ00040C

Stevanović NR, Apostolović D, Milčić MK, Lolić A, Hage MV, Ćirković-Veličković T, Baošić R. Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry. 2021;45(14):6231-6237.
doi:10.1039/D1NJ00040C .

Stevanović, Nikola R., Apostolović, Danijela, Milčić, Miloš K., Lolić, Aleksandar, Hage, Marianne van, Ćirković-Veličković, Tanja, Baošić, Rada, "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2" in New Journal of Chemistry, 45, no. 14 (2021):6231-6237,
https://doi.org/10.1039/D1NJ00040C . .

TY  - DATA
AU  - Stevanović, Nikola R.
AU  - Apostolović, Danijela
AU  - Milčić, Miloš K.
AU  - Lolić, Aleksandar
AU  - Hage, Marianne van
AU  - Ćirković-Veličković, Tanja
AU  - Baošić, Rada
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4400
T2  - New Journal of Chemistry
T1  - Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4400
ER  - 

@misc{
author = "Stevanović, Nikola R. and Apostolović, Danijela and Milčić, Miloš K. and Lolić, Aleksandar and Hage, Marianne van and Ćirković-Veličković, Tanja and Baošić, Rada",
year = "2021",
journal = "New Journal of Chemistry",
title = "Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4400"
}

Stevanović, N. R., Apostolović, D., Milčić, M. K., Lolić, A., Hage, M. v., Ćirković-Veličković, T.,& Baošić, R.. (2021). Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.. in New Journal of Chemistry.
https://hdl.handle.net/21.15107/rcub_cherry_4400

Stevanović NR, Apostolović D, Milčić MK, Lolić A, Hage MV, Ćirković-Veličković T, Baošić R. Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C.. in New Journal of Chemistry. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4400 .

Stevanović, Nikola R., Apostolović, Danijela, Milčić, Miloš K., Lolić, Aleksandar, Hage, Marianne van, Ćirković-Veličković, Tanja, Baošić, Rada, "Supplementary data for the article: Stevanović, N.; Apostolović, D.; Milčić, M.; Lolić, A.; Hage, M. van; Veličković, T. Ć.; Baošić, R. Interaction, Binding Capacity and Anticancer Properties of N,N′-Bis(Acetylacetone)-Propylenediimine-Copper(II) on Colorectal Cancer Cell Line Caco-2. New J. Chem. 2021, 45 (14), 6231–6237. https://doi.org/10.1039/D1NJ00040C." in New Journal of Chemistry (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4400 .

TY  - JOUR
AU  - Stevanović, Nikola R.
AU  - Apostolović, Danijela
AU  - Milčić, Miloš K.
AU  - Lolić, Aleksandar
AU  - Hage, Marianne van
AU  - Ćirković-Veličković, Tanja
AU  - Baošić, Rada
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4856
AB  - Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.
T2  - New Journal of Chemistry
T1  - Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2
VL  - 45
IS  - 14
SP  - 6231
EP  - 6237
DO  - 10.1039/D1NJ00040C
ER  - 

@article{
author = "Stevanović, Nikola R. and Apostolović, Danijela and Milčić, Miloš K. and Lolić, Aleksandar and Hage, Marianne van and Ćirković-Veličković, Tanja and Baošić, Rada",
year = "2021",
abstract = "Different Schiff base complexes have biological activities that make them suitable for drug design. The biological properties of tetradentate Schiff base copper(II) complexed with N,N′-bis(acetylacetone)propylenediimine have been studied. The cytotoxic activity towards Caco-2 cells were determined by MTT, Anexin V and PI apoptosis assays. N,N′-bis(acetylacetone)propylenediimine-copper(II) showed the anti-cancer and anti-proliferative properties by inducing apoptosis in Caco-2 cells. A comparison of the cytotoxic activity of this compound with cisplatin shows that it is more effective on the colorectal cancer cell line Caco-2. The binding capacity and interaction of N,N′-bis(acetylacetone)propylenediimine-copper(II) with HSA were systemically investigated by in vitro fluorescence spectroscopy, CD spectroscopy, and in silico molecular docking study. Furthermore, in vitro and in silico interaction studies indicated that the complex binds to HSA through a static quenching mechanism without changes in protein conformation. The calculated number of binding sites was in line with molecular docking studies. The obtained Ka value suggests that the compound can be released from the protein in target cells. The tetradentate Schiff base copper(II) complex exhibited in vitro biological activities against cancer epithelial cells, which depend on the molecular structure of the complex, causing apoptosis, and the complex can bind to the protein drug carrier in circulation to the target tissue.",
journal = "New Journal of Chemistry",
title = "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2",
volume = "45",
number = "14",
pages = "6231-6237",
doi = "10.1039/D1NJ00040C"
}

Stevanović, N. R., Apostolović, D., Milčić, M. K., Lolić, A., Hage, M. v., Ćirković-Veličković, T.,& Baošić, R.. (2021). Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry, 45(14), 6231-6237.
https://doi.org/10.1039/D1NJ00040C

Stevanović NR, Apostolović D, Milčić MK, Lolić A, Hage MV, Ćirković-Veličković T, Baošić R. Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2. in New Journal of Chemistry. 2021;45(14):6231-6237.
doi:10.1039/D1NJ00040C .

Stevanović, Nikola R., Apostolović, Danijela, Milčić, Miloš K., Lolić, Aleksandar, Hage, Marianne van, Ćirković-Veličković, Tanja, Baošić, Rada, "Interaction, binding capacity and anticancer properties of N,N′-bis(acetylacetone)-propylenediimine-copper(II) on colorectal cancer cell line Caco-2" in New Journal of Chemistry, 45, no. 14 (2021):6231-6237,
https://doi.org/10.1039/D1NJ00040C . .

TY  - JOUR
AU  - Mrđan, Gorana S.
AU  - Vastag, Gyöngyi Gy.
AU  - Škorić, Dušan Đ.
AU  - Radanović, Mirjana M.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Stojiljković, Ivana N.
AU  - Marković, Olivera S.
AU  - Matijević, Borko M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4453
AB  - Derivatives of thiocarbohydrazone studied so far have shown great biological activity such as antioxidant, antimicrobial, and anticancer. Most of these compounds are bis-substituted derivatives, while monothiocarbohydrazones are much less investigated. Еighteen monothiocarbohydrazones were synthesized and subjected to physicochemical characterization in order to facilitate the examination of their potential biological activity and application in future studies. The structure of synthesized derivatives was confirmed with NMR and FT–IR spectroscopy, and with elemental analysis. For one of the compounds, single-crystal X-ray diffraction analysis was performed. Specific and non-specific molecular interactions were interpreted by LSER principles, using Catalan’s model. For additional information about the dominance and influence of the interactions presented, correlations with Hansen’s solubility parameters were calculated. Influence of the type and position of the substituent on absorption maxima was determined with LFER (linear free-energy relationship) principles, using Hammett’s equation. Acidity constants of the synthesized compounds were theoretically calculated and experimentally determined. Moreover, the excitation of a molecule by a photon of UV–Vis light was interpreted by time-dependent density functional theory (TD–DFT) calculations of UV absorption bands, and intramolecular charge transfer (ICT) was quantified by calculations of the charge transfer distances (DCT). © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature.
PB  - Springer Nature
T2  - Structural Chemistry
T2  - Structural Chemistry
T2  - Structural Chemistry
T1  - Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives
VL  - 32
IS  - 3
SP  - 1231
EP  - 1245
DO  - 10.1007/s11224-020-01700-y
ER  - 

@article{
author = "Mrđan, Gorana S. and Vastag, Gyöngyi Gy. and Škorić, Dušan Đ. and Radanović, Mirjana M. and Verbić, Tatjana and Milčić, Miloš K. and Stojiljković, Ivana N. and Marković, Olivera S. and Matijević, Borko M.",
year = "2021",
abstract = "Derivatives of thiocarbohydrazone studied so far have shown great biological activity such as antioxidant, antimicrobial, and anticancer. Most of these compounds are bis-substituted derivatives, while monothiocarbohydrazones are much less investigated. Еighteen monothiocarbohydrazones were synthesized and subjected to physicochemical characterization in order to facilitate the examination of their potential biological activity and application in future studies. The structure of synthesized derivatives was confirmed with NMR and FT–IR spectroscopy, and with elemental analysis. For one of the compounds, single-crystal X-ray diffraction analysis was performed. Specific and non-specific molecular interactions were interpreted by LSER principles, using Catalan’s model. For additional information about the dominance and influence of the interactions presented, correlations with Hansen’s solubility parameters were calculated. Influence of the type and position of the substituent on absorption maxima was determined with LFER (linear free-energy relationship) principles, using Hammett’s equation. Acidity constants of the synthesized compounds were theoretically calculated and experimentally determined. Moreover, the excitation of a molecule by a photon of UV–Vis light was interpreted by time-dependent density functional theory (TD–DFT) calculations of UV absorption bands, and intramolecular charge transfer (ICT) was quantified by calculations of the charge transfer distances (DCT). © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature.",
publisher = "Springer Nature",
journal = "Structural Chemistry, Structural Chemistry, Structural Chemistry",
title = "Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives",
volume = "32",
number = "3",
pages = "1231-1245",
doi = "10.1007/s11224-020-01700-y"
}

Mrđan, G. S., Vastag, G. Gy., Škorić, D. Đ., Radanović, M. M., Verbić, T., Milčić, M. K., Stojiljković, I. N., Marković, O. S.,& Matijević, B. M.. (2021). Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives. in Structural Chemistry
Springer Nature., 32(3), 1231-1245.
https://doi.org/10.1007/s11224-020-01700-y

Mrđan GS, Vastag GG, Škorić DĐ, Radanović MM, Verbić T, Milčić MK, Stojiljković IN, Marković OS, Matijević BM. Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives. in Structural Chemistry. 2021;32(3):1231-1245.
doi:10.1007/s11224-020-01700-y .

Mrđan, Gorana S., Vastag, Gyöngyi Gy., Škorić, Dušan Đ., Radanović, Mirjana M., Verbić, Tatjana, Milčić, Miloš K., Stojiljković, Ivana N., Marković, Olivera S., Matijević, Borko M., "Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives" in Structural Chemistry, 32, no. 3 (2021):1231-1245,
https://doi.org/10.1007/s11224-020-01700-y . .

TY  - DATA
AU  - Mrđan, Gorana S.
AU  - Vastag, Gyöngyi Gy.
AU  - Škorić, Dušan Đ.
AU  - Radanović, Mirjana M.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Stojiljković, Ivana N.
AU  - Marković, Olivera S.
AU  - Matijević, Borko M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4454
PB  - Springer Nature
T2  - Structural Chemistry
T1  - Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4454
ER  - 

@misc{
author = "Mrđan, Gorana S. and Vastag, Gyöngyi Gy. and Škorić, Dušan Đ. and Radanović, Mirjana M. and Verbić, Tatjana and Milčić, Miloš K. and Stojiljković, Ivana N. and Marković, Olivera S. and Matijević, Borko M.",
year = "2021",
publisher = "Springer Nature",
journal = "Structural Chemistry",
title = "Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4454"
}

Mrđan, G. S., Vastag, G. Gy., Škorić, D. Đ., Radanović, M. M., Verbić, T., Milčić, M. K., Stojiljković, I. N., Marković, O. S.,& Matijević, B. M.. (2021). Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.. in Structural Chemistry
Springer Nature..
https://hdl.handle.net/21.15107/rcub_cherry_4454

Mrđan GS, Vastag GG, Škorić DĐ, Radanović MM, Verbić T, Milčić MK, Stojiljković IN, Marković OS, Matijević BM. Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y.. in Structural Chemistry. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4454 .

Mrđan, Gorana S., Vastag, Gyöngyi Gy., Škorić, Dušan Đ., Radanović, Mirjana M., Verbić, Tatjana, Milčić, Miloš K., Stojiljković, Ivana N., Marković, Olivera S., Matijević, Borko M., "Supplementary data for the article: Mrđan, G. S.; Vastag, G. G.; Škorić, D. Đ.; Radanović, M. M.; Verbić, T. Ž.; Milčić, M. K.; Stojiljković, I. N.; Marković, O. S.; Matijević, B. M. Synthesis, Physicochemical Characterization, and TD–DFT Calculations of Monothiocarbohydrazone Derivatives. Structural Chemistry 2021, 32 (3), 1231–1245. https://doi.org/10.1007/s11224-020-01700-y." in Structural Chemistry (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4454 .

TY  - JOUR
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4420
AB  - Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study
VL  - 253
SP  - 119576
DO  - 10.1016/j.saa.2021.119576
ER  - 

@article{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
abstract = "Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study",
volume = "253",
pages = "119576",
doi = "10.1016/j.saa.2021.119576"
}

Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K.. (2021). Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier., 253, 119576.
https://doi.org/10.1016/j.saa.2021.119576

Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;253:119576.
doi:10.1016/j.saa.2021.119576 .

Stojiljković, Ivana N., Rančić, Milica, Marinković, Aleksandar, Cvijetić, Ilija, Milčić, Miloš K., "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study" in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 253 (2021):119576,
https://doi.org/10.1016/j.saa.2021.119576 . .

TY  - DATA
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4421
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4421
ER  - 

@misc{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4421"
}

Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K.. (2021). Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4421

Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4421 .

Stojiljković, Ivana N., Rančić, Milica, Marinković, Aleksandar, Cvijetić, Ilija, Milčić, Miloš K., "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576." in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4421 .

TY  - JOUR
AU  - Perendija, Jovana
AU  - Veličković, Zlate
AU  - Dražević, Ljubinka
AU  - Stojiljković, Ivana N.
AU  - Milčić, Miloš K.
AU  - Milosavljević, Milutin M.
AU  - Marinković, Aleksandar
AU  - Pavlović, Vladimir B.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4752
AB  - Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 and Cell-DTPA, respectively), and amino-modified diatomite was used for Azoxystrobin and Iprodione removal from water. Cell-MG membrane was structurally and morphologically characterized using FT-IR and FE-SEM techniques. The influences of operational parameters, i.e. pH, contact time, temperature, and the mass of adsorbent on adsorption and kinetics were studied in a batch system. The calculated capacities of 35.32 and 30.16 mg g-1 for Azoxystrobin and Iprodione, respectively, were obtained from non-linear Langmuir model fitting. Weber-Morris model fitting indicates the main contribution of intra-particle diffusion to overall mass transport resistance. Thermodynamic data indicate spontaneous and endothermic adsorption. The reusability of adsorbent and results from wastewater purification showed that Cell-MG could be used as general-purpose adsorbent. The adsorbent/adsorbate surface interaction was considered from the results obtained using density functional theory (DFT) and calculation of molecular electrostatic potential (MEP). Thus, a better understanding of the relation between the adsorption performances and contribution of non-specific and specific interactions to adsorption performances and design of novel adsorbent with improved properties was deduced
PB  - Association for ETRAN Society
T2  - Science of Sintering
T1  - Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent
VL  - 53
IS  - 3
SP  - 355
EP  - 378
DO  - 10.2298/SOS2103355P
ER  - 

@article{
author = "Perendija, Jovana and Veličković, Zlate and Dražević, Ljubinka and Stojiljković, Ivana N. and Milčić, Miloš K. and Milosavljević, Milutin M. and Marinković, Aleksandar and Pavlović, Vladimir B.",
year = "2021",
abstract = "Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 and Cell-DTPA, respectively), and amino-modified diatomite was used for Azoxystrobin and Iprodione removal from water. Cell-MG membrane was structurally and morphologically characterized using FT-IR and FE-SEM techniques. The influences of operational parameters, i.e. pH, contact time, temperature, and the mass of adsorbent on adsorption and kinetics were studied in a batch system. The calculated capacities of 35.32 and 30.16 mg g-1 for Azoxystrobin and Iprodione, respectively, were obtained from non-linear Langmuir model fitting. Weber-Morris model fitting indicates the main contribution of intra-particle diffusion to overall mass transport resistance. Thermodynamic data indicate spontaneous and endothermic adsorption. The reusability of adsorbent and results from wastewater purification showed that Cell-MG could be used as general-purpose adsorbent. The adsorbent/adsorbate surface interaction was considered from the results obtained using density functional theory (DFT) and calculation of molecular electrostatic potential (MEP). Thus, a better understanding of the relation between the adsorption performances and contribution of non-specific and specific interactions to adsorption performances and design of novel adsorbent with improved properties was deduced",
publisher = "Association for ETRAN Society",
journal = "Science of Sintering",
title = "Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent",
volume = "53",
number = "3",
pages = "355-378",
doi = "10.2298/SOS2103355P"
}

Perendija, J., Veličković, Z., Dražević, L., Stojiljković, I. N., Milčić, M. K., Milosavljević, M. M., Marinković, A.,& Pavlović, V. B.. (2021). Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent. in Science of Sintering
Association for ETRAN Society., 53(3), 355-378.
https://doi.org/10.2298/SOS2103355P

Perendija J, Veličković Z, Dražević L, Stojiljković IN, Milčić MK, Milosavljević MM, Marinković A, Pavlović VB. Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent. in Science of Sintering. 2021;53(3):355-378.
doi:10.2298/SOS2103355P .

Perendija, Jovana, Veličković, Zlate, Dražević, Ljubinka, Stojiljković, Ivana N., Milčić, Miloš K., Milosavljević, Milutin M., Marinković, Aleksandar, Pavlović, Vladimir B., "Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent" in Science of Sintering, 53, no. 3 (2021):355-378,
https://doi.org/10.2298/SOS2103355P . .

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka D.
AU  - Jevtović (born Romanović), Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš K.
AU  - Gruden, Maja
AU  - Zlatar, Matej
AU  - Đorđević, Nataša
AU  - Anđelković, Katarina K.
AU  - Čobeljić, Božidar
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5688
AB  - Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.
PB  - Elsevier
T2  - J. Mol. Struct.
T1  - Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation
VL  - 1266
SP  - 133509
DO  - 10.1016/j.molstruc.2022.133509
ER  - 

@article{
author = "Darmanović, Darinka and Radanović, Dušanka D. and Jevtović (born Romanović), Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš K. and Gruden, Maja and Zlatar, Matej and Đorđević, Nataša and Anđelković, Katarina K. and Čobeljić, Božidar",
year = "2020",
abstract = "Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.",
publisher = "Elsevier",
journal = "J. Mol. Struct.",
title = "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation",
volume = "1266",
pages = "133509",
doi = "10.1016/j.molstruc.2022.133509"
}

Darmanović, D., Radanović, D. D., Jevtović (born Romanović), M., Turel, I., Pevec, A., Milčić, M. K., Gruden, M., Zlatar, M., Đorđević, N., Anđelković, K. K.,& Čobeljić, B.. (2020). Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in J. Mol. Struct.
Elsevier., 1266, 133509.
https://doi.org/10.1016/j.molstruc.2022.133509

Darmanović D, Radanović DD, Jevtović (born Romanović) M, Turel I, Pevec A, Milčić MK, Gruden M, Zlatar M, Đorđević N, Anđelković KK, Čobeljić B. Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in J. Mol. Struct.. 2020;1266:133509.
doi:10.1016/j.molstruc.2022.133509 .

Darmanović, Darinka, Radanović, Dušanka D., Jevtović (born Romanović), Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš K., Gruden, Maja, Zlatar, Matej, Đorđević, Nataša, Anđelković, Katarina K., Čobeljić, Božidar, "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" in J. Mol. Struct., 1266 (2020):133509,
https://doi.org/10.1016/j.molstruc.2022.133509 . .

TY  - JOUR
AU  - Mrđan, Gorana S.
AU  - Matijević, Borko M.
AU  - Vastag, Gyöngyi Gy.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš K.
AU  - Stojiljković, Ivana N.
PY  - 2020
UR  - https://doi.org/10.1007/s11696-020-01106-4
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4280
AB  - Carbohydrazones are compounds that are increasingly studied due to their wide potential biological activity. Monocarbohydrazones (mCHs), as one of the carbohydrazone derivatives, so far have been poorly investigated. For a more detailed study, in this paper, eighteen compounds of monocarbohydrazones (eight known and ten newly synthesized derivatives) were synthesized and characterized using NMR and IR spectroscopy. As carbohydrazones show E/Z isomerization caused by the presence of the imino group, some of the synthesized mCHs are in the form of a mixture of these two isomers. The effects of specific and nonspecific solvent–solute interactions on the UV absorption maxima shifts were evaluated using linear free energy relationships principles, i.e., using Kamlet–Taft’s and Catalan’s models. For more information about interactions between dissolved substance and the surrounding medium, correlations have been made with Hansen’s solubility parameters. The influence of the structure on the spectral behavior of the compounds tested was interpreted using Hammett’s equation. Experimentally obtained physicochemical properties of mCHs were compared to and confirmed with computational methods that included TD-DFT calculations and MP2 geometry optimizations.
T2  - Chemical Papers
T1  - Synthesis, solvent interactions and computational study of monocarbohydrazones
VL  - 74
IS  - 8
SP  - 2653
EP  - 2674
DO  - 10.1007/s11696-020-01106-4
ER  - 

@article{
author = "Mrđan, Gorana S. and Matijević, Borko M. and Vastag, Gyöngyi Gy. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Stojiljković, Ivana N.",
year = "2020",
abstract = "Carbohydrazones are compounds that are increasingly studied due to their wide potential biological activity. Monocarbohydrazones (mCHs), as one of the carbohydrazone derivatives, so far have been poorly investigated. For a more detailed study, in this paper, eighteen compounds of monocarbohydrazones (eight known and ten newly synthesized derivatives) were synthesized and characterized using NMR and IR spectroscopy. As carbohydrazones show E/Z isomerization caused by the presence of the imino group, some of the synthesized mCHs are in the form of a mixture of these two isomers. The effects of specific and nonspecific solvent–solute interactions on the UV absorption maxima shifts were evaluated using linear free energy relationships principles, i.e., using Kamlet–Taft’s and Catalan’s models. For more information about interactions between dissolved substance and the surrounding medium, correlations have been made with Hansen’s solubility parameters. The influence of the structure on the spectral behavior of the compounds tested was interpreted using Hammett’s equation. Experimentally obtained physicochemical properties of mCHs were compared to and confirmed with computational methods that included TD-DFT calculations and MP2 geometry optimizations.",
journal = "Chemical Papers",
title = "Synthesis, solvent interactions and computational study of monocarbohydrazones",
volume = "74",
number = "8",
pages = "2653-2674",
doi = "10.1007/s11696-020-01106-4"
}

Mrđan, G. S., Matijević, B. M., Vastag, G. Gy., Božić, A. R., Marinković, A., Milčić, M. K.,& Stojiljković, I. N.. (2020). Synthesis, solvent interactions and computational study of monocarbohydrazones. in Chemical Papers, 74(8), 2653-2674.
https://doi.org/10.1007/s11696-020-01106-4

Mrđan GS, Matijević BM, Vastag GG, Božić AR, Marinković A, Milčić MK, Stojiljković IN. Synthesis, solvent interactions and computational study of monocarbohydrazones. in Chemical Papers. 2020;74(8):2653-2674.
doi:10.1007/s11696-020-01106-4 .

Mrđan, Gorana S., Matijević, Borko M., Vastag, Gyöngyi Gy., Božić, Aleksandra R., Marinković, Aleksandar, Milčić, Miloš K., Stojiljković, Ivana N., "Synthesis, solvent interactions and computational study of monocarbohydrazones" in Chemical Papers, 74, no. 8 (2020):2653-2674,
https://doi.org/10.1007/s11696-020-01106-4 . .

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Filipović, Nenad R.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Klisurić, Olivera
AU  - Radišić, Marina
AU  - Marinković, Aleksandar
PY  - 2020
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/318
AB  - The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalán models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK a change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation. © 2017.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - A detailed experimental and computational study of monocarbohydrazones
VL  - 13
IS  - 1
SP  - 932
EP  - 953
DO  - 10.1016/j.arabjc.2017.08.010
ER  - 

@article{
author = "Božić, Aleksandra R. and Filipović, Nenad R. and Verbić, Tatjana and Milčić, Miloš K. and Todorović, Tamara and Cvijetić, Ilija and Klisurić, Olivera and Radišić, Marina and Marinković, Aleksandar",
year = "2020",
abstract = "The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalán models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK a change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation. © 2017.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "A detailed experimental and computational study of monocarbohydrazones",
volume = "13",
number = "1",
pages = "932-953",
doi = "10.1016/j.arabjc.2017.08.010"
}

Božić, A. R., Filipović, N. R., Verbić, T., Milčić, M. K., Todorović, T., Cvijetić, I., Klisurić, O., Radišić, M.,& Marinković, A.. (2020). A detailed experimental and computational study of monocarbohydrazones. in Arabian Journal of Chemistry
Elsevier., 13(1), 932-953.
https://doi.org/10.1016/j.arabjc.2017.08.010

Božić AR, Filipović NR, Verbić T, Milčić MK, Todorović T, Cvijetić I, Klisurić O, Radišić M, Marinković A. A detailed experimental and computational study of monocarbohydrazones. in Arabian Journal of Chemistry. 2020;13(1):932-953.
doi:10.1016/j.arabjc.2017.08.010 .

Božić, Aleksandra R., Filipović, Nenad R., Verbić, Tatjana, Milčić, Miloš K., Todorović, Tamara, Cvijetić, Ilija, Klisurić, Olivera, Radišić, Marina, Marinković, Aleksandar, "A detailed experimental and computational study of monocarbohydrazones" in Arabian Journal of Chemistry, 13, no. 1 (2020):932-953,
https://doi.org/10.1016/j.arabjc.2017.08.010 . .

TY  - JOUR
AU  - Radibratović, Milica
AU  - Al-Hanish, Ayah
AU  - Minić, Simeon L.
AU  - Radomirović, Mirjana Ž.
AU  - Milčić, Miloš K.
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković-Veličković, Tanja
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3733
AB  - α-Lactalbumin (ALA) is a Ca2+-binding protein which constitutes up to 20% of whey protein. At acidic pH, and in the apo-state at elevated temperatures, ALA is the classic 'molten globule' (MG). This study examined epigallo-catechin-3-gallate (EGCG) binding to ALA in its apo form (apoALA) and stabilizing effect on protein structure thereof. 

EGCG binds to apoALA in both native and MG state. The complex of EGCG and ALA is more stable to thermal denaturation. The docking analysis and molecular dynamic simulation (MDS) showed that Ca2+ removal decreased conformational stability of ALA, because of the local destabilization of Ca2+-binding region. EGCG binding to apoALA increases its stability by reverting of conformation and stability of Ca2+-binding region. Therefore, EGCG-induced thermal stability of apoALA is based on increased apoALA conformational rigidity. This study implies that during gastric digestion of tea with milk EGCG would remain bound to ALA, albeit in the Ca2+-free form.
PB  - Elsevier
T2  - Food Chemistry
T1  - Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study
VL  - 278
SP  - 388
EP  - 395
DO  - 10.1016/j.foodchem.2018.11.038
ER  - 

@article{
author = "Radibratović, Milica and Al-Hanish, Ayah and Minić, Simeon L. and Radomirović, Mirjana Ž. and Milčić, Miloš K. and Stanić-Vučinić, Dragana and Ćirković-Veličković, Tanja",
year = "2019",
abstract = "α-Lactalbumin (ALA) is a Ca2+-binding protein which constitutes up to 20% of whey protein. At acidic pH, and in the apo-state at elevated temperatures, ALA is the classic 'molten globule' (MG). This study examined epigallo-catechin-3-gallate (EGCG) binding to ALA in its apo form (apoALA) and stabilizing effect on protein structure thereof. 

EGCG binds to apoALA in both native and MG state. The complex of EGCG and ALA is more stable to thermal denaturation. The docking analysis and molecular dynamic simulation (MDS) showed that Ca2+ removal decreased conformational stability of ALA, because of the local destabilization of Ca2+-binding region. EGCG binding to apoALA increases its stability by reverting of conformation and stability of Ca2+-binding region. Therefore, EGCG-induced thermal stability of apoALA is based on increased apoALA conformational rigidity. This study implies that during gastric digestion of tea with milk EGCG would remain bound to ALA, albeit in the Ca2+-free form.",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study",
volume = "278",
pages = "388-395",
doi = "10.1016/j.foodchem.2018.11.038"
}

Radibratović, M., Al-Hanish, A., Minić, S. L., Radomirović, M. Ž., Milčić, M. K., Stanić-Vučinić, D.,& Ćirković-Veličković, T.. (2019). Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study. in Food Chemistry
Elsevier., 278, 388-395.
https://doi.org/10.1016/j.foodchem.2018.11.038

Radibratović M, Al-Hanish A, Minić SL, Radomirović MŽ, Milčić MK, Stanić-Vučinić D, Ćirković-Veličković T. Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study. in Food Chemistry. 2019;278:388-395.
doi:10.1016/j.foodchem.2018.11.038 .

Radibratović, Milica, Al-Hanish, Ayah, Minić, Simeon L., Radomirović, Mirjana Ž., Milčić, Miloš K., Stanić-Vučinić, Dragana, Ćirković-Veličković, Tanja, "Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study" in Food Chemistry, 278 (2019):388-395,
https://doi.org/10.1016/j.foodchem.2018.11.038 . .

TY  - JOUR
AU  - Krstić, Milena P.
AU  - Petković, Branka B.
AU  - Milčić, Miloš K.
AU  - Mišić, Dušan R.
AU  - Francisco Santibanez, Juan
PY  - 2019
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3689
AB  - Two new nitrato complexes of zinc and nickel with 1,4,8,11-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc), have been synthesized and characterized. The IR spectral peaks showed that the coordinated and ionic nitrate ions are in agreement with the formula proposed by elemental analysis. Conductometric titrations predicted methanol to be a convenient solvent for synthesis and revealed the stoichiometry of the complexes, while molar electrical conductivities indicated a 1 : 3 complex electrolyte type for the zinc complex, and a 1 : 2 complex electrolyte type for the nickel complex. The optimized complex structure was obtained by molecular modeling and density functional theory calculations. The biological activity of the novel complexes was examined by screening eight different bacterial strains and two cancer cell lines. The zinc complex showed better antimicrobial activity against the bacterial strains, while the complexes did not show significance antiproliferative activity toward cancer cells MCF-7 and MDA-MB-231.
PB  - SOC CHEMISTS TECHNOLOGISTS MADECONIA
T2  - Macedonian Journal of Chemistry and Chemical Engineering
T1  - Synthesis, Characterization and Biological Study of New Dinuclear Zinc(ii) and Nickel(ii) Octaaza Macrocyclic Complexes
VL  - 38
IS  - 1
SP  - 1
EP  - 11
DO  - 10.20450/mjcce.2019.1599
ER  - 

@article{
author = "Krstić, Milena P. and Petković, Branka B. and Milčić, Miloš K. and Mišić, Dušan R. and Francisco Santibanez, Juan",
year = "2019",
abstract = "Two new nitrato complexes of zinc and nickel with 1,4,8,11-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc), have been synthesized and characterized. The IR spectral peaks showed that the coordinated and ionic nitrate ions are in agreement with the formula proposed by elemental analysis. Conductometric titrations predicted methanol to be a convenient solvent for synthesis and revealed the stoichiometry of the complexes, while molar electrical conductivities indicated a 1 : 3 complex electrolyte type for the zinc complex, and a 1 : 2 complex electrolyte type for the nickel complex. The optimized complex structure was obtained by molecular modeling and density functional theory calculations. The biological activity of the novel complexes was examined by screening eight different bacterial strains and two cancer cell lines. The zinc complex showed better antimicrobial activity against the bacterial strains, while the complexes did not show significance antiproliferative activity toward cancer cells MCF-7 and MDA-MB-231.",
publisher = "SOC CHEMISTS TECHNOLOGISTS MADECONIA",
journal = "Macedonian Journal of Chemistry and Chemical Engineering",
title = "Synthesis, Characterization and Biological Study of New Dinuclear Zinc(ii) and Nickel(ii) Octaaza Macrocyclic Complexes",
volume = "38",
number = "1",
pages = "1-11",
doi = "10.20450/mjcce.2019.1599"
}

Krstić, M. P., Petković, B. B., Milčić, M. K., Mišić, D. R.,& Francisco Santibanez, J.. (2019). Synthesis, Characterization and Biological Study of New Dinuclear Zinc(ii) and Nickel(ii) Octaaza Macrocyclic Complexes. in Macedonian Journal of Chemistry and Chemical Engineering
SOC CHEMISTS TECHNOLOGISTS MADECONIA., 38(1), 1-11.
https://doi.org/10.20450/mjcce.2019.1599

Krstić MP, Petković BB, Milčić MK, Mišić DR, Francisco Santibanez J. Synthesis, Characterization and Biological Study of New Dinuclear Zinc(ii) and Nickel(ii) Octaaza Macrocyclic Complexes. in Macedonian Journal of Chemistry and Chemical Engineering. 2019;38(1):1-11.
doi:10.20450/mjcce.2019.1599 .

Krstić, Milena P., Petković, Branka B., Milčić, Miloš K., Mišić, Dušan R., Francisco Santibanez, Juan, "Synthesis, Characterization and Biological Study of New Dinuclear Zinc(ii) and Nickel(ii) Octaaza Macrocyclic Complexes" in Macedonian Journal of Chemistry and Chemical Engineering, 38, no. 1 (2019):1-11,
https://doi.org/10.20450/mjcce.2019.1599 . .

TY  - JOUR
AU  - Radibratović, Milica
AU  - Al-Hanish, Ayah
AU  - Minić, Simeon L.
AU  - Radomirović, Mirjana Ž.
AU  - Milčić, Miloš K.
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković-Veličković, Tanja
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4848
AB  - α-Lactalbumin (ALA) is a Ca2+-binding protein which constitutes up to 20% of whey protein. At acidic pH, and in the apo-state at elevated temperatures, ALA is the classic 'molten globule' (MG). This study examined epigallo-catechin-3-gallate (EGCG) binding to ALA in its apo form (apoALA) and stabilizing effect on protein structure thereof. EGCG binds to apoALA in both native and MG state. The complex of EGCG and ALA is more stable to thermal denaturation. The docking analysis and molecular dynamic simulation (MDS) showed that Ca2+ removal decreased conformational stability of ALA, because of the local destabilization of Ca2+-binding region. EGCG binding to apoALA increases its stability by reverting of conformation and stability of Ca2+-binding region. Therefore, EGCG-induced thermal stability of apoALA is based on increased apoALA conformational rigidity. This study implies that during gastric digestion of tea with milk EGCG would remain bound to ALA, albeit in the Ca2+-free form.
PB  - Elsevier
T2  - Food Chemistry
T1  - Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study
VL  - 278
SP  - 388
EP  - 395
DO  - 10.1016/j.foodchem.2018.11.038
ER  - 

@article{
author = "Radibratović, Milica and Al-Hanish, Ayah and Minić, Simeon L. and Radomirović, Mirjana Ž. and Milčić, Miloš K. and Stanić-Vučinić, Dragana and Ćirković-Veličković, Tanja",
year = "2019",
abstract = "α-Lactalbumin (ALA) is a Ca2+-binding protein which constitutes up to 20% of whey protein. At acidic pH, and in the apo-state at elevated temperatures, ALA is the classic 'molten globule' (MG). This study examined epigallo-catechin-3-gallate (EGCG) binding to ALA in its apo form (apoALA) and stabilizing effect on protein structure thereof. EGCG binds to apoALA in both native and MG state. The complex of EGCG and ALA is more stable to thermal denaturation. The docking analysis and molecular dynamic simulation (MDS) showed that Ca2+ removal decreased conformational stability of ALA, because of the local destabilization of Ca2+-binding region. EGCG binding to apoALA increases its stability by reverting of conformation and stability of Ca2+-binding region. Therefore, EGCG-induced thermal stability of apoALA is based on increased apoALA conformational rigidity. This study implies that during gastric digestion of tea with milk EGCG would remain bound to ALA, albeit in the Ca2+-free form.",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study",
volume = "278",
pages = "388-395",
doi = "10.1016/j.foodchem.2018.11.038"
}

Radibratović, M., Al-Hanish, A., Minić, S. L., Radomirović, M. Ž., Milčić, M. K., Stanić-Vučinić, D.,& Ćirković-Veličković, T.. (2019). Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study. in Food Chemistry
Elsevier., 278, 388-395.
https://doi.org/10.1016/j.foodchem.2018.11.038

Radibratović M, Al-Hanish A, Minić SL, Radomirović MŽ, Milčić MK, Stanić-Vučinić D, Ćirković-Veličković T. Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study. in Food Chemistry. 2019;278:388-395.
doi:10.1016/j.foodchem.2018.11.038 .

Radibratović, Milica, Al-Hanish, Ayah, Minić, Simeon L., Radomirović, Mirjana Ž., Milčić, Miloš K., Stanić-Vučinić, Dragana, Ćirković-Veličković, Tanja, "Stabilization of apo alpha-lactalbumin by binding of epigallocatechin-3-gallate: Experimental and molecular dynamics study" in Food Chemistry, 278 (2019):388-395,
https://doi.org/10.1016/j.foodchem.2018.11.038 . .

TY  - DATA
AU  - Radibratović, Milica
AU  - Al-Hanish, Ayah
AU  - Minić, Simeon L.
AU  - Radomirović, Mirjana Ž.
AU  - Milčić, Miloš K.
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković-Veličković, Tanja
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4849
PB  - Elsevier
T2  - Food Chemistry
T1  - Supplementary data for the article: Radibratović, M.; Al-Hanish, A.; Minić, S. L.; Radomirović, M. Ž.; Milčić, M. K.; Stanić-Vučinić, D.; Ćirković-Veličković, T. Stabilization of Apo Alpha-Lactalbumin by Binding of Epigallocatechin-3-Gallate: Experimental and Molecular Dynamics Study. Food Chemistry 2019, 278, 388–395. https://doi.org/10.1016/j.foodchem.2018.11.038.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4849
ER  - 

@misc{
author = "Radibratović, Milica and Al-Hanish, Ayah and Minić, Simeon L. and Radomirović, Mirjana Ž. and Milčić, Miloš K. and Stanić-Vučinić, Dragana and Ćirković-Veličković, Tanja",
year = "2019",
publisher = "Elsevier",
journal = "Food Chemistry",
title = "Supplementary data for the article: Radibratović, M.; Al-Hanish, A.; Minić, S. L.; Radomirović, M. Ž.; Milčić, M. K.; Stanić-Vučinić, D.; Ćirković-Veličković, T. Stabilization of Apo Alpha-Lactalbumin by Binding of Epigallocatechin-3-Gallate: Experimental and Molecular Dynamics Study. Food Chemistry 2019, 278, 388–395. https://doi.org/10.1016/j.foodchem.2018.11.038.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4849"
}

Radibratović, M., Al-Hanish, A., Minić, S. L., Radomirović, M. Ž., Milčić, M. K., Stanić-Vučinić, D.,& Ćirković-Veličković, T.. (2019). Supplementary data for the article: Radibratović, M.; Al-Hanish, A.; Minić, S. L.; Radomirović, M. Ž.; Milčić, M. K.; Stanić-Vučinić, D.; Ćirković-Veličković, T. Stabilization of Apo Alpha-Lactalbumin by Binding of Epigallocatechin-3-Gallate: Experimental and Molecular Dynamics Study. Food Chemistry 2019, 278, 388–395. https://doi.org/10.1016/j.foodchem.2018.11.038.. in Food Chemistry
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4849

Radibratović M, Al-Hanish A, Minić SL, Radomirović MŽ, Milčić MK, Stanić-Vučinić D, Ćirković-Veličković T. Supplementary data for the article: Radibratović, M.; Al-Hanish, A.; Minić, S. L.; Radomirović, M. Ž.; Milčić, M. K.; Stanić-Vučinić, D.; Ćirković-Veličković, T. Stabilization of Apo Alpha-Lactalbumin by Binding of Epigallocatechin-3-Gallate: Experimental and Molecular Dynamics Study. Food Chemistry 2019, 278, 388–395. https://doi.org/10.1016/j.foodchem.2018.11.038.. in Food Chemistry. 2019;.
https://hdl.handle.net/21.15107/rcub_cherry_4849 .

Radibratović, Milica, Al-Hanish, Ayah, Minić, Simeon L., Radomirović, Mirjana Ž., Milčić, Miloš K., Stanić-Vučinić, Dragana, Ćirković-Veličković, Tanja, "Supplementary data for the article: Radibratović, M.; Al-Hanish, A.; Minić, S. L.; Radomirović, M. Ž.; Milčić, M. K.; Stanić-Vučinić, D.; Ćirković-Veličković, T. Stabilization of Apo Alpha-Lactalbumin by Binding of Epigallocatechin-3-Gallate: Experimental and Molecular Dynamics Study. Food Chemistry 2019, 278, 388–395. https://doi.org/10.1016/j.foodchem.2018.11.038." in Food Chemistry (2019),
https://hdl.handle.net/21.15107/rcub_cherry_4849 .

TY  - JOUR
AU  - Suručić, Ljiljana
AU  - Janjić, Goran V.
AU  - Rakić, Aleksandra A.
AU  - Nastasović, Aleksandra B.
AU  - Popović, Aleksandar R.
AU  - Milčić, Miloš K.
AU  - Onjia, Antonije
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5059
AB  - With regard to the harmful effects of heavy metals on human health and the environment, the demand for synthesis and
investigation of macromolecules with large capacity of harmful substances sorption is ever greater. Quantum-chemical methods
may be applied in structural modeling, prediction, and characterization of such molecules and reactions. Sorption of metal ions
(Cu2+, Cd2+, Co2+, and Ni2+) to triethylenetetramine-functionalized copolymer poly(GMA-co-EGDMA)-teta was successfully
modeled by quantumchemical calculations, at the B3LYP//6–311++G**/lanl2dz level. Optimized structures of metal complexes
were used for calculation of real binding energy of metal ion within the complex (ΔEr). Solvent and hydrolyzation effects were
essential for obtaining the objective values. Solvent effect was included inΔEr by using the total solvation energy for reaction of
formation of tetaOH complex (ΔEs1, the first approach) or by using dehydration energy of free metal ion (ΔEs2, the second
approach). Experimental results were confirmed in our theoretical analyses (using the second approach).
PB  - Springer-Verlag GmbH
T2  - Journal of Molecular Modeling
T1  - Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution
VL  - 25
SP  - 177
DO  - 10.1007/s00894-019-4053-0
ER  - 

@article{
author = "Suručić, Ljiljana and Janjić, Goran V. and Rakić, Aleksandra A. and Nastasović, Aleksandra B. and Popović, Aleksandar R. and Milčić, Miloš K. and Onjia, Antonije",
year = "2019",
abstract = "With regard to the harmful effects of heavy metals on human health and the environment, the demand for synthesis and
investigation of macromolecules with large capacity of harmful substances sorption is ever greater. Quantum-chemical methods
may be applied in structural modeling, prediction, and characterization of such molecules and reactions. Sorption of metal ions
(Cu2+, Cd2+, Co2+, and Ni2+) to triethylenetetramine-functionalized copolymer poly(GMA-co-EGDMA)-teta was successfully
modeled by quantumchemical calculations, at the B3LYP//6–311++G**/lanl2dz level. Optimized structures of metal complexes
were used for calculation of real binding energy of metal ion within the complex (ΔEr). Solvent and hydrolyzation effects were
essential for obtaining the objective values. Solvent effect was included inΔEr by using the total solvation energy for reaction of
formation of tetaOH complex (ΔEs1, the first approach) or by using dehydration energy of free metal ion (ΔEs2, the second
approach). Experimental results were confirmed in our theoretical analyses (using the second approach).",
publisher = "Springer-Verlag GmbH",
journal = "Journal of Molecular Modeling",
title = "Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution",
volume = "25",
pages = "177",
doi = "10.1007/s00894-019-4053-0"
}

Suručić, L., Janjić, G. V., Rakić, A. A., Nastasović, A. B., Popović, A. R., Milčić, M. K.,& Onjia, A.. (2019). Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution. in Journal of Molecular Modeling
Springer-Verlag GmbH., 25, 177.
https://doi.org/10.1007/s00894-019-4053-0

Suručić L, Janjić GV, Rakić AA, Nastasović AB, Popović AR, Milčić MK, Onjia A. Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution. in Journal of Molecular Modeling. 2019;25:177.
doi:10.1007/s00894-019-4053-0 .

Suručić, Ljiljana, Janjić, Goran V., Rakić, Aleksandra A., Nastasović, Aleksandra B., Popović, Aleksandar R., Milčić, Miloš K., Onjia, Antonije, "Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution" in Journal of Molecular Modeling, 25 (2019):177,
https://doi.org/10.1007/s00894-019-4053-0 . .