TY  - DATA
AU  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7531
AB  - Crystal data for complex 2.
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Complex 2 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7531
ER  - 

@misc{
author = "Jevtović, Mima and Pevec, Andrej and Turel, Iztok and Radanović, Dušanka and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina and Čobeljić, Božidar",
year = "2023",
abstract = "Crystal data for complex 2.",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Complex 2 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7531"
}

Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K.,& Čobeljić, B.. (2023). Complex 2 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_7531

Jevtović M, Pevec A, Turel I, Radanović D, Milčić M, Gruden M, Zlatar M, Mitić D, Anđelković K, Čobeljić B. Complex 2 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7531 .

Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, Čobeljić, Božidar, "Complex 2 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"" in Inorganic Chemistry Communications (2023),
https://hdl.handle.net/21.15107/rcub_cer_7531 .

TY  - DATA
AU  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7530
AB  - Crystal data for complex 1.
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7530
ER  - 

@misc{
author = "Jevtović, Mima and Pevec, Andrej and Turel, Iztok and Radanović, Dušanka and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina and Čobeljić, Božidar",
year = "2023",
abstract = "Crystal data for complex 1.",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7530"
}

Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K.,& Čobeljić, B.. (2023). Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_7530

Jevtović M, Pevec A, Turel I, Radanović D, Milčić M, Gruden M, Zlatar M, Mitić D, Anđelković K, Čobeljić B. Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7530 .

Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, Čobeljić, Božidar, "Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"" in Inorganic Chemistry Communications (2023),
https://hdl.handle.net/21.15107/rcub_cer_7530 .

TY  - DATA
AU  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6788
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7529
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.
AB  - 1.	Experimental section.
2.	Single crystal X-ray diffraction study.
3.	Computational details.
4.	Additional details
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7529
ER  - 

@misc{
author = "Jevtović, Mima and Pevec, Andrej and Turel, Iztok and Radanović, Dušanka and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina 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., 1.	Experimental section.
2.	Single crystal X-ray diffraction study.
3.	Computational details.
4.	Additional details",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7529"
}

Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K.,& Čobeljić, B.. (2023). Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_7529

Jevtović M, Pevec A, Turel I, Radanović D, Milčić M, Gruden M, Zlatar M, Mitić D, Anđelković K, Čobeljić B. Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7529 .

Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, Čobeljić, Božidar, "Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"" in Inorganic Chemistry Communications (2023),
https://hdl.handle.net/21.15107/rcub_cer_7529 .

TY  - CONF
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6210
AB  - During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-
yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. Unusual spin and magnetic properties of the synthesized octahedral [NiL(N3)3] complex, were further investigated with Density Functional Theory (DFT) methods.
AB  - Tokom sinteze kompleksa nikla(II) sa tridentatnim I−1-(2-okso-2-(2-(1-(piridin-2-il)etiliden)hydrazinil)etil)piridin-1-ijum ligandom (L) došlo je do neočekivane oksidacije Ni(II) u Ni(III), vazdušnim kiseonikom, pri veoma blagim uslovima. Nastali oktaedarski [NiL(N3)3] kompleks pokazuje veoma zanimljive spinske i magnetne osobine, koje su proučavane metodama teorije funkcionala gustine (DFT).
PB  - Belgrade : Serbian Chemical Society / Beograd : Srpsko hemijsko društvo
C3  - Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia
T1  - Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis
T1  - Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza  spinskih stanja
SP  - 112
EP  - 112
UR  - https://hdl.handle.net/21.15107/rcub_cer_6210
ER  - 

@conference{
author = "Milčić, Miloš and Gruden, Maja and Zlatar, Matija",
year = "2023",
abstract = "During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-
yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. Unusual spin and magnetic properties of the synthesized octahedral [NiL(N3)3] complex, were further investigated with Density Functional Theory (DFT) methods., Tokom sinteze kompleksa nikla(II) sa tridentatnim I−1-(2-okso-2-(2-(1-(piridin-2-il)etiliden)hydrazinil)etil)piridin-1-ijum ligandom (L) došlo je do neočekivane oksidacije Ni(II) u Ni(III), vazdušnim kiseonikom, pri veoma blagim uslovima. Nastali oktaedarski [NiL(N3)3] kompleks pokazuje veoma zanimljive spinske i magnetne osobine, koje su proučavane metodama teorije funkcionala gustine (DFT).",
publisher = "Belgrade : Serbian Chemical Society / Beograd : Srpsko hemijsko društvo",
journal = "Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia",
title = "Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis, Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza  spinskih stanja",
pages = "112-112",
url = "https://hdl.handle.net/21.15107/rcub_cer_6210"
}

Milčić, M., Gruden, M.,& Zlatar, M.. (2023). Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis. in Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia
Belgrade : Serbian Chemical Society / Beograd : Srpsko hemijsko društvo., 112-112.
https://hdl.handle.net/21.15107/rcub_cer_6210

Milčić M, Gruden M, Zlatar M. Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis. in Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia. 2023;:112-112.
https://hdl.handle.net/21.15107/rcub_cer_6210 .

Milčić, Miloš, Gruden, Maja, Zlatar, Matija, "Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis" in Kratki izvodi radova, knjiga radova - 59. Savetovanje Srpskog hemijskog društva, 1. i 2. jun 2023. godine, Novi Sad / Book of Abstracts, Proceedings - 59th Meeting of the Serbian Chemical Society, June 1-2, 2023, Novi Sad, Serbia (2023):112-112,
https://hdl.handle.net/21.15107/rcub_cer_6210 .

TY  - CONF
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6230
AB  - During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. Unusual spin and magnetic properties of the synthesized octahedral [NiL(N3)3] complex, were further investigated with Density Functional Theory (DFT) methods.
AB  - Tokom sinteze kompleksa nikla(II) sa tridentatnim I−1-(2-okso-2-(2-(1-(piridin-2-il)etiliden)hydrazinil)etil)piridin-1-ijum ligandom (L) došlo je do neočekivane oksidacije Ni(II) u Ni(III), vazdušnim kiseonikom, pri veoma blagim uslovima. Nastali oktaedarski [NiL(N3)3] kompleks pokazuje veoma zanimljive spinske i magnetne osobine, koje su proučavane metodama teorije funkcionala gustine (DFT).
PB  - TMMagCat project
T1  - Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis
T1  - Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza  spinskih stanja
UR  - https://hdl.handle.net/21.15107/rcub_cer_6230
ER  - 

@conference{
author = "Milčić, Miloš and Gruden, Maja and Zlatar, Matija",
year = "2023",
abstract = "During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. Unusual spin and magnetic properties of the synthesized octahedral [NiL(N3)3] complex, were further investigated with Density Functional Theory (DFT) methods., Tokom sinteze kompleksa nikla(II) sa tridentatnim I−1-(2-okso-2-(2-(1-(piridin-2-il)etiliden)hydrazinil)etil)piridin-1-ijum ligandom (L) došlo je do neočekivane oksidacije Ni(II) u Ni(III), vazdušnim kiseonikom, pri veoma blagim uslovima. Nastali oktaedarski [NiL(N3)3] kompleks pokazuje veoma zanimljive spinske i magnetne osobine, koje su proučavane metodama teorije funkcionala gustine (DFT).",
publisher = "TMMagCat project",
title = "Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis, Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza  spinskih stanja",
url = "https://hdl.handle.net/21.15107/rcub_cer_6230"
}

Milčić, M., Gruden, M.,& Zlatar, M.. (2023). Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis. 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_6230

Milčić M, Gruden M, Zlatar M. Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6230 .

Milčić, Miloš, Gruden, Maja, Zlatar, Matija, "Unexpected Ni(III) complex with hydrazone lignad – spin state  analysis" (2023),
https://hdl.handle.net/21.15107/rcub_cer_6230 .

TY  - JOUR
AU  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6766
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 and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina 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., Gruden, M., Zlatar, M., Mitić, D., Anđelković, 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 M, Gruden M, Zlatar M, Mitić D, Anđelković K, 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, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, 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  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6788
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 and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina 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., Gruden, M., Zlatar, M., Mitić, D., Anđelković, 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 M, Gruden M, Zlatar M, Mitić D, Anđelković K, 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, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, 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  - Šunderić, Miloš
AU  - Gligorijević, Nikola
AU  - Milčić, Miloš
AU  - Minić, Simeon
AU  - Nedić, Olgica
AU  - Nikolić, Milan
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6471
AB  - Under simulated physiological conditions, this study investigates the interaction between nutraceutical phycocyanobilin (PCB) and the universal anti-protease protein human alpha-2-macroglobulin (a2M). Extensive molecular docking analyses on multiple a2M conformations, spectroscopic techniques, and a2M activity assays were utilized to examine the complex formation. The results revealed that for every protein conformation, two high energy binding sites exist: the first, conformationally independent, at the interface region between two monomer chains and the second, conformationally dependent, in the pocket composed of amino acids from four distinct domains (TED, RBD, CUB, and MG2) of the single protein chain. Spectrofluorimetric measurements indicated a moderate affinity between a2M and PCB with a moderately high binding constant of 6.3 x 10^5 M^-1 at 25 °C. The binding of PCB to a2M resulted in minor changes in the secondary structure content of a2M. Furthermore, PCB protected a2M from oxidation and preserved its anti-protease activity in the oxidative environment. These findings suggest that PCB binding could indirectly impact the body’s response to oxidative stress by influencing a2M’s role in controlling enzyme activity during the inflammatory process.
PB  - Taylor & Francis Group
T2  - Journal of Biomolecular Structure and Dynamics
T1  - Phycocyanobilin is a new binding partner of human alpha-2-macroglobulin that protects the protein against oxidative stress
DO  - 10.1080/07391102.2023.2248273
ER  - 

@article{
author = "Šunderić, Miloš and Gligorijević, Nikola and Milčić, Miloš and Minić, Simeon and Nedić, Olgica and Nikolić, Milan",
year = "2023",
abstract = "Under simulated physiological conditions, this study investigates the interaction between nutraceutical phycocyanobilin (PCB) and the universal anti-protease protein human alpha-2-macroglobulin (a2M). Extensive molecular docking analyses on multiple a2M conformations, spectroscopic techniques, and a2M activity assays were utilized to examine the complex formation. The results revealed that for every protein conformation, two high energy binding sites exist: the first, conformationally independent, at the interface region between two monomer chains and the second, conformationally dependent, in the pocket composed of amino acids from four distinct domains (TED, RBD, CUB, and MG2) of the single protein chain. Spectrofluorimetric measurements indicated a moderate affinity between a2M and PCB with a moderately high binding constant of 6.3 x 10^5 M^-1 at 25 °C. The binding of PCB to a2M resulted in minor changes in the secondary structure content of a2M. Furthermore, PCB protected a2M from oxidation and preserved its anti-protease activity in the oxidative environment. These findings suggest that PCB binding could indirectly impact the body’s response to oxidative stress by influencing a2M’s role in controlling enzyme activity during the inflammatory process.",
publisher = "Taylor & Francis Group",
journal = "Journal of Biomolecular Structure and Dynamics",
title = "Phycocyanobilin is a new binding partner of human alpha-2-macroglobulin that protects the protein against oxidative stress",
doi = "10.1080/07391102.2023.2248273"
}

Šunderić, M., Gligorijević, N., Milčić, M., Minić, S., Nedić, O.,& Nikolić, M.. (2023). Phycocyanobilin is a new binding partner of human alpha-2-macroglobulin that protects the protein against oxidative stress. in Journal of Biomolecular Structure and Dynamics
Taylor & Francis Group..
https://doi.org/10.1080/07391102.2023.2248273

Šunderić M, Gligorijević N, Milčić M, Minić S, Nedić O, Nikolić M. Phycocyanobilin is a new binding partner of human alpha-2-macroglobulin that protects the protein against oxidative stress. in Journal of Biomolecular Structure and Dynamics. 2023;.
doi:10.1080/07391102.2023.2248273 .

Šunderić, Miloš, Gligorijević, Nikola, Milčić, Miloš, Minić, Simeon, Nedić, Olgica, Nikolić, Milan, "Phycocyanobilin is a new binding partner of human alpha-2-macroglobulin that protects the protein against oxidative stress" in Journal of Biomolecular Structure and Dynamics (2023),
https://doi.org/10.1080/07391102.2023.2248273 . .

TY  - JOUR
AU  - Zelenović, Nevena
AU  - Kojadinovic, Milica
AU  - Filipović, Lidija
AU  - Vucic, Vesna
AU  - Milčić, Miloš
AU  - Arsić, Aleksndra
AU  - Popović, Milica
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7223
AB  - Backgound/Objectives Urolithins (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. Methods A 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. Results The 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. Conclusion The 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
SP  - 1934578X2311693
DO  - 10.1177/1934578X231169366
ER  - 

@article{
author = "Zelenović, Nevena and Kojadinovic, Milica and Filipović, Lidija and Vucic, Vesna and Milčić, Miloš and Arsić, Aleksndra and Popović, Milica",
year = "2023",
abstract = "Backgound/Objectives Urolithins (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. Methods A 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. Results The 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. Conclusion The 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",
pages = "1934578X2311693",
doi = "10.1177/1934578X231169366"
}

Zelenović, N., Kojadinovic, M., Filipović, L., Vucic, V., Milčić, M., Arsić, A.,& Popović, M.. (2023). Interactions of Different Urolithins With Bovine Serum Albumin. in Natural Product Communications
SAGE Publications., 18(5), 1934578X2311693.
https://doi.org/10.1177/1934578X231169366

Zelenović N, Kojadinovic M, Filipović L, Vucic V, Milčić M, Arsić A, Popović M. Interactions of Different Urolithins With Bovine Serum Albumin. in Natural Product Communications. 2023;18(5):1934578X2311693.
doi:10.1177/1934578X231169366 .

Zelenović, Nevena, Kojadinovic, Milica, Filipović, Lidija, Vucic, Vesna, Milčić, Miloš, Arsić, Aleksndra, Popović, Milica, "Interactions of Different Urolithins With Bovine Serum Albumin" in Natural Product Communications, 18, no. 5 (2023):1934578X2311693,
https://doi.org/10.1177/1934578X231169366 . .

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka
AU  - Jevtović, Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Đorđević, Nataša G.
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5109
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  - Journal of Molecular Structure
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 and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar",
year = "2022",
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 = "Journal of Molecular Structure",
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., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure
Elsevier., 1266, 133509.
https://doi.org/10.1016/j.molstruc.2022.133509

Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure. 2022;1266:133509.
doi:10.1016/j.molstruc.2022.133509 .

Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" in Journal of Molecular Structure, 1266 (2022):133509,
https://doi.org/10.1016/j.molstruc.2022.133509 . .

TY  - DATA
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka
AU  - Jevtović, Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Đorđević, Nataša G.
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5110
AB  - YEJPEM: Space Group: P b c a (61), Cell: a 17.8984(5)Å b 12.1563(3)Å c 18.9956(5)Å, α 90° β 90° γ 90°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2168741: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"
DO  - 10.5517/ccdc.csd.cc2bsrd9
ER  - 

@misc{
author = "Darmanović, Darinka and Radanović, Dušanka and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar",
year = "2022",
abstract = "YEJPEM: Space Group: P b c a (61), Cell: a 17.8984(5)Å b 12.1563(3)Å c 18.9956(5)Å, α 90° β 90° γ 90°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2168741: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"",
doi = "10.5517/ccdc.csd.cc2bsrd9"
}

Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). CCDC 2168741: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc2bsrd9

Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. CCDC 2168741: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". 2022;.
doi:10.5517/ccdc.csd.cc2bsrd9 .

Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "CCDC 2168741: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"" (2022),
https://doi.org/10.5517/ccdc.csd.cc2bsrd9 . .

TY  - DATA
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka
AU  - Jevtović, Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Đorđević, Nataša G.
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5111
AB  - YEJPIQ: Space Group: P 1 (2), Cell: a 7.7052(3)Å b 8.6197(6)Å c 14.6157(8)Å, α 78.908(5)° β 84.048(4)° γ 69.181(5)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2168742: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"
DO  - 10.5517/ccdc.csd.cc2bsrfb
ER  - 

@misc{
author = "Darmanović, Darinka and Radanović, Dušanka and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar",
year = "2022",
abstract = "YEJPIQ: Space Group: P 1 (2), Cell: a 7.7052(3)Å b 8.6197(6)Å c 14.6157(8)Å, α 78.908(5)° β 84.048(4)° γ 69.181(5)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2168742: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"",
doi = "10.5517/ccdc.csd.cc2bsrfb"
}

Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). CCDC 2168742: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc2bsrfb

Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. CCDC 2168742: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". 2022;.
doi:10.5517/ccdc.csd.cc2bsrfb .

Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "CCDC 2168742: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"" (2022),
https://doi.org/10.5517/ccdc.csd.cc2bsrfb . .

TY  - DATA
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka
AU  - Jevtović, Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Đorđević, Nataša G.
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5112
AB  - Selected bond lengths (Å) and angles (°) of complexes 1 and 2. Comparison of Co-Nthiazole, Co-Nimine and Co-Sthiolate bond lengths (Å) in octahedral Co(III)-N4S2 complexes with thiosemicarbazone based ligands. Comparison of Co-Npy, Co-Nimine, Co-Nazide and Co-Oenolate bond lengths (Å) in octahedral Co(III)N4O2–Co(III)N2O(N3)3 complexes with hydrazone and azide ligands.Hydrogen-bond parameters for complex 1.Intermolecular p×××p interaction parameters for complex 2. Hydrogen-bond parameters for complex 2.Crystal packing of 1 showing self-assembled complex cations within a layer parallel with the (001) lattice plane by means of intermolecular N–H×××N and N–H×××S hydrogen bonds and (b) Intermolecular p×××p interactions between thiazole rings.Crystal packing of 2 showing 2D assembly parallel with the (10-1) lattice plane generated by intermolecular p×××p interactions and C–H×××N hydrogen bonds.Cartesian coordinates of all DFT optimized structures
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"
UR  - https://hdl.handle.net/21.15107/rcub_cer_5112
ER  - 

@misc{
author = "Darmanović, Darinka and Radanović, Dušanka and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar",
year = "2022",
abstract = "Selected bond lengths (Å) and angles (°) of complexes 1 and 2. Comparison of Co-Nthiazole, Co-Nimine and Co-Sthiolate bond lengths (Å) in octahedral Co(III)-N4S2 complexes with thiosemicarbazone based ligands. Comparison of Co-Npy, Co-Nimine, Co-Nazide and Co-Oenolate bond lengths (Å) in octahedral Co(III)N4O2–Co(III)N2O(N3)3 complexes with hydrazone and azide ligands.Hydrogen-bond parameters for complex 1.Intermolecular p×××p interaction parameters for complex 2. Hydrogen-bond parameters for complex 2.Crystal packing of 1 showing self-assembled complex cations within a layer parallel with the (001) lattice plane by means of intermolecular N–H×××N and N–H×××S hydrogen bonds and (b) Intermolecular p×××p interactions between thiazole rings.Crystal packing of 2 showing 2D assembly parallel with the (10-1) lattice plane generated by intermolecular p×××p interactions and C–H×××N hydrogen bonds.Cartesian coordinates of all DFT optimized structures",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"",
url = "https://hdl.handle.net/21.15107/rcub_cer_5112"
}

Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". in Journal of Molecular Structure
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_5112

Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". in Journal of Molecular Structure. 2022;.
https://hdl.handle.net/21.15107/rcub_cer_5112 .

Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"" in Journal of Molecular Structure (2022),
https://hdl.handle.net/21.15107/rcub_cer_5112 .

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka
AU  - Jevtović, Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Đorđević, Nataša G.
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5113
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  - Journal of Molecular Structure
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 and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar",
year = "2022",
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 = "Journal of Molecular Structure",
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., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure
Elsevier., 1266, 133509.
https://doi.org/10.1016/j.molstruc.2022.133509

Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure. 2022;1266:133509.
doi:10.1016/j.molstruc.2022.133509 .

Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" in Journal of Molecular Structure, 1266 (2022):133509,
https://doi.org/10.1016/j.molstruc.2022.133509 . .

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
AU  - Anđelković, Katarina
AU  - Milčić, Miloš
AU  - Psomas, George
AU  - Šumar Ristović, Maja
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5257
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
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 and Anđelković, Katarina and Milčić, Miloš and Psomas, George and Šumar Ristović, Maja",
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",
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., Anđelković, K., Milčić, M., Psomas, G.,& Šumar Ristović, M.. (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.
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 I, Anđelković K, Milčić M, Psomas G, Šumar Ristović M. 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.
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, Anđelković, Katarina, Milčić, Miloš, Psomas, George, Šumar Ristović, Maja, "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),
https://doi.org/10.1016/j.jinorgbio.2022.111942 . .

TY  - JOUR
AU  - Perendija, Jovana
AU  - Veličković, Zlate S.
AU  - Dražević, Ljubinka
AU  - Stojiljković, Ivana
AU  - Milčić, Miloš
AU  - Milosavljević, Milutin M.
AU  - Marinković, Aleksandar D.
AU  - Pavlović, Vladimir B.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4830
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  - Belgrade : International Institute for the Science of Sintering (IISS)
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 S. and Dražević, Ljubinka and Stojiljković, Ivana and Milčić, Miloš and Milosavljević, Milutin M. and Marinković, Aleksandar D. 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 = "Belgrade : International Institute for the Science of Sintering (IISS)",
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. S., Dražević, L., Stojiljković, I., Milčić, M., Milosavljević, M. M., Marinković, A. D.,& Pavlović, V. B.. (2021). Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using cell-MG hybrid adsorbent. in Science of Sintering
Belgrade : International Institute for the Science of Sintering (IISS)., 53(3), 355-378.
https://doi.org/10.2298/SOS2103355P

Perendija J, Veličković ZS, Dražević L, Stojiljković I, Milčić M, Milosavljević MM, Marinković AD, 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 S., Dražević, Ljubinka, Stojiljković, Ivana, Milčić, Miloš, Milosavljević, Milutin M., Marinković, Aleksandar D., 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  - Mrđan, Gorana S.
AU  - Vastag, Gyöngyi Gy.
AU  - Škorić, Dušan
AU  - Radanović, Mirjana M.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš
AU  - Stojiljković, Ivana N.
AU  - Marković, Olivera
AU  - Matijević, Borko
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4055
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).
PB  - Springer
T2  - Structural Chemistry
T1  - Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives
DO  - 10.1007/s11224-020-01700-y
ER  - 

@article{
author = "Mrđan, Gorana S. and Vastag, Gyöngyi Gy. and Škorić, Dušan and Radanović, Mirjana M. and Verbić, Tatjana and Milčić, Miloš and Stojiljković, Ivana N. and Marković, Olivera and Matijević, Borko",
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).",
publisher = "Springer",
journal = "Structural Chemistry",
title = "Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives",
doi = "10.1007/s11224-020-01700-y"
}

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

Mrđan GS, Vastag GG, Škorić D, Radanović MM, Verbić T, Milčić M, Stojiljković IN, Marković O, Matijević B. Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives. in Structural Chemistry. 2021;.
doi:10.1007/s11224-020-01700-y .

Mrđan, Gorana S., Vastag, Gyöngyi Gy., Škorić, Dušan, Radanović, Mirjana M., Verbić, Tatjana, Milčić, Miloš, Stojiljković, Ivana N., Marković, Olivera, Matijević, Borko, "Synthesis, physicochemical characterization, and TD–DFT calculations of monothiocarbohydrazone derivatives" in Structural Chemistry (2021),
https://doi.org/10.1007/s11224-020-01700-y . .

TY  - JOUR
AU  - Janjić, Goran
AU  - Jelić, Stefan
AU  - Trišović, Nemanja
AU  - Popović, Dragan
AU  - Đorđević, Ivana
AU  - Milčić, Miloš
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3882
AB  - Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F···F interactions in crystal structures, but also a large number of structures with F···O interactions. Only C–H···F interactions are more numerous than F···F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth and Design
T1  - New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures
VL  - 20
IS  - 5
SP  - 2943
EP  - 2951
DO  - 10.1021/acs.cgd.9b01565
ER  - 

@article{
author = "Janjić, Goran and Jelić, Stefan and Trišović, Nemanja and Popović, Dragan and Đorđević, Ivana and Milčić, Miloš",
year = "2020",
abstract = "Fluorination of compounds causes an increase in the proton-donating ability and a decrease in the proton-accepting capacity of groups in their vicinity. The formation of F···F interactions is followed by the shift of the electron density in the area of F···F contact, which creates a new region with a larger surface area, a higher negative potential, and, hence, a more pronounced accepting ability. The new region also has a greater ability to form multiple (simultaneous) interactions with species from the environment, thus compensating for the reduction of the accepting capacity of the groups in the vicinity. This phenomenon explains not only the abundance of F···F interactions in crystal structures, but also a large number of structures with F···O interactions. Only C–H···F interactions are more numerous than F···F interactions in crystal structures, which indicates a high affinity of fluorinated compounds for nonpolar groups.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth and Design",
title = "New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures",
volume = "20",
number = "5",
pages = "2943-2951",
doi = "10.1021/acs.cgd.9b01565"
}

Janjić, G., Jelić, S., Trišović, N., Popović, D., Đorđević, I.,& Milčić, M.. (2020). New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth and Design
American Chemical Society (ACS)., 20(5), 2943-2951.
https://doi.org/10.1021/acs.cgd.9b01565

Janjić G, Jelić S, Trišović N, Popović D, Đorđević I, Milčić M. New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures. in Crystal Growth and Design. 2020;20(5):2943-2951.
doi:10.1021/acs.cgd.9b01565 .

Janjić, Goran, Jelić, Stefan, Trišović, Nemanja, Popović, Dragan, Đorđević, Ivana, Milčić, Miloš, "New Theoretical Insight into Fluorination and Fluorine–Fluorine Interactions as a Driving Force in Crystal Structures" in Crystal Growth and Design, 20, no. 5 (2020):2943-2951,
https://doi.org/10.1021/acs.cgd.9b01565 . .

TY  - CONF
AU  - Trišović, Nemanja
AU  - Jelić, Stefan
AU  - Popović, Dragan
AU  - Đorđević, Ivana
AU  - Milčić, Miloš
AU  - Janjić, Goran
PY  - 2020
UR  - https://qcrom2020.cs-campus.fr/event/
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4032
AB  - The results of the crystallographic analysis in combination with quantum chemical calculations have
shown that fluorination of organic compounds causes an increase in the proton-donating ability and a
decrease in the proton-accepting capacity of the groups in their neighbourhood1
. The establishment of
F∙∙∙F interactions causes the electron density to shift towards the area of F∙∙∙F contact, thus creating a
new region with a higher negative potential and the more pronounced accepting ability. This new
region has a larger surface area and it is able to form simultaneous interactions with species from the
crystal environment. This compensates the reduction of the accepting capacity of the groups in the
neigbourhood of the interacting F atoms. Taking into account the formation of this new region, not
only the abundance of F∙∙∙F interactions in the crystal structures (the second largest group of
interactions), but also a large number of structures with F∙∙∙O interactions (third largest group of
interactions) can be explained. Only the C–H∙∙∙F interactions are more numerous than F∙∙∙F
interactions, indicating an increased affinity of fluorinated compounds for non-polar groups.
PB  - Commission on Quantum Crystallography of IUCr
C3  - Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020
T1  - Fluorination as a Driving Force in Crystal Structures
SP  - 35
UR  - https://hdl.handle.net/21.15107/rcub_cer_4032
ER  - 

@conference{
author = "Trišović, Nemanja and Jelić, Stefan and Popović, Dragan and Đorđević, Ivana and Milčić, Miloš and Janjić, Goran",
year = "2020",
abstract = "The results of the crystallographic analysis in combination with quantum chemical calculations have
shown that fluorination of organic compounds causes an increase in the proton-donating ability and a
decrease in the proton-accepting capacity of the groups in their neighbourhood1
. The establishment of
F∙∙∙F interactions causes the electron density to shift towards the area of F∙∙∙F contact, thus creating a
new region with a higher negative potential and the more pronounced accepting ability. This new
region has a larger surface area and it is able to form simultaneous interactions with species from the
crystal environment. This compensates the reduction of the accepting capacity of the groups in the
neigbourhood of the interacting F atoms. Taking into account the formation of this new region, not
only the abundance of F∙∙∙F interactions in the crystal structures (the second largest group of
interactions), but also a large number of structures with F∙∙∙O interactions (third largest group of
interactions) can be explained. Only the C–H∙∙∙F interactions are more numerous than F∙∙∙F
interactions, indicating an increased affinity of fluorinated compounds for non-polar groups.",
publisher = "Commission on Quantum Crystallography of IUCr",
journal = "Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020",
title = "Fluorination as a Driving Force in Crystal Structures",
pages = "35",
url = "https://hdl.handle.net/21.15107/rcub_cer_4032"
}

Trišović, N., Jelić, S., Popović, D., Đorđević, I., Milčić, M.,& Janjić, G.. (2020). Fluorination as a Driving Force in Crystal Structures. in Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020
Commission on Quantum Crystallography of IUCr., 35.
https://hdl.handle.net/21.15107/rcub_cer_4032

Trišović N, Jelić S, Popović D, Đorđević I, Milčić M, Janjić G. Fluorination as a Driving Force in Crystal Structures. in Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020. 2020;:35.
https://hdl.handle.net/21.15107/rcub_cer_4032 .

Trišović, Nemanja, Jelić, Stefan, Popović, Dragan, Đorđević, Ivana, Milčić, Miloš, Janjić, Goran, "Fluorination as a Driving Force in Crystal Structures" in Book of Abstracts - Quantum Crystallography Online Meeting 2020, QCrOM2020 (2020):35,
https://hdl.handle.net/21.15107/rcub_cer_4032 .

TY  - JOUR
AU  - Radibratović, Milica
AU  - Al-Hanish, Ayah
AU  - Minić, Simeon
AU  - Radomirović, Mirjana
AU  - Milčić, Miloš
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković Veličković, Tanja
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3212
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 epigallocatechin-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 α-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 and Radomirović, Mirjana and Milčić, Miloš 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 epigallocatechin-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 α-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., Radomirović, M., Milčić, M., Stanić-Vučinić, D.,& Ćirković Veličković, T.. (2019). Stabilization of apo α-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 S, Radomirović M, Milčić M, Stanić-Vučinić D, Ćirković Veličković T. Stabilization of apo α-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, Radomirović, Mirjana, Milčić, Miloš, Stanić-Vučinić, Dragana, Ćirković Veličković, Tanja, "Stabilization of apo α-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  - Suručić, Ljiljana T.
AU  - Janjić, Goran
AU  - Rakić, Aleksandra
AU  - Nastasović, Aleksandra
AU  - Popović, Aleksandar R.
AU  - Milčić, Miloš
AU  - Onjia, Antonije E.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3255
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 quantum chemical 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 in ΔEr 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
T2  - Journal of Molecular Modeling
T1  - Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution
VL  - 25
IS  - 6
SP  - 177
DO  - 10.1007/s00894-019-4053-0
ER  - 

@article{
author = "Suručić, Ljiljana T. and Janjić, Goran and Rakić, Aleksandra and Nastasović, Aleksandra and Popović, Aleksandar R. and Milčić, Miloš and Onjia, Antonije E.",
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 quantum chemical 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 in ΔEr 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",
journal = "Journal of Molecular Modeling",
title = "Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution",
volume = "25",
number = "6",
pages = "177",
doi = "10.1007/s00894-019-4053-0"
}

Suručić, L. T., Janjić, G., Rakić, A., Nastasović, A., Popović, A. R., Milčić, M.,& Onjia, A. E.. (2019). Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution. in Journal of Molecular Modeling
Springer., 25(6), 177.
https://doi.org/10.1007/s00894-019-4053-0

Suručić LT, Janjić G, Rakić A, Nastasović A, Popović AR, Milčić M, Onjia AE. Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution. in Journal of Molecular Modeling. 2019;25(6):177.
doi:10.1007/s00894-019-4053-0 .

Suručić, Ljiljana T., Janjić, Goran, Rakić, Aleksandra, Nastasović, Aleksandra, Popović, Aleksandar R., Milčić, Miloš, Onjia, Antonije E., "Theoretical modeling of sorption of metal ions on amino-functionalized macroporous copolymer in aqueous solution" in Journal of Molecular Modeling, 25, no. 6 (2019):177,
https://doi.org/10.1007/s00894-019-4053-0 . .

TY  - JOUR
AU  - Minić, Simeon
AU  - Radomirović, Mirjana
AU  - Savkovic, Nina
AU  - Radibratović, Milica
AU  - Mihailović, Jelena
AU  - Vasović, Tamara
AU  - Nikolić, Milan
AU  - Milčić, Miloš
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković Veličković, Tanja
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2420
AB  - In this study, we investigated structural aspects of covalent binding of food derived blue pigment phycocyanobilin (PCB) to bovine beta-lactoglobulin (BLG), major whey protein, by spectroscopic, electrophoretic, mass spectrometry and computational methods. At physiological pH (7.2), we found that covalent pigment binding via free cysteine residue is slow (k(a)=0.065 min(-1)), of moderate affinity (K-a=4x10(4) M-1), and stereo-selective. Binding also occurs at a broad pH range and under simulated gastrointestinal conditions. Adduct formation rises with pH, and in concentrated urea (k(a)=0.101 min(-1)). The BLG-PCB adduct has slightly altered secondary and tertiary protein structure, and bound PCB has higher fluorescence and more stretched conformation than free chromophore. Combination of steered molecular dynamic for disulfide exchange, non-covalent and covalent docking, favours Cys119 residue in protein calyx as target for covalent BLG-PCB adduct formation. Our results suggest that this adduct can serve as delivery system of bioactive PCB.
PB  - Elsevier Sci Ltd, Oxford
T2  - Food Chemistry
T1  - Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions
VL  - 269
SP  - 43
EP  - 52
DO  - 10.1016/j.foodchem.2018.06.138
ER  - 

@article{
author = "Minić, Simeon and Radomirović, Mirjana and Savkovic, Nina and Radibratović, Milica and Mihailović, Jelena and Vasović, Tamara and Nikolić, Milan and Milčić, Miloš and Stanić-Vučinić, Dragana and Ćirković Veličković, Tanja",
year = "2018",
abstract = "In this study, we investigated structural aspects of covalent binding of food derived blue pigment phycocyanobilin (PCB) to bovine beta-lactoglobulin (BLG), major whey protein, by spectroscopic, electrophoretic, mass spectrometry and computational methods. At physiological pH (7.2), we found that covalent pigment binding via free cysteine residue is slow (k(a)=0.065 min(-1)), of moderate affinity (K-a=4x10(4) M-1), and stereo-selective. Binding also occurs at a broad pH range and under simulated gastrointestinal conditions. Adduct formation rises with pH, and in concentrated urea (k(a)=0.101 min(-1)). The BLG-PCB adduct has slightly altered secondary and tertiary protein structure, and bound PCB has higher fluorescence and more stretched conformation than free chromophore. Combination of steered molecular dynamic for disulfide exchange, non-covalent and covalent docking, favours Cys119 residue in protein calyx as target for covalent BLG-PCB adduct formation. Our results suggest that this adduct can serve as delivery system of bioactive PCB.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Food Chemistry",
title = "Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions",
volume = "269",
pages = "43-52",
doi = "10.1016/j.foodchem.2018.06.138"
}

Minić, S., Radomirović, M., Savkovic, N., Radibratović, M., Mihailović, J., Vasović, T., Nikolić, M., Milčić, M., Stanić-Vučinić, D.,& Ćirković Veličković, T.. (2018). Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions. in Food Chemistry
Elsevier Sci Ltd, Oxford., 269, 43-52.
https://doi.org/10.1016/j.foodchem.2018.06.138

Minić S, Radomirović M, Savkovic N, Radibratović M, Mihailović J, Vasović T, Nikolić M, Milčić M, Stanić-Vučinić D, Ćirković Veličković T. Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions. in Food Chemistry. 2018;269:43-52.
doi:10.1016/j.foodchem.2018.06.138 .

Minić, Simeon, Radomirović, Mirjana, Savkovic, Nina, Radibratović, Milica, Mihailović, Jelena, Vasović, Tamara, Nikolić, Milan, Milčić, Miloš, Stanić-Vučinić, Dragana, Ćirković Veličković, Tanja, "Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions" in Food Chemistry, 269 (2018):43-52,
https://doi.org/10.1016/j.foodchem.2018.06.138 . .

TY  - JOUR
AU  - Minić, Simeon
AU  - Stanić-Vučinić, Dragana
AU  - Radomirović, Mirjana
AU  - Radibratović, Milica
AU  - Milčić, Miloš
AU  - Nikolić, Milan
AU  - Ćirković Veličković, Tanja
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2478
AB  - Phycocyanobilin (PCB) is a blue tetrapyrrole chromophore of C-phycocyanin, the main protein of the microalga Spirulina, with numerous proven health-related benefits. We examined binding of PCB to bovine serum albumin (BSA) and how it affects protein and ligand stability. Protein fluorescence quenching and microscale thermophoresis demonstrated high-affinity binding (K-a = 2 x 10(6) M-1). Spectroscopic titration with molecular docking analysis revealed two binding sites on BSA, at the inter-domain cleft and at subdomain IB, while CD spectroscopy indicated stereo-selective binding of the P conformer of the pigment to the protein. The PCB protein complex showed increased thermal stability. Although complex formation partly masked the antioxidant properties of PCB and BSA, a mutually protective effect against free radical-induced oxidation was found. BSA could be suitable for delivery of PCB as a food colorant or bioactive component. Our results also highlight subtle differences between PCB binding to bovine vs. human serum albumin.
PB  - Elsevier Sci Ltd, Oxford
T2  - Food Chemistry
T1  - Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin
VL  - 239
SP  - 1090
EP  - 1099
DO  - 10.1016/j.foodchem.2017.07.066
ER  - 

@article{
author = "Minić, Simeon and Stanić-Vučinić, Dragana and Radomirović, Mirjana and Radibratović, Milica and Milčić, Miloš and Nikolić, Milan and Ćirković Veličković, Tanja",
year = "2018",
abstract = "Phycocyanobilin (PCB) is a blue tetrapyrrole chromophore of C-phycocyanin, the main protein of the microalga Spirulina, with numerous proven health-related benefits. We examined binding of PCB to bovine serum albumin (BSA) and how it affects protein and ligand stability. Protein fluorescence quenching and microscale thermophoresis demonstrated high-affinity binding (K-a = 2 x 10(6) M-1). Spectroscopic titration with molecular docking analysis revealed two binding sites on BSA, at the inter-domain cleft and at subdomain IB, while CD spectroscopy indicated stereo-selective binding of the P conformer of the pigment to the protein. The PCB protein complex showed increased thermal stability. Although complex formation partly masked the antioxidant properties of PCB and BSA, a mutually protective effect against free radical-induced oxidation was found. BSA could be suitable for delivery of PCB as a food colorant or bioactive component. Our results also highlight subtle differences between PCB binding to bovine vs. human serum albumin.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Food Chemistry",
title = "Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin",
volume = "239",
pages = "1090-1099",
doi = "10.1016/j.foodchem.2017.07.066"
}

Minić, S., Stanić-Vučinić, D., Radomirović, M., Radibratović, M., Milčić, M., Nikolić, M.,& Ćirković Veličković, T.. (2018). Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin. in Food Chemistry
Elsevier Sci Ltd, Oxford., 239, 1090-1099.
https://doi.org/10.1016/j.foodchem.2017.07.066

Minić S, Stanić-Vučinić D, Radomirović M, Radibratović M, Milčić M, Nikolić M, Ćirković Veličković T. Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin. in Food Chemistry. 2018;239:1090-1099.
doi:10.1016/j.foodchem.2017.07.066 .

Minić, Simeon, Stanić-Vučinić, Dragana, Radomirović, Mirjana, Radibratović, Milica, Milčić, Miloš, Nikolić, Milan, Ćirković Veličković, Tanja, "Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin" in Food Chemistry, 239 (2018):1090-1099,
https://doi.org/10.1016/j.foodchem.2017.07.066 . .

TY  - JOUR
AU  - Minić, Simeon
AU  - Stanić-Vučinić, Dragana
AU  - Radomirović, Mirjana
AU  - Radibratović, Milica
AU  - Milčić, Miloš
AU  - Nikolić, Milan
AU  - Ćirković Veličković, Tanja
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2984
AB  - Phycocyanobilin (PCB) is a blue tetrapyrrole chromophore of C-phycocyanin, the main protein of the microalga Spirulina, with numerous proven health-related benefits. We examined binding of PCB to bovine serum albumin (BSA) and how it affects protein and ligand stability. Protein fluorescence quenching and microscale thermophoresis demonstrated high-affinity binding (K-a = 2 x 10(6) M-1). Spectroscopic titration with molecular docking analysis revealed two binding sites on BSA, at the inter-domain cleft and at subdomain IB, while CD spectroscopy indicated stereo-selective binding of the P conformer of the pigment to the protein. The PCB protein complex showed increased thermal stability. Although complex formation partly masked the antioxidant properties of PCB and BSA, a mutually protective effect against free radical-induced oxidation was found. BSA could be suitable for delivery of PCB as a food colorant or bioactive component. Our results also highlight subtle differences between PCB binding to bovine vs. human serum albumin.
PB  - Elsevier Sci Ltd, Oxford
T2  - Food Chemistry
T1  - Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin
VL  - 239
SP  - 1090
EP  - 1099
DO  - 10.1016/j.foodchem.2017.07.066
ER  - 

@article{
author = "Minić, Simeon and Stanić-Vučinić, Dragana and Radomirović, Mirjana and Radibratović, Milica and Milčić, Miloš and Nikolić, Milan and Ćirković Veličković, Tanja",
year = "2018",
abstract = "Phycocyanobilin (PCB) is a blue tetrapyrrole chromophore of C-phycocyanin, the main protein of the microalga Spirulina, with numerous proven health-related benefits. We examined binding of PCB to bovine serum albumin (BSA) and how it affects protein and ligand stability. Protein fluorescence quenching and microscale thermophoresis demonstrated high-affinity binding (K-a = 2 x 10(6) M-1). Spectroscopic titration with molecular docking analysis revealed two binding sites on BSA, at the inter-domain cleft and at subdomain IB, while CD spectroscopy indicated stereo-selective binding of the P conformer of the pigment to the protein. The PCB protein complex showed increased thermal stability. Although complex formation partly masked the antioxidant properties of PCB and BSA, a mutually protective effect against free radical-induced oxidation was found. BSA could be suitable for delivery of PCB as a food colorant or bioactive component. Our results also highlight subtle differences between PCB binding to bovine vs. human serum albumin.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Food Chemistry",
title = "Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin",
volume = "239",
pages = "1090-1099",
doi = "10.1016/j.foodchem.2017.07.066"
}

Minić, S., Stanić-Vučinić, D., Radomirović, M., Radibratović, M., Milčić, M., Nikolić, M.,& Ćirković Veličković, T.. (2018). Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin. in Food Chemistry
Elsevier Sci Ltd, Oxford., 239, 1090-1099.
https://doi.org/10.1016/j.foodchem.2017.07.066

Minić S, Stanić-Vučinić D, Radomirović M, Radibratović M, Milčić M, Nikolić M, Ćirković Veličković T. Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin. in Food Chemistry. 2018;239:1090-1099.
doi:10.1016/j.foodchem.2017.07.066 .

Minić, Simeon, Stanić-Vučinić, Dragana, Radomirović, Mirjana, Radibratović, Milica, Milčić, Miloš, Nikolić, Milan, Ćirković Veličković, Tanja, "Characterization and effects of binding of food-derived bioactive phycocyanobilin to bovine serum albumin" in Food Chemistry, 239 (2018):1090-1099,
https://doi.org/10.1016/j.foodchem.2017.07.066 . .

TY  - JOUR
AU  - Minić, Simeon
AU  - Radomirović, Mirjana
AU  - Savkovic, Nina
AU  - Radibratović, Milica
AU  - Mihailović, Jelena
AU  - Vasović, Tamara
AU  - Nikolić, Milan
AU  - Milčić, Miloš
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković Veličković, Tanja
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3022
AB  - In this study, we investigated structural aspects of covalent binding of food derived blue pigment phycocyanobilin (PCB) to bovine beta-lactoglobulin (BLG), major whey protein, by spectroscopic, electrophoretic, mass spectrometry and computational methods. At physiological pH (7.2), we found that covalent pigment binding via free cysteine residue is slow (k(a)=0.065 min(-1)), of moderate affinity (K-a=4x10(4) M-1), and stereo-selective. Binding also occurs at a broad pH range and under simulated gastrointestinal conditions. Adduct formation rises with pH, and in concentrated urea (k(a)=0.101 min(-1)). The BLG-PCB adduct has slightly altered secondary and tertiary protein structure, and bound PCB has higher fluorescence and more stretched conformation than free chromophore. Combination of steered molecular dynamic for disulfide exchange, non-covalent and covalent docking, favours Cys119 residue in protein calyx as target for covalent BLG-PCB adduct formation. Our results suggest that this adduct can serve as delivery system of bioactive PCB.
PB  - Elsevier Sci Ltd, Oxford
T2  - Food Chemistry
T1  - Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions
VL  - 269
SP  - 43
EP  - 52
DO  - 10.1016/j.foodchem.2018.06.138
ER  - 

@article{
author = "Minić, Simeon and Radomirović, Mirjana and Savkovic, Nina and Radibratović, Milica and Mihailović, Jelena and Vasović, Tamara and Nikolić, Milan and Milčić, Miloš and Stanić-Vučinić, Dragana and Ćirković Veličković, Tanja",
year = "2018",
abstract = "In this study, we investigated structural aspects of covalent binding of food derived blue pigment phycocyanobilin (PCB) to bovine beta-lactoglobulin (BLG), major whey protein, by spectroscopic, electrophoretic, mass spectrometry and computational methods. At physiological pH (7.2), we found that covalent pigment binding via free cysteine residue is slow (k(a)=0.065 min(-1)), of moderate affinity (K-a=4x10(4) M-1), and stereo-selective. Binding also occurs at a broad pH range and under simulated gastrointestinal conditions. Adduct formation rises with pH, and in concentrated urea (k(a)=0.101 min(-1)). The BLG-PCB adduct has slightly altered secondary and tertiary protein structure, and bound PCB has higher fluorescence and more stretched conformation than free chromophore. Combination of steered molecular dynamic for disulfide exchange, non-covalent and covalent docking, favours Cys119 residue in protein calyx as target for covalent BLG-PCB adduct formation. Our results suggest that this adduct can serve as delivery system of bioactive PCB.",
publisher = "Elsevier Sci Ltd, Oxford",
journal = "Food Chemistry",
title = "Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions",
volume = "269",
pages = "43-52",
doi = "10.1016/j.foodchem.2018.06.138"
}

Minić, S., Radomirović, M., Savkovic, N., Radibratović, M., Mihailović, J., Vasović, T., Nikolić, M., Milčić, M., Stanić-Vučinić, D.,& Ćirković Veličković, T.. (2018). Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions. in Food Chemistry
Elsevier Sci Ltd, Oxford., 269, 43-52.
https://doi.org/10.1016/j.foodchem.2018.06.138

Minić S, Radomirović M, Savkovic N, Radibratović M, Mihailović J, Vasović T, Nikolić M, Milčić M, Stanić-Vučinić D, Ćirković Veličković T. Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions. in Food Chemistry. 2018;269:43-52.
doi:10.1016/j.foodchem.2018.06.138 .

Minić, Simeon, Radomirović, Mirjana, Savkovic, Nina, Radibratović, Milica, Mihailović, Jelena, Vasović, Tamara, Nikolić, Milan, Milčić, Miloš, Stanić-Vučinić, Dragana, Ćirković Veličković, Tanja, "Covalent binding of food-derived blue pigment phycocyanobilin to bovine beta-lactoglobulin under physiological conditions" in Food Chemistry, 269 (2018):43-52,
https://doi.org/10.1016/j.foodchem.2018.06.138 . .