TY  - JOUR
AU  - Trmčić, Milena
AU  - Vulović, Bojan
AU  - Zlatar, Matija
AU  - Saičić, Radomir N.
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7041
AB  - Hemiacetals of cyclopropanone can be isolated and stocked, contrary to their highly reactive parent ketone.  However, they are not readily converted to cyclopropanone, which limits their use as its synthetic equivalents.  2,2,2-trifluoroethoxy hemiacetals are expected to be better cyclopropanone surrogates, however, they have  never been prepared, so far. We show that oxyallyl cations with a heteroatom in the -position can be  intercepted with 2,2,2-trifluoroethanol, with formation of cyclopropanone trifluoroethoxy hemiacetals stable  enough to be isolated, purified and characterized. These species can serve as synthetic equivalents of  cyclopropanone under mild conditions.
PB  - ARKAT USA, Inc.
T2  - ARKIVOC - Online Journal of Organic Chemistry
T1  - Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation
VL  - 2024
IS  - 2
DO  - 10.24820/ark.5550190.p012.123
ER  - 

@article{
author = "Trmčić, Milena and Vulović, Bojan and Zlatar, Matija and Saičić, Radomir N.",
year = "2024",
abstract = "Hemiacetals of cyclopropanone can be isolated and stocked, contrary to their highly reactive parent ketone.  However, they are not readily converted to cyclopropanone, which limits their use as its synthetic equivalents.  2,2,2-trifluoroethoxy hemiacetals are expected to be better cyclopropanone surrogates, however, they have  never been prepared, so far. We show that oxyallyl cations with a heteroatom in the -position can be  intercepted with 2,2,2-trifluoroethanol, with formation of cyclopropanone trifluoroethoxy hemiacetals stable  enough to be isolated, purified and characterized. These species can serve as synthetic equivalents of  cyclopropanone under mild conditions.",
publisher = "ARKAT USA, Inc.",
journal = "ARKIVOC - Online Journal of Organic Chemistry",
title = "Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation",
volume = "2024",
number = "2",
doi = "10.24820/ark.5550190.p012.123"
}

Trmčić, M., Vulović, B., Zlatar, M.,& Saičić, R. N.. (2024). Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation. in ARKIVOC - Online Journal of Organic Chemistry
ARKAT USA, Inc.., 2024(2).
https://doi.org/10.24820/ark.5550190.p012.123

Trmčić M, Vulović B, Zlatar M, Saičić RN. Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation. in ARKIVOC - Online Journal of Organic Chemistry. 2024;2024(2).
doi:10.24820/ark.5550190.p012.123 .

Trmčić, Milena, Vulović, Bojan, Zlatar, Matija, Saičić, Radomir N., "Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation" in ARKIVOC - Online Journal of Organic Chemistry, 2024, no. 2 (2024),
https://doi.org/10.24820/ark.5550190.p012.123 . .

TY  - CONF
AU  - Lončarević, Branka
AU  - Gojgić-Cvijović, Gordana
AU  - Lješević, Marija
AU  - Joksimović, Kristina
AU  - Nikolić, Vladimir
AU  - Beškoski, Vladimir
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7144
AB  - In the present study graft copolymer with microbial levan and polystyren was synthesized and its biodegradable potential inliquid and soil medium was investigated.
PB  - Chemical Society of Montenegro
C3  - Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro
T1  - Investigation of biodegradability of levan-polystyrene graft copolymers in liquid and solid medium
SP  - 94
EP  - 94
UR  - https://hdl.handle.net/21.15107/rcub_cer_7144
ER  - 

@conference{
author = "Lončarević, Branka and Gojgić-Cvijović, Gordana and Lješević, Marija and Joksimović, Kristina and Nikolić, Vladimir and Beškoski, Vladimir",
year = "2023",
abstract = "In the present study graft copolymer with microbial levan and polystyren was synthesized and its biodegradable potential inliquid and soil medium was investigated.",
publisher = "Chemical Society of Montenegro",
journal = "Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro",
title = "Investigation of biodegradability of levan-polystyrene graft copolymers in liquid and solid medium",
pages = "94-94",
url = "https://hdl.handle.net/21.15107/rcub_cer_7144"
}

Lončarević, B., Gojgić-Cvijović, G., Lješević, M., Joksimović, K., Nikolić, V.,& Beškoski, V.. (2023). Investigation of biodegradability of levan-polystyrene graft copolymers in liquid and solid medium. in Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro
Chemical Society of Montenegro., 94-94.
https://hdl.handle.net/21.15107/rcub_cer_7144

Lončarević B, Gojgić-Cvijović G, Lješević M, Joksimović K, Nikolić V, Beškoski V. Investigation of biodegradability of levan-polystyrene graft copolymers in liquid and solid medium. in Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro. 2023;:94-94.
https://hdl.handle.net/21.15107/rcub_cer_7144 .

Lončarević, Branka, Gojgić-Cvijović, Gordana, Lješević, Marija, Joksimović, Kristina, Nikolić, Vladimir, Beškoski, Vladimir, "Investigation of biodegradability of levan-polystyrene graft copolymers in liquid and solid medium" in Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro (2023):94-94,
https://hdl.handle.net/21.15107/rcub_cer_7144 .

TY  - CONF
AU  - Lončarević, Branka
AU  - Gojgić-Cvijović, Gordana
AU  - Lješević, Marija
AU  - Joksimović, Kristina
AU  - Nikolić, Vladimir
AU  - Beškoski, Vladimir
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7145
AB  - In the present study graft copolymers combining starch with polystyrene (S-PS) or methacrylic acid 
were (S-MA) were synthesized and its biodegradable potential was investigated.
PB  - Chemical Society of Montenegro
C3  - Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro
T1  - Starch Copolymers with Enhanced Biodegradability
SP  - 95
EP  - 95
UR  - https://hdl.handle.net/21.15107/rcub_cer_7145
ER  - 

@conference{
author = "Lončarević, Branka and Gojgić-Cvijović, Gordana and Lješević, Marija and Joksimović, Kristina and Nikolić, Vladimir and Beškoski, Vladimir",
year = "2023",
abstract = "In the present study graft copolymers combining starch with polystyrene (S-PS) or methacrylic acid 
were (S-MA) were synthesized and its biodegradable potential was investigated.",
publisher = "Chemical Society of Montenegro",
journal = "Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro",
title = "Starch Copolymers with Enhanced Biodegradability",
pages = "95-95",
url = "https://hdl.handle.net/21.15107/rcub_cer_7145"
}

Lončarević, B., Gojgić-Cvijović, G., Lješević, M., Joksimović, K., Nikolić, V.,& Beškoski, V.. (2023). Starch Copolymers with Enhanced Biodegradability. in Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro
Chemical Society of Montenegro., 95-95.
https://hdl.handle.net/21.15107/rcub_cer_7145

Lončarević B, Gojgić-Cvijović G, Lješević M, Joksimović K, Nikolić V, Beškoski V. Starch Copolymers with Enhanced Biodegradability. in Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro. 2023;:95-95.
https://hdl.handle.net/21.15107/rcub_cer_7145 .

Lončarević, Branka, Gojgić-Cvijović, Gordana, Lješević, Marija, Joksimović, Kristina, Nikolić, Vladimir, Beškoski, Vladimir, "Starch Copolymers with Enhanced Biodegradability" in Book of Abstracts - 23rd European Meeting on Environmental Chemistry (EMEC 23), 3-6 December, 2023, Budva, Montenegro (2023):95-95,
https://hdl.handle.net/21.15107/rcub_cer_7145 .

TY  - JOUR
AU  - Fotirić Akšić, Milica
AU  - Tešić, Živoslav
AU  - Kalaba, Milica
AU  - Ćirić, Ivanka
AU  - Pezo, Lato
AU  - Lončar, Biljana
AU  - Gašić, Uroš
AU  - Dojčinović, Biljana
AU  - Tosti, Tomislav
AU  - Meland, Mekjell
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6351
AB  - The aim of this study was to find the chemical parameters for the differentiation of plum cultivars grown along the fjord areas of Western Norway and Eastern Norway, having specific agroclimatic conditions. Chemical analysis of the fruits confirmed the contents of 13 quantified elements, 22 sugar compounds, 11 organic acids, 19 phenolic compounds, and antioxidant activity in 68 plum cultivars. Dominated contents were noted for nitrogen (with the maximum mean value of 3.11%), potassium (8055.80 mg/kg), and phosphorous (7878.88 mg/kg). Averagely, the highest level of sugars was determined for glucose (244.46 g/kg), fructose (197.92 g/kg), sucrose (208.25 g/kg), and sorbitol (98.02 g/kg), organic acids for malic acid (24.06 g/kg), and for polyphenol compounds were 5-O-caffeoylquinic acid (66.31 mg/kg), and rutin (58.06 mg/kg). Applied principal component analysis has been useful for distinguishing the plum cultivars from three areas in Norway where copper, iron, potassium, magnesium, manganese, and sodium; sucrose, ribose, maltose, and raffinose; p-hydroxybenzoic acid, rutin, ferulic acid, kaempferol 7-O-glucoside, p-coumaric acid, and 5-O-caffeoylquinic acid were the most influential. In regard to human health and future breeding work that will have the aim to produce functional food with high health-related compounds, the plum cultivar ‘Mallard’ should be underlined due to the high level of elements, ‘Valor’ due to high sugar content, ‘Helgøyplomme’ due to content of organic acids, and ‘Diamond’ due to the content of phenolic compounds. © 2023 by the authors.
PB  - MDPI
T2  - Horticulturae
T1  - Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway
VL  - 9
IS  - 4
DO  - 10.3390/horticulturae9040477
ER  - 

@article{
author = "Fotirić Akšić, Milica and Tešić, Živoslav and Kalaba, Milica and Ćirić, Ivanka and Pezo, Lato and Lončar, Biljana and Gašić, Uroš and Dojčinović, Biljana and Tosti, Tomislav and Meland, Mekjell",
year = "2023",
abstract = "The aim of this study was to find the chemical parameters for the differentiation of plum cultivars grown along the fjord areas of Western Norway and Eastern Norway, having specific agroclimatic conditions. Chemical analysis of the fruits confirmed the contents of 13 quantified elements, 22 sugar compounds, 11 organic acids, 19 phenolic compounds, and antioxidant activity in 68 plum cultivars. Dominated contents were noted for nitrogen (with the maximum mean value of 3.11%), potassium (8055.80 mg/kg), and phosphorous (7878.88 mg/kg). Averagely, the highest level of sugars was determined for glucose (244.46 g/kg), fructose (197.92 g/kg), sucrose (208.25 g/kg), and sorbitol (98.02 g/kg), organic acids for malic acid (24.06 g/kg), and for polyphenol compounds were 5-O-caffeoylquinic acid (66.31 mg/kg), and rutin (58.06 mg/kg). Applied principal component analysis has been useful for distinguishing the plum cultivars from three areas in Norway where copper, iron, potassium, magnesium, manganese, and sodium; sucrose, ribose, maltose, and raffinose; p-hydroxybenzoic acid, rutin, ferulic acid, kaempferol 7-O-glucoside, p-coumaric acid, and 5-O-caffeoylquinic acid were the most influential. In regard to human health and future breeding work that will have the aim to produce functional food with high health-related compounds, the plum cultivar ‘Mallard’ should be underlined due to the high level of elements, ‘Valor’ due to high sugar content, ‘Helgøyplomme’ due to content of organic acids, and ‘Diamond’ due to the content of phenolic compounds. © 2023 by the authors.",
publisher = "MDPI",
journal = "Horticulturae",
title = "Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway",
volume = "9",
number = "4",
doi = "10.3390/horticulturae9040477"
}

Fotirić Akšić, M., Tešić, Ž., Kalaba, M., Ćirić, I., Pezo, L., Lončar, B., Gašić, U., Dojčinović, B., Tosti, T.,& Meland, M.. (2023). Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway. in Horticulturae
MDPI., 9(4).
https://doi.org/10.3390/horticulturae9040477

Fotirić Akšić M, Tešić Ž, Kalaba M, Ćirić I, Pezo L, Lončar B, Gašić U, Dojčinović B, Tosti T, Meland M. Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway. in Horticulturae. 2023;9(4).
doi:10.3390/horticulturae9040477 .

Fotirić Akšić, Milica, Tešić, Živoslav, Kalaba, Milica, Ćirić, Ivanka, Pezo, Lato, Lončar, Biljana, Gašić, Uroš, Dojčinović, Biljana, Tosti, Tomislav, Meland, Mekjell, "Breakthrough Analysis of Chemical Composition and Applied Chemometrics of European Plum Cultivars Grown in Norway" in Horticulturae, 9, no. 4 (2023),
https://doi.org/10.3390/horticulturae9040477 . .

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  - DATA
AU  - Vitomirov, Teodora
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Novaković, Irena
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Šumar-Ristović, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7528
AB  - The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B.
PB  - Serbian Chemical Society
T1  - Supplementary material to: "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7528
ER  - 

@misc{
author = "Vitomirov, Teodora and Čobeljić, Božidar and Pevec, Andrej and Radanović, Dušanka and Novaković, Irena and Savić, Milica and Anđelković, Katarina and Šumar-Ristović, Maja",
year = "2023",
abstract = "The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B.",
publisher = "Serbian Chemical Society",
title = "Supplementary material to: "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7528"
}

Vitomirov, T., Čobeljić, B., Pevec, A., Radanović, D., Novaković, I., Savić, M., Anđelković, K.,& Šumar-Ristović, M.. (2023). Supplementary material to: "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity". 
Serbian Chemical Society..
https://hdl.handle.net/21.15107/rcub_cer_7528

Vitomirov T, Čobeljić B, Pevec A, Radanović D, Novaković I, Savić M, Anđelković K, Šumar-Ristović M. Supplementary material to: "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity". 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7528 .

Vitomirov, Teodora, Čobeljić, Božidar, Pevec, Andrej, Radanović, Dušanka, Novaković, Irena, Savić, Milica, Anđelković, Katarina, Šumar-Ristović, Maja, "Supplementary material to: "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity"" (2023),
https://hdl.handle.net/21.15107/rcub_cer_7528 .

TY  - JOUR
AU  - Stojičkov, Marko
AU  - Zlatar, Matija
AU  - Mazzeo, Paolo Pio
AU  - Bacchi, Alessia
AU  - Radanović, Dušanka
AU  - Stevanović, Nevena
AU  - Jevtović, Mima
AU  - Novaković, Irena
AU  - Anđelković, Katarina
AU  - Sladić, Dušan
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6041
AB  - Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.
PB  - Elsevier
T2  - Polyhedron
T1  - The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone
VL  - 237
SP  - 116389
DO  - 10.1016/j.poly.2023.116389
ER  - 

@article{
author = "Stojičkov, Marko and Zlatar, Matija and Mazzeo, Paolo Pio and Bacchi, Alessia and Radanović, Dušanka and Stevanović, Nevena and Jevtović, Mima and Novaković, Irena and Anđelković, Katarina and Sladić, Dušan and Čobeljić, Božidar and Gruden, Maja",
year = "2023",
abstract = "Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone",
volume = "237",
pages = "116389",
doi = "10.1016/j.poly.2023.116389"
}

Stojičkov, M., Zlatar, M., Mazzeo, P. P., Bacchi, A., Radanović, D., Stevanović, N., Jevtović, M., Novaković, I., Anđelković, K., Sladić, D., Čobeljić, B.,& Gruden, M.. (2023). The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron
Elsevier., 237, 116389.
https://doi.org/10.1016/j.poly.2023.116389

Stojičkov M, Zlatar M, Mazzeo PP, Bacchi A, Radanović D, Stevanović N, Jevtović M, Novaković I, Anđelković K, Sladić D, Čobeljić B, Gruden M. The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron. 2023;237:116389.
doi:10.1016/j.poly.2023.116389 .

Stojičkov, Marko, Zlatar, Matija, Mazzeo, Paolo Pio, Bacchi, Alessia, Radanović, Dušanka, Stevanović, Nevena, Jevtović, Mima, Novaković, Irena, Anđelković, Katarina, Sladić, Dušan, Čobeljić, Božidar, Gruden, Maja, "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone" in Polyhedron, 237 (2023):116389,
https://doi.org/10.1016/j.poly.2023.116389 . .

TY  - JOUR
AU  - Stojičkov, Marko
AU  - Zlatar, Matija
AU  - Mazzeo, Paolo Pio
AU  - Bacchi, Alessia
AU  - Radanović, Dušanka
AU  - Stevanović, Nevena
AU  - Jevtović, Mima
AU  - Novaković, Irena
AU  - Anđelković, Katarina
AU  - Sladić, Dušan
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6042
AB  - Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.
PB  - Elsevier
T2  - Polyhedron
T1  - The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone
VL  - 237
SP  - 116389
DO  - 10.1016/j.poly.2023.116389
ER  - 

@article{
author = "Stojičkov, Marko and Zlatar, Matija and Mazzeo, Paolo Pio and Bacchi, Alessia and Radanović, Dušanka and Stevanović, Nevena and Jevtović, Mima and Novaković, Irena and Anđelković, Katarina and Sladić, Dušan and Čobeljić, Božidar and Gruden, Maja",
year = "2023",
abstract = "Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone",
volume = "237",
pages = "116389",
doi = "10.1016/j.poly.2023.116389"
}

Stojičkov, M., Zlatar, M., Mazzeo, P. P., Bacchi, A., Radanović, D., Stevanović, N., Jevtović, M., Novaković, I., Anđelković, K., Sladić, D., Čobeljić, B.,& Gruden, M.. (2023). The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron
Elsevier., 237, 116389.
https://doi.org/10.1016/j.poly.2023.116389

Stojičkov M, Zlatar M, Mazzeo PP, Bacchi A, Radanović D, Stevanović N, Jevtović M, Novaković I, Anđelković K, Sladić D, Čobeljić B, Gruden M. The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron. 2023;237:116389.
doi:10.1016/j.poly.2023.116389 .

Stojičkov, Marko, Zlatar, Matija, Mazzeo, Paolo Pio, Bacchi, Alessia, Radanović, Dušanka, Stevanović, Nevena, Jevtović, Mima, Novaković, Irena, Anđelković, Katarina, Sladić, Dušan, Čobeljić, Božidar, Gruden, Maja, "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone" in Polyhedron, 237 (2023):116389,
https://doi.org/10.1016/j.poly.2023.116389 . .

TY  - DATA
AU  - Stojičkov, Marko
AU  - Zlatar, Matija
AU  - Mazzeo, Paolo Pio
AU  - Bacchi, Alessia
AU  - Radanović, Dušanka
AU  - Stevanović, Nevena
AU  - Jevtović, Mima
AU  - Novaković, Irena
AU  - Anđelković, Katarina
AU  - Sladić, Dušan
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6043
AB  - Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.
AB  - Additional crystallographic  and computational results, and the Cartesian coordinates of all DFT  optimized structures
PB  - Elsevier
T2  - Polyhedron
T1  - Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone"
UR  - https://hdl.handle.net/21.15107/rcub_cer_6043
ER  - 

@misc{
author = "Stojičkov, Marko and Zlatar, Matija and Mazzeo, Paolo Pio and Bacchi, Alessia and Radanović, Dušanka and Stevanović, Nevena and Jevtović, Mima and Novaković, Irena and Anđelković, Katarina and Sladić, Dušan and Čobeljić, Božidar and Gruden, Maja",
year = "2023",
abstract = "Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes., Additional crystallographic  and computational results, and the Cartesian coordinates of all DFT  optimized structures",
publisher = "Elsevier",
journal = "Polyhedron",
title = "Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone"",
url = "https://hdl.handle.net/21.15107/rcub_cer_6043"
}

Stojičkov, M., Zlatar, M., Mazzeo, P. P., Bacchi, A., Radanović, D., Stevanović, N., Jevtović, M., Novaković, I., Anđelković, K., Sladić, D., Čobeljić, B.,& Gruden, M.. (2023). Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone". in Polyhedron
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_6043

Stojičkov M, Zlatar M, Mazzeo PP, Bacchi A, Radanović D, Stevanović N, Jevtović M, Novaković I, Anđelković K, Sladić D, Čobeljić B, Gruden M. Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone". in Polyhedron. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6043 .

Stojičkov, Marko, Zlatar, Matija, Mazzeo, Paolo Pio, Bacchi, Alessia, Radanović, Dušanka, Stevanović, Nevena, Jevtović, Mima, Novaković, Irena, Anđelković, Katarina, Sladić, Dušan, Čobeljić, Božidar, Gruden, Maja, "Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone"" in Polyhedron (2023),
https://hdl.handle.net/21.15107/rcub_cer_6043 .

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6570
AB  - Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5
 electronic configuration. However, measured magnetism and analysis of the crystal geometries 
show that these two complexes have a different number of unpaired electrons. We 
rationalized the results by electronic structure calculations based on density functional 
theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.
PB  - Viena, Austria : Institute of Applied Synthetic Chemistry, TU Wien
PB  - ChemIT e.U.
C3  - 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria
T1  - Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone
SP  - PO-133
EP  - PO-133
UR  - https://hdl.handle.net/21.15107/rcub_cer_6570
ER  - 

@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Gruden, Maja and Zlatar, Matija",
year = "2023",
abstract = "Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5
 electronic configuration. However, measured magnetism and analysis of the crystal geometries 
show that these two complexes have a different number of unpaired electrons. We 
rationalized the results by electronic structure calculations based on density functional 
theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.",
publisher = "Viena, Austria : Institute of Applied Synthetic Chemistry, TU Wien, ChemIT e.U.",
journal = "6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria",
title = "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone",
pages = "PO-133-PO-133",
url = "https://hdl.handle.net/21.15107/rcub_cer_6570"
}

Savić, M., Jevtović, M., Čobeljić, B., Gruden, M.,& Zlatar, M.. (2023). Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone. in 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria
Viena, Austria : Institute of Applied Synthetic Chemistry, TU Wien., PO-133-PO-133.
https://hdl.handle.net/21.15107/rcub_cer_6570

Savić M, Jevtović M, Čobeljić B, Gruden M, Zlatar M. Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone. in 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria. 2023;:PO-133-PO-133.
https://hdl.handle.net/21.15107/rcub_cer_6570 .

Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Gruden, Maja, Zlatar, Matija, "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone" in 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria (2023):PO-133-PO-133,
https://hdl.handle.net/21.15107/rcub_cer_6570 .

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6572
AB  - Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5 electronic configuration. However, measured magnetism and analysis of the crystal geometries show that these two complexes have a different number of unpaired electrons. We rationalized the results by electronic structure calculations based on density functional theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.
PB  - TMMagCat Project
T1  - Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"
UR  - https://hdl.handle.net/21.15107/rcub_cer_6572
ER  - 

@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Gruden, Maja and Zlatar, Matija",
year = "2023",
abstract = "Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5 electronic configuration. However, measured magnetism and analysis of the crystal geometries show that these two complexes have a different number of unpaired electrons. We rationalized the results by electronic structure calculations based on density functional theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.",
publisher = "TMMagCat Project",
title = "Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"",
url = "https://hdl.handle.net/21.15107/rcub_cer_6572"
}

Savić, M., Jevtović, M., Čobeljić, B., Gruden, M.,& Zlatar, M.. (2023). Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone". 
TMMagCat Project..
https://hdl.handle.net/21.15107/rcub_cer_6572

Savić M, Jevtović M, Čobeljić B, Gruden M, Zlatar M. Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone". 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6572 .

Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Gruden, Maja, Zlatar, Matija, "Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"" (2023),
https://hdl.handle.net/21.15107/rcub_cer_6572 .

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  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7316
AB  - Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and
astrophysical application", Belgrade, Serbia, 19th – 22nd September 2023.
PB  - TMMagCat project
T1  - Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
UR  - https://hdl.handle.net/21.15107/rcub_cer_7316
ER  - 

@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Anđelković, Katarina and Mitić, Dragana",
year = "2023",
abstract = "Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and
astrophysical application", Belgrade, Serbia, 19th – 22nd September 2023.",
publisher = "TMMagCat project",
title = "Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole",
url = "https://hdl.handle.net/21.15107/rcub_cer_7316"
}

Savić, M., Jevtović, M., Čobeljić, B., Anđelković, K.,& Mitić, D.. (2023). Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_7316

Savić M, Jevtović M, Čobeljić B, Anđelković K, Mitić D. Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7316 .

Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Anđelković, Katarina, Mitić, Dragana, "Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole" (2023),
https://hdl.handle.net/21.15107/rcub_cer_7316 .

TY  - CONF
AU  - Jevtović, Mima
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7318
AB  - Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and аstrophysical applications" , Belgradе, Serbia,19th – 22nd September 2023.
PB  - TMMagCat project
T1  - Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations
UR  - https://hdl.handle.net/21.15107/rcub_cer_7318
ER  - 

@conference{
author = "Jevtović, Mima and Savić, Milica and Anđelković, Katarina and Čobeljić, Božidar and Mitić, Dragana",
year = "2023",
abstract = "Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and аstrophysical applications" , Belgradе, Serbia,19th – 22nd September 2023.",
publisher = "TMMagCat project",
title = "Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations",
url = "https://hdl.handle.net/21.15107/rcub_cer_7318"
}

Jevtović, M., Savić, M., Anđelković, K., Čobeljić, B.,& Mitić, D.. (2023). Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_7318

Jevtović M, Savić M, Anđelković K, Čobeljić B, Mitić D. Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7318 .

Jevtović, Mima, Savić, Milica, Anđelković, Katarina, Čobeljić, Božidar, Mitić, Dragana, "Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations" (2023),
https://hdl.handle.net/21.15107/rcub_cer_7318 .

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7317
AB  - The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained  from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction  of the HL ligand with the metal salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture  results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes  in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two  tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described  as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the  formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L  form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer  arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor  atoms (Fig. 1). Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca.
PB  - COST action CA21101 (COSY)
C3  - Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
T1  - Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
SP  - 51
EP  - 51
UR  - https://hdl.handle.net/21.15107/rcub_cer_7317
ER  - 

@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Anđelković, Katarina and Mitić, Dragana",
year = "2023",
abstract = "The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained  from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction  of the HL ligand with the metal salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture  results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes  in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two  tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described  as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the  formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L  form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer  arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor  atoms (Fig. 1). Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca.",
publisher = "COST action CA21101 (COSY)",
journal = "Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade",
title = "Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole",
pages = "51-51",
url = "https://hdl.handle.net/21.15107/rcub_cer_7317"
}

Savić, M., Jevtović, M., Čobeljić, B., Anđelković, K.,& Mitić, D.. (2023). Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
COST action CA21101 (COSY)., 51-51.
https://hdl.handle.net/21.15107/rcub_cer_7317

Savić M, Jevtović M, Čobeljić B, Anđelković K, Mitić D. Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade. 2023;:51-51.
https://hdl.handle.net/21.15107/rcub_cer_7317 .

Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Anđelković, Katarina, Mitić, Dragana, "Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole" in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade (2023):51-51,
https://hdl.handle.net/21.15107/rcub_cer_7317 .

TY  - CONF
AU  - Jevtović, Mima
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7319
AB  - The ligand (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide (HL1 ) was obtained  from the condensation of 2-acetylthiazole and thiosemicarbazide. Upon reacting HL1 with  Zn(BF4)2·6H2O and NaN3 in a solvent mixture of water/methanol, mononuclear Zn(II) complex  1 with the composition [ZnL1 (N3)2] was obtained. In complex 1, Zn(II) is pentacoordinated with  the thiazole nitrogen, the azomethine nitrogen, and thiolate sulfur atoms from the deprotonated  hydrazone ligand, as well as with two azido ligands. Complex 1 crystallises in the monoclinic  crystal system with space group No.14 (P21/c cell setting). The unit cell of 1 contains four  [ZnL1 (N3)] asymmetric units. In complex 1, the Zn(II) site shows a distorted geometry, almost  midway between the square pyramid and trigonal bipyramid, established on the basis of a  calculated τ5 parameter of 0.46. The hydrazone ligand (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)-pyridine1-ium chloride (HL2 Cl) was obtained from the condensation reaction of 2-acetylpyridine and  Girard's P reagent. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. In complex 2, the Zn(II) ion has fivefold coordination with NNO-set of donor  atoms of L2 and two nitrogen atoms from the azido ligands. The calculated τ5 value of 0.08 for  [ZnL2 (N3)2] indicates that the five-coordination geometry of the Zn(II) ion is slightly distorted  square pyramidal. Evaluation of the catalytic properties of the Zn(II) complexes in the KA2 reaction shows that the  most active compound, when used as a catalyst, is complex 1. It leads to a 92 % isolated yield of  the desired propargylamine product. The catalytic activity results are in full agreement with the  findings of the DFT calculations. Complex 1 shows the highest value of molecular softness and  the lowest value of molecular hardness. This correlation, between experimental and theoretical  results, is excellently visualised in the linear relationship between the isolated yield of the  desired propargylamine product and the calculated molecular softness, S.
PB  - COST action CA21101 (COSY)
C3  - Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
T1  - Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations
SP  - 36
EP  - 36
UR  - https://hdl.handle.net/21.15107/rcub_cer_7319
ER  - 

@conference{
author = "Jevtović, Mima and Savić, Milica and Anđelković, Katarina and Čobeljić, Božidar and Mitić, Dragana",
year = "2023",
abstract = "The ligand (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide (HL1 ) was obtained  from the condensation of 2-acetylthiazole and thiosemicarbazide. Upon reacting HL1 with  Zn(BF4)2·6H2O and NaN3 in a solvent mixture of water/methanol, mononuclear Zn(II) complex  1 with the composition [ZnL1 (N3)2] was obtained. In complex 1, Zn(II) is pentacoordinated with  the thiazole nitrogen, the azomethine nitrogen, and thiolate sulfur atoms from the deprotonated  hydrazone ligand, as well as with two azido ligands. Complex 1 crystallises in the monoclinic  crystal system with space group No.14 (P21/c cell setting). The unit cell of 1 contains four  [ZnL1 (N3)] asymmetric units. In complex 1, the Zn(II) site shows a distorted geometry, almost  midway between the square pyramid and trigonal bipyramid, established on the basis of a  calculated τ5 parameter of 0.46. The hydrazone ligand (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)-pyridine1-ium chloride (HL2 Cl) was obtained from the condensation reaction of 2-acetylpyridine and  Girard's P reagent. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. In complex 2, the Zn(II) ion has fivefold coordination with NNO-set of donor  atoms of L2 and two nitrogen atoms from the azido ligands. The calculated τ5 value of 0.08 for  [ZnL2 (N3)2] indicates that the five-coordination geometry of the Zn(II) ion is slightly distorted  square pyramidal. Evaluation of the catalytic properties of the Zn(II) complexes in the KA2 reaction shows that the  most active compound, when used as a catalyst, is complex 1. It leads to a 92 % isolated yield of  the desired propargylamine product. The catalytic activity results are in full agreement with the  findings of the DFT calculations. Complex 1 shows the highest value of molecular softness and  the lowest value of molecular hardness. This correlation, between experimental and theoretical  results, is excellently visualised in the linear relationship between the isolated yield of the  desired propargylamine product and the calculated molecular softness, S.",
publisher = "COST action CA21101 (COSY)",
journal = "Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade",
title = "Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations",
pages = "36-36",
url = "https://hdl.handle.net/21.15107/rcub_cer_7319"
}

Jevtović, M., Savić, M., Anđelković, K., Čobeljić, B.,& Mitić, D.. (2023). Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
COST action CA21101 (COSY)., 36-36.
https://hdl.handle.net/21.15107/rcub_cer_7319

Jevtović M, Savić M, Anđelković K, Čobeljić B, Mitić D. Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade. 2023;:36-36.
https://hdl.handle.net/21.15107/rcub_cer_7319 .

Jevtović, Mima, Savić, Milica, Anđelković, Katarina, Čobeljić, Božidar, Mitić, Dragana, "Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations" in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade (2023):36-36,
https://hdl.handle.net/21.15107/rcub_cer_7319 .

TY  - CONF
AU  - Stefanović, Marija
AU  - Savić, Aleksa
AU  - Božić, Nataša
AU  - Vujčić, Zoran
AU  - Radosavljević, Jelena
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7345
AB  - Viral exonucleases play role in many processes essential for genome ma intenance,including DNA repair and recombination. Lambda exonuclease (λ -exo), isolated fromlambda bacteriophage, hydrolases double-stranded DNA (dsDNA) in the highly processivemanner in 5’→3’ direction, yielding mononucleotides and single -stranded DNA (ssDNA).This unique enzymatic properties offer several promising biotechnological applications,such as highly sensitive quantification of DNA modifications and single -moleculesequencing. Hence, optimization of the expression conditions is a prerequisite to achievehigh-level production of λ-exo. Here we have tested λ -exo expression in five different E.coli strains under various temperature regimes in order to establish the optimal conditionsfor efficient production of recombinant λ -exo. The N-terminally His -tagged λ-exo wassuccessfully expressed in E.coli BL21(AI), SHuffle T7, C41(DE3) and C43(DE3) strains inLB broth. Collected aliquots were analysed by SDS-PAGE, followed by CBB staining.Relative yield of target protein bands was determined by densitometry in total cell lysate, aswell as in soluble and insoluble cytoplasmatic fractions. We identified E.coli BL21(AI),SHuffle T7 and C41(DE3) as good producers of recombinant λ -exo, and upon scaling up, λ-exo was purified from crude cell lysates by metal affinity chromatography in satisfactoryyield. Our data suggest that densitometric analysis could serve as a powerful low-costscreening platform for improving recombinant protein expression strategies.
PB  - Prirodno-matematički fakultet, Univerzitet u Kragujevcu
C3  - Zbornik apstrakata, VI Simpozijum Srpskog udruženja za proteomiku (SePA) “Razvoj i primena novih metoda proteomike”, 2. jun 2023. godine, Kragujevac
T1  - Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains
SP  - 23
EP  - 23
UR  - https://hdl.handle.net/21.15107/rcub_cer_7345
ER  - 

@conference{
author = "Stefanović, Marija and Savić, Aleksa and Božić, Nataša and Vujčić, Zoran and Radosavljević, Jelena",
year = "2023",
abstract = "Viral exonucleases play role in many processes essential for genome ma intenance,including DNA repair and recombination. Lambda exonuclease (λ -exo), isolated fromlambda bacteriophage, hydrolases double-stranded DNA (dsDNA) in the highly processivemanner in 5’→3’ direction, yielding mononucleotides and single -stranded DNA (ssDNA).This unique enzymatic properties offer several promising biotechnological applications,such as highly sensitive quantification of DNA modifications and single -moleculesequencing. Hence, optimization of the expression conditions is a prerequisite to achievehigh-level production of λ-exo. Here we have tested λ -exo expression in five different E.coli strains under various temperature regimes in order to establish the optimal conditionsfor efficient production of recombinant λ -exo. The N-terminally His -tagged λ-exo wassuccessfully expressed in E.coli BL21(AI), SHuffle T7, C41(DE3) and C43(DE3) strains inLB broth. Collected aliquots were analysed by SDS-PAGE, followed by CBB staining.Relative yield of target protein bands was determined by densitometry in total cell lysate, aswell as in soluble and insoluble cytoplasmatic fractions. We identified E.coli BL21(AI),SHuffle T7 and C41(DE3) as good producers of recombinant λ -exo, and upon scaling up, λ-exo was purified from crude cell lysates by metal affinity chromatography in satisfactoryyield. Our data suggest that densitometric analysis could serve as a powerful low-costscreening platform for improving recombinant protein expression strategies.",
publisher = "Prirodno-matematički fakultet, Univerzitet u Kragujevcu",
journal = "Zbornik apstrakata, VI Simpozijum Srpskog udruženja za proteomiku (SePA) “Razvoj i primena novih metoda proteomike”, 2. jun 2023. godine, Kragujevac",
title = "Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains",
pages = "23-23",
url = "https://hdl.handle.net/21.15107/rcub_cer_7345"
}

Stefanović, M., Savić, A., Božić, N., Vujčić, Z.,& Radosavljević, J.. (2023). Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains. in Zbornik apstrakata, VI Simpozijum Srpskog udruženja za proteomiku (SePA) “Razvoj i primena novih metoda proteomike”, 2. jun 2023. godine, Kragujevac
Prirodno-matematički fakultet, Univerzitet u Kragujevcu., 23-23.
https://hdl.handle.net/21.15107/rcub_cer_7345

Stefanović M, Savić A, Božić N, Vujčić Z, Radosavljević J. Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains. in Zbornik apstrakata, VI Simpozijum Srpskog udruženja za proteomiku (SePA) “Razvoj i primena novih metoda proteomike”, 2. jun 2023. godine, Kragujevac. 2023;:23-23.
https://hdl.handle.net/21.15107/rcub_cer_7345 .

Stefanović, Marija, Savić, Aleksa, Božić, Nataša, Vujčić, Zoran, Radosavljević, Jelena, "Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains" in Zbornik apstrakata, VI Simpozijum Srpskog udruženja za proteomiku (SePA) “Razvoj i primena novih metoda proteomike”, 2. jun 2023. godine, Kragujevac (2023):23-23,
https://hdl.handle.net/21.15107/rcub_cer_7345 .

TY  - CONF
AU  - Stefanović, Marija
AU  - Savić, Aleksa
AU  - Božić, Nataša
AU  - Vujčić, Zoran
AU  - Radosavljević, Jelena
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7346
AB  - Viral exonucleases play role in many processes essential for genome ma intenance,including DNA repair and recombination. Lambda exonuclease (λ -exo), isolated fromlambda bacteriophage, hydrolases double-stranded DNA (dsDNA) in the highly processivemanner in 5’→3’ direction, yielding mononucleotides and single -stranded DNA (ssDNA).This unique enzymatic properties offer several promising biotechnological applications,such as highly sensitive quantification of DNA modifications and single -moleculesequencing. Hence, optimization of the expression conditions is a prerequisite to achievehigh-level production of λ-exo. Here we have tested λ -exo expression in five different E.coli strains under various temperature regimes in order to establish the optimal conditionsfor efficient production of recombinant λ -exo. The N-terminally His -tagged λ-exo wassuccessfully expressed in E.coli BL21(AI), SHuffle T7, C41(DE3) and C43(DE3) strains inLB broth. Collected aliquots were analysed by SDS-PAGE, followed by CBB staining.Relative yield of target protein bands was determined by densitometry in total cell lysate, aswell as in soluble and insoluble cytoplasmatic fractions. We identified E.coli BL21(AI),SHuffle T7 and C41(DE3) as good producers of recombinant λ -exo, and upon scaling up, λ-exo was purified from crude cell lysates by metal affinity chromatography in satisfactoryyield. Our data suggest that densitometric analysis could serve as a powerful low-costscreening platform for improving recombinant protein expression strategies.
PB  - Prirodno-matematički fakultet, Univerzitet u Kragujevcu
T1  - Poster presentation: Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains
UR  - https://hdl.handle.net/21.15107/rcub_cer_7346
ER  - 

@conference{
author = "Stefanović, Marija and Savić, Aleksa and Božić, Nataša and Vujčić, Zoran and Radosavljević, Jelena",
year = "2023",
abstract = "Viral exonucleases play role in many processes essential for genome ma intenance,including DNA repair and recombination. Lambda exonuclease (λ -exo), isolated fromlambda bacteriophage, hydrolases double-stranded DNA (dsDNA) in the highly processivemanner in 5’→3’ direction, yielding mononucleotides and single -stranded DNA (ssDNA).This unique enzymatic properties offer several promising biotechnological applications,such as highly sensitive quantification of DNA modifications and single -moleculesequencing. Hence, optimization of the expression conditions is a prerequisite to achievehigh-level production of λ-exo. Here we have tested λ -exo expression in five different E.coli strains under various temperature regimes in order to establish the optimal conditionsfor efficient production of recombinant λ -exo. The N-terminally His -tagged λ-exo wassuccessfully expressed in E.coli BL21(AI), SHuffle T7, C41(DE3) and C43(DE3) strains inLB broth. Collected aliquots were analysed by SDS-PAGE, followed by CBB staining.Relative yield of target protein bands was determined by densitometry in total cell lysate, aswell as in soluble and insoluble cytoplasmatic fractions. We identified E.coli BL21(AI),SHuffle T7 and C41(DE3) as good producers of recombinant λ -exo, and upon scaling up, λ-exo was purified from crude cell lysates by metal affinity chromatography in satisfactoryyield. Our data suggest that densitometric analysis could serve as a powerful low-costscreening platform for improving recombinant protein expression strategies.",
publisher = "Prirodno-matematički fakultet, Univerzitet u Kragujevcu",
title = "Poster presentation: Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains",
url = "https://hdl.handle.net/21.15107/rcub_cer_7346"
}

Stefanović, M., Savić, A., Božić, N., Vujčić, Z.,& Radosavljević, J.. (2023). Poster presentation: Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains. 
Prirodno-matematički fakultet, Univerzitet u Kragujevcu..
https://hdl.handle.net/21.15107/rcub_cer_7346

Stefanović M, Savić A, Božić N, Vujčić Z, Radosavljević J. Poster presentation: Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7346 .

Stefanović, Marija, Savić, Aleksa, Božić, Nataša, Vujčić, Zoran, Radosavljević, Jelena, "Poster presentation: Electrophoretic assessment of recombinant λ- exonuclease production in different E. coli strains" (2023),
https://hdl.handle.net/21.15107/rcub_cer_7346 .

TY  - CONF
AU  - Veljković, Ivana S.
AU  - Đunović, Aleksandra B.
AU  - Veljković, Dušan
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6654
AB  - Positive values of electrostatic potential on the surface of high-energy molecules are a 
good indicator of the high sensitivity towards detonation. Here, we used Bond Dissociation 
Energy and Molecular Electrostatic Potential calculations to predict the influence of the 
halogen substituents on the detonation properties of selected halogen-containing 
dinitronaphthalenes. Results of ab initio calculations indicated that halogen substituents 
might affect the geometry of the nitro-groups and lead to decreased stability of the weakest 
C-N bonds. Presence of halogen substituents also affects the values of the electrostatic 
potentials in the central regions of the molecular surfaces.
AB  - Pozitivne vrednosti elektrostatičkog potencijala na površini visokoenergetskih molekula su dobar pokazatelj visoke osetljivosti na detonaciju. U ovom radu smo koristili proračune energije disocijacije veze i molekularnog elektrostatičkog potencijala da bismo predvideli uticaj halogenih supstituenata na detonaciona svojstva odabranih dinitronaftalena koji sadrže halogen.
PB  - Belgrade : Serbian Chemical Society
C3  - 59th Meeting of the Serbian Chemical Society, Book of Abstracts, Proceedings, June 1st-2nd, Novi Sad, Serbia / 59. Savetovanje Srpskog hemijskog društva, kratki izvodi radova, knjiga radova, 1-2 jun, Novi Sad
T1  - Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives
T1  - Teorijsko proučavanje uticaja halogenih substituenata na osetljivost policikljičnih nitroaromatičnih eksploziva
SP  - 113
EP  - 113
UR  - https://hdl.handle.net/21.15107/rcub_cer_6654
ER  - 

@conference{
author = "Veljković, Ivana S. and Đunović, Aleksandra B. and Veljković, Dušan",
year = "2023",
abstract = "Positive values of electrostatic potential on the surface of high-energy molecules are a 
good indicator of the high sensitivity towards detonation. Here, we used Bond Dissociation 
Energy and Molecular Electrostatic Potential calculations to predict the influence of the 
halogen substituents on the detonation properties of selected halogen-containing 
dinitronaphthalenes. Results of ab initio calculations indicated that halogen substituents 
might affect the geometry of the nitro-groups and lead to decreased stability of the weakest 
C-N bonds. Presence of halogen substituents also affects the values of the electrostatic 
potentials in the central regions of the molecular surfaces., Pozitivne vrednosti elektrostatičkog potencijala na površini visokoenergetskih molekula su dobar pokazatelj visoke osetljivosti na detonaciju. U ovom radu smo koristili proračune energije disocijacije veze i molekularnog elektrostatičkog potencijala da bismo predvideli uticaj halogenih supstituenata na detonaciona svojstva odabranih dinitronaftalena koji sadrže halogen.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "59th Meeting of the Serbian Chemical Society, Book of Abstracts, Proceedings, June 1st-2nd, Novi Sad, Serbia / 59. Savetovanje Srpskog hemijskog društva, kratki izvodi radova, knjiga radova, 1-2 jun, Novi Sad",
title = "Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives, Teorijsko proučavanje uticaja halogenih substituenata na osetljivost policikljičnih nitroaromatičnih eksploziva",
pages = "113-113",
url = "https://hdl.handle.net/21.15107/rcub_cer_6654"
}

Veljković, I. S., Đunović, A. B.,& Veljković, D.. (2023). Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, Proceedings, June 1st-2nd, Novi Sad, Serbia / 59. Savetovanje Srpskog hemijskog društva, kratki izvodi radova, knjiga radova, 1-2 jun, Novi Sad
Belgrade : Serbian Chemical Society., 113-113.
https://hdl.handle.net/21.15107/rcub_cer_6654

Veljković IS, Đunović AB, Veljković D. Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, Proceedings, June 1st-2nd, Novi Sad, Serbia / 59. Savetovanje Srpskog hemijskog društva, kratki izvodi radova, knjiga radova, 1-2 jun, Novi Sad. 2023;:113-113.
https://hdl.handle.net/21.15107/rcub_cer_6654 .

Veljković, Ivana S., Đunović, Aleksandra B., Veljković, Dušan, "Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives" in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, Proceedings, June 1st-2nd, Novi Sad, Serbia / 59. Savetovanje Srpskog hemijskog društva, kratki izvodi radova, knjiga radova, 1-2 jun, Novi Sad (2023):113-113,
https://hdl.handle.net/21.15107/rcub_cer_6654 .

TY  - JOUR
AU  - Šokarda Slavić, Marinela
AU  - Kojić, Milan
AU  - Margetić, Aleksandra
AU  - Ristović, Marina
AU  - Pavlović, Marija
AU  - Nikolić, Stefan
AU  - Vujčić, Zoran
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6518
AB  - The combination of b-oligosaccharides from enzymatically hydrolysed barley b-glucan has attracted interest
recently due to its positive effects on human health. This study aimed to assess the impact of the
endo-b-1,3-1,4-glucanase enzyme from Bacillus subtilis 168 on improving the nutritional and bioactive
properties of barley b-glucan. A new procedure for the isolation of b-glucan was developed, at a lower
temperature (45 °C), enabling purity from starch contamination, without affecting the yield (6 g b-glucan
from 100 g of barley flour). The endo-b-1,3-1,4-glucanase is cloned into E. coli pQE_Ek enables the high
production and purification (82% yield, 1.8 mg mL
 1 and 440 U mg
 1) of an enzyme identical to the
natural one (25.5 kDa). The enzymatic reaction showed high efficiency of b-glucan degradation by recombinant
enzyme, giving a mixture of products (of which 3-O-b-cellobiosyl-D-glucose and 3-O-b-cellotriosyl-
D-glucose are the most abundant), the reduction of viscosity (17%) and increase in antioxidant capacities
by 15.2%, 30.9% and 44.0% assessed by ABTS, DPPH and ORAC, respectively. These results indicate
the possible application of endo-b-1,3-1,4-glucanase enzyme in improving the properties of barley bglucan
used as functional foods.
PB  - Wiley
T2  - International Journal of Food Science and Technology
T1  - Improvement of nutritional and bioactive properties of barley β-glucan-based food products using Bacillus subtilis 168 endo-β-1,3-1,4-glucanase
DO  - 10.1111/ijfs.16647
ER  - 

@article{
author = "Šokarda Slavić, Marinela and Kojić, Milan and Margetić, Aleksandra and Ristović, Marina and Pavlović, Marija and Nikolić, Stefan and Vujčić, Zoran",
year = "2023",
abstract = "The combination of b-oligosaccharides from enzymatically hydrolysed barley b-glucan has attracted interest
recently due to its positive effects on human health. This study aimed to assess the impact of the
endo-b-1,3-1,4-glucanase enzyme from Bacillus subtilis 168 on improving the nutritional and bioactive
properties of barley b-glucan. A new procedure for the isolation of b-glucan was developed, at a lower
temperature (45 °C), enabling purity from starch contamination, without affecting the yield (6 g b-glucan
from 100 g of barley flour). The endo-b-1,3-1,4-glucanase is cloned into E. coli pQE_Ek enables the high
production and purification (82% yield, 1.8 mg mL
 1 and 440 U mg
 1) of an enzyme identical to the
natural one (25.5 kDa). The enzymatic reaction showed high efficiency of b-glucan degradation by recombinant
enzyme, giving a mixture of products (of which 3-O-b-cellobiosyl-D-glucose and 3-O-b-cellotriosyl-
D-glucose are the most abundant), the reduction of viscosity (17%) and increase in antioxidant capacities
by 15.2%, 30.9% and 44.0% assessed by ABTS, DPPH and ORAC, respectively. These results indicate
the possible application of endo-b-1,3-1,4-glucanase enzyme in improving the properties of barley bglucan
used as functional foods.",
publisher = "Wiley",
journal = "International Journal of Food Science and Technology",
title = "Improvement of nutritional and bioactive properties of barley β-glucan-based food products using Bacillus subtilis 168 endo-β-1,3-1,4-glucanase",
doi = "10.1111/ijfs.16647"
}

Šokarda Slavić, M., Kojić, M., Margetić, A., Ristović, M., Pavlović, M., Nikolić, S.,& Vujčić, Z.. (2023). Improvement of nutritional and bioactive properties of barley β-glucan-based food products using Bacillus subtilis 168 endo-β-1,3-1,4-glucanase. in International Journal of Food Science and Technology
Wiley..
https://doi.org/10.1111/ijfs.16647

Šokarda Slavić M, Kojić M, Margetić A, Ristović M, Pavlović M, Nikolić S, Vujčić Z. Improvement of nutritional and bioactive properties of barley β-glucan-based food products using Bacillus subtilis 168 endo-β-1,3-1,4-glucanase. in International Journal of Food Science and Technology. 2023;.
doi:10.1111/ijfs.16647 .

Šokarda Slavić, Marinela, Kojić, Milan, Margetić, Aleksandra, Ristović, Marina, Pavlović, Marija, Nikolić, Stefan, Vujčić, Zoran, "Improvement of nutritional and bioactive properties of barley β-glucan-based food products using Bacillus subtilis 168 endo-β-1,3-1,4-glucanase" in International Journal of Food Science and Technology (2023),
https://doi.org/10.1111/ijfs.16647 . .

TY  - CONF
AU  - Šuljagić, Marija
AU  - Anđelković, Ljubica
AU  - Jeremić, Dejan
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6675
AB  - The cobalt oxide (Co3O4) is a very attractive material for optoelectronic applications due to the intense absorption of visible light and p-type semiconducting properties. On the other hand, conventional synthesis methods for its preparation could be either time- and energy-consuming or relying on toxic chemicals. To address this issue, spinel Co3O4 nanoparticles were prepared by a simple, facile, and eco-friendly method of synthesis. Such method is based on the thermal decomposition of hexaaquacobalt(II) D-camphor10-sulfonate at 900 °C. This synthesis route avoids the use of toxic organic solvents which overcomes the disadvantages of many combustion methods. In order to assess the potential use of synthesized powder, the characterization methods were performed in detail. The purity and semiconducting properties of the Co3O4 were confirmed by UV/Vis spectroscopy which indicated the presence of two band gaps (2.10 eV and 1.22 eV). A noteworthy improvement in the electron transfer kinetics with the addition of the prepared sample to the carbon-paste electrode led to an enhanced electrocatalytic performance. Such remarkable functional properties are suitable for a wide range of technological applications, open the way for the implementation of this preparation procedure for the synthesis of Co3O4 on a larger industrial scale.
PB  - Skopje: Society of the chemists and technologists of Macedonia
C3  - Book of abstracts, 26th Congress of the Society of Chemists and Technologists of Macedonia, September 20-23, 2023, Ohrid, Macedonia
T1  - Semiconducting Co3O4 Nanocatalyst Prepared by Eco-Friendly Thermal Decomposition
SP  - 26
EP  - 26
UR  - https://hdl.handle.net/21.15107/rcub_cer_6675
ER  - 

@conference{
author = "Šuljagić, Marija and Anđelković, Ljubica and Jeremić, Dejan",
year = "2023",
abstract = "The cobalt oxide (Co3O4) is a very attractive material for optoelectronic applications due to the intense absorption of visible light and p-type semiconducting properties. On the other hand, conventional synthesis methods for its preparation could be either time- and energy-consuming or relying on toxic chemicals. To address this issue, spinel Co3O4 nanoparticles were prepared by a simple, facile, and eco-friendly method of synthesis. Such method is based on the thermal decomposition of hexaaquacobalt(II) D-camphor10-sulfonate at 900 °C. This synthesis route avoids the use of toxic organic solvents which overcomes the disadvantages of many combustion methods. In order to assess the potential use of synthesized powder, the characterization methods were performed in detail. The purity and semiconducting properties of the Co3O4 were confirmed by UV/Vis spectroscopy which indicated the presence of two band gaps (2.10 eV and 1.22 eV). A noteworthy improvement in the electron transfer kinetics with the addition of the prepared sample to the carbon-paste electrode led to an enhanced electrocatalytic performance. Such remarkable functional properties are suitable for a wide range of technological applications, open the way for the implementation of this preparation procedure for the synthesis of Co3O4 on a larger industrial scale.",
publisher = "Skopje: Society of the chemists and technologists of Macedonia",
journal = "Book of abstracts, 26th Congress of the Society of Chemists and Technologists of Macedonia, September 20-23, 2023, Ohrid, Macedonia",
title = "Semiconducting Co3O4 Nanocatalyst Prepared by Eco-Friendly Thermal Decomposition",
pages = "26-26",
url = "https://hdl.handle.net/21.15107/rcub_cer_6675"
}

Šuljagić, M., Anđelković, L.,& Jeremić, D.. (2023). Semiconducting Co3O4 Nanocatalyst Prepared by Eco-Friendly Thermal Decomposition. in Book of abstracts, 26th Congress of the Society of Chemists and Technologists of Macedonia, September 20-23, 2023, Ohrid, Macedonia
Skopje: Society of the chemists and technologists of Macedonia., 26-26.
https://hdl.handle.net/21.15107/rcub_cer_6675

Šuljagić M, Anđelković L, Jeremić D. Semiconducting Co3O4 Nanocatalyst Prepared by Eco-Friendly Thermal Decomposition. in Book of abstracts, 26th Congress of the Society of Chemists and Technologists of Macedonia, September 20-23, 2023, Ohrid, Macedonia. 2023;:26-26.
https://hdl.handle.net/21.15107/rcub_cer_6675 .

Šuljagić, Marija, Anđelković, Ljubica, Jeremić, Dejan, "Semiconducting Co3O4 Nanocatalyst Prepared by Eco-Friendly Thermal Decomposition" in Book of abstracts, 26th Congress of the Society of Chemists and Technologists of Macedonia, September 20-23, 2023, Ohrid, Macedonia (2023):26-26,
https://hdl.handle.net/21.15107/rcub_cer_6675 .

TY  - JOUR
AU  - Vitomirov, Teodora
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Novaković, Irena
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Šumar-Ristović, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7320
AB  - The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B.
AB  - Кондензациони производ 7-ацетил-6-азаиндола и Жираровог Т реагенса (лиганд HL) коришћен је  као    лиганд у  реакцији са Cu(BF4)2·6H2O и NaN3.  Реакција је  довела до формирања бинуклеарног Cu(II)комплекса који садржи два азидна моста у „end-to-end“ (di-mu-1,3-N3) моду, као и два NNO-донорска хидразонска лиганда који заједно формирају аксијално издужену квадратно-пирамидалну геометрију око   сваког централног металног јона. Овај „end-to-end“ (di-mu-1,3-N3) азидни мост се до сада није појављивао у структурама бакар(II) комплекса који садрже NNO-донорске хидразонске лиганде, што чини структуру комплекса још   интересантнијом за  будућа испитивања. Овај    комплекс је  окарактерисан елементалном анализом, ИЦ   спектроскопијом и  рендгенском структурном анализом и пронађено је  да   кристалише у  триклиничној просторној групи P–1 са   асиметричном јединицом која се састоји из једног Cu(II)центра, цвитер-јонског лиганда (L), једног азидног лиганда (N3−) и BF4−контра-јона. Испитивање антимикробне активности комплекса показало је вишу антифунгалну активност, као и вишу антибактеријску активност према Грам-позитивним бактеријама, у односу на сам хидразонски лиганд, док је антифунгална активност комплекса чак упоредива са активношћу амфотерицина Б који је коришћен као стандард.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity
T1  - Динуклеарни хидразонски комплекс Cu(II) са азидним мостом: синтеза, карактеризација и евалуација биолошке активности.
VL  - 88
IS  - 9
SP  - 877
EP  - 888
DO  - 10.2298/JSC230623044V
ER  - 

@article{
author = "Vitomirov, Teodora and Čobeljić, Božidar and Pevec, Andrej and Radanović, Dušanka and Novaković, Irena and Savić, Milica and Anđelković, Katarina and Šumar-Ristović, Maja",
year = "2023",
abstract = "The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B., Кондензациони производ 7-ацетил-6-азаиндола и Жираровог Т реагенса (лиганд HL) коришћен је  као    лиганд у  реакцији са Cu(BF4)2·6H2O и NaN3.  Реакција је  довела до формирања бинуклеарног Cu(II)комплекса који садржи два азидна моста у „end-to-end“ (di-mu-1,3-N3) моду, као и два NNO-донорска хидразонска лиганда који заједно формирају аксијално издужену квадратно-пирамидалну геометрију око   сваког централног металног јона. Овај „end-to-end“ (di-mu-1,3-N3) азидни мост се до сада није појављивао у структурама бакар(II) комплекса који садрже NNO-донорске хидразонске лиганде, што чини структуру комплекса још   интересантнијом за  будућа испитивања. Овај    комплекс је  окарактерисан елементалном анализом, ИЦ   спектроскопијом и  рендгенском структурном анализом и пронађено је  да   кристалише у  триклиничној просторној групи P–1 са   асиметричном јединицом која се састоји из једног Cu(II)центра, цвитер-јонског лиганда (L), једног азидног лиганда (N3−) и BF4−контра-јона. Испитивање антимикробне активности комплекса показало је вишу антифунгалну активност, као и вишу антибактеријску активност према Грам-позитивним бактеријама, у односу на сам хидразонски лиганд, док је антифунгална активност комплекса чак упоредива са активношћу амфотерицина Б који је коришћен као стандард.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity, Динуклеарни хидразонски комплекс Cu(II) са азидним мостом: синтеза, карактеризација и евалуација биолошке активности.",
volume = "88",
number = "9",
pages = "877-888",
doi = "10.2298/JSC230623044V"
}

Vitomirov, T., Čobeljić, B., Pevec, A., Radanović, D., Novaković, I., Savić, M., Anđelković, K.,& Šumar-Ristović, M.. (2023). Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 88(9), 877-888.
https://doi.org/10.2298/JSC230623044V

Vitomirov T, Čobeljić B, Pevec A, Radanović D, Novaković I, Savić M, Anđelković K, Šumar-Ristović M. Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity. in Journal of the Serbian Chemical Society. 2023;88(9):877-888.
doi:10.2298/JSC230623044V .

Vitomirov, Teodora, Čobeljić, Božidar, Pevec, Andrej, Radanović, Dušanka, Novaković, Irena, Savić, Milica, Anđelković, Katarina, Šumar-Ristović, Maja, "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity" in Journal of the Serbian Chemical Society, 88, no. 9 (2023):877-888,
https://doi.org/10.2298/JSC230623044V . .