TY  - JOUR
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Swart, Marcel
AU  - Mitić, Dragana
AU  - Milenković, Marina
AU  - Marković, Ivanka
AU  - Jovanović, Maja
AU  - Sladić, Dušan
AU  - Jeremić, Marko
AU  - Anđelković, Katarina K.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1367
AB  - A Schiff base of 3-acetylpyridine with semicarbazide as well as the corresponding tetrahedral Zn(II) complex were synthesized and characterized by X-ray crystal structure analysis and spectroscopic methods. It is interesting to note that the ligand coordinated as a monodentate although there are several donor atoms in it. Computational studies showed that such structure is more stable than the hypothetical structure with one ligand bound as a bidentate. The complex exibited moderate antibacterial, antifungal and cytotoxic activities while the ligand was mostly inactive. The complex strongly induced formation of reactive oxygen species in tumor cell lines. It also influenced cell cycle progression in tumor cell lines, and induced autophagy. The latter effect is, at least in part, a protective one.
PB  - Elsevier Science Sa, Lausanne
T2  - Inorganica Chimica Acta
T1  - Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide
VL  - 404
SP  - 5
EP  - 12
DO  - 10.1016/j.ica.2013.04.017
ER  - 

@article{
author = "Čobeljić, Božidar and Pevec, Andrej and Turel, Iztok and Swart, Marcel and Mitić, Dragana and Milenković, Marina and Marković, Ivanka and Jovanović, Maja and Sladić, Dušan and Jeremić, Marko and Anđelković, Katarina K.",
year = "2013",
abstract = "A Schiff base of 3-acetylpyridine with semicarbazide as well as the corresponding tetrahedral Zn(II) complex were synthesized and characterized by X-ray crystal structure analysis and spectroscopic methods. It is interesting to note that the ligand coordinated as a monodentate although there are several donor atoms in it. Computational studies showed that such structure is more stable than the hypothetical structure with one ligand bound as a bidentate. The complex exibited moderate antibacterial, antifungal and cytotoxic activities while the ligand was mostly inactive. The complex strongly induced formation of reactive oxygen species in tumor cell lines. It also influenced cell cycle progression in tumor cell lines, and induced autophagy. The latter effect is, at least in part, a protective one.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Inorganica Chimica Acta",
title = "Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide",
volume = "404",
pages = "5-12",
doi = "10.1016/j.ica.2013.04.017"
}

Čobeljić, B., Pevec, A., Turel, I., Swart, M., Mitić, D., Milenković, M., Marković, I., Jovanović, M., Sladić, D., Jeremić, M.,& Anđelković, K. K.. (2013). Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide. in Inorganica Chimica Acta
Elsevier Science Sa, Lausanne., 404, 5-12.
https://doi.org/10.1016/j.ica.2013.04.017

Čobeljić B, Pevec A, Turel I, Swart M, Mitić D, Milenković M, Marković I, Jovanović M, Sladić D, Jeremić M, Anđelković KK. Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide. in Inorganica Chimica Acta. 2013;404:5-12.
doi:10.1016/j.ica.2013.04.017 .

Čobeljić, Božidar, Pevec, Andrej, Turel, Iztok, Swart, Marcel, Mitić, Dragana, Milenković, Marina, Marković, Ivanka, Jovanović, Maja, Sladić, Dušan, Jeremić, Marko, Anđelković, Katarina K., "Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide" in Inorganica Chimica Acta, 404 (2013):5-12,
https://doi.org/10.1016/j.ica.2013.04.017 . .

TY  - JOUR
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Swart, Marcel
AU  - Mitić, Dragana
AU  - Milenković, Marina
AU  - Marković, Ivanka
AU  - Jovanović, Maja
AU  - Sladić, Dušan
AU  - Jeremić, Marko
AU  - Anđelković, Katarina K.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3539
AB  - A Schiff base of 3-acetylpyridine with semicarbazide as well as the corresponding tetrahedral Zn(II) complex were synthesized and characterized by X-ray crystal structure analysis and spectroscopic methods. It is interesting to note that the ligand coordinated as a monodentate although there are several donor atoms in it. Computational studies showed that such structure is more stable than the hypothetical structure with one ligand bound as a bidentate. The complex exibited moderate antibacterial, antifungal and cytotoxic activities while the ligand was mostly inactive. The complex strongly induced formation of reactive oxygen species in tumor cell lines. It also influenced cell cycle progression in tumor cell lines, and induced autophagy. The latter effect is, at least in part, a protective one.
PB  - Elsevier Science Sa, Lausanne
T2  - Inorganica Chimica Acta
T1  - Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide
VL  - 404
SP  - 5
EP  - 12
DO  - 10.1016/j.ica.2013.04.017
ER  - 

@article{
author = "Čobeljić, Božidar and Pevec, Andrej and Turel, Iztok and Swart, Marcel and Mitić, Dragana and Milenković, Marina and Marković, Ivanka and Jovanović, Maja and Sladić, Dušan and Jeremić, Marko and Anđelković, Katarina K.",
year = "2013",
abstract = "A Schiff base of 3-acetylpyridine with semicarbazide as well as the corresponding tetrahedral Zn(II) complex were synthesized and characterized by X-ray crystal structure analysis and spectroscopic methods. It is interesting to note that the ligand coordinated as a monodentate although there are several donor atoms in it. Computational studies showed that such structure is more stable than the hypothetical structure with one ligand bound as a bidentate. The complex exibited moderate antibacterial, antifungal and cytotoxic activities while the ligand was mostly inactive. The complex strongly induced formation of reactive oxygen species in tumor cell lines. It also influenced cell cycle progression in tumor cell lines, and induced autophagy. The latter effect is, at least in part, a protective one.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Inorganica Chimica Acta",
title = "Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide",
volume = "404",
pages = "5-12",
doi = "10.1016/j.ica.2013.04.017"
}

Čobeljić, B., Pevec, A., Turel, I., Swart, M., Mitić, D., Milenković, M., Marković, I., Jovanović, M., Sladić, D., Jeremić, M.,& Anđelković, K. K.. (2013). Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide. in Inorganica Chimica Acta
Elsevier Science Sa, Lausanne., 404, 5-12.
https://doi.org/10.1016/j.ica.2013.04.017

Čobeljić B, Pevec A, Turel I, Swart M, Mitić D, Milenković M, Marković I, Jovanović M, Sladić D, Jeremić M, Anđelković KK. Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide. in Inorganica Chimica Acta. 2013;404:5-12.
doi:10.1016/j.ica.2013.04.017 .

Čobeljić, Božidar, Pevec, Andrej, Turel, Iztok, Swart, Marcel, Mitić, Dragana, Milenković, Marina, Marković, Ivanka, Jovanović, Maja, Sladić, Dušan, Jeremić, Marko, Anđelković, Katarina K., "Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide" in Inorganica Chimica Acta, 404 (2013):5-12,
https://doi.org/10.1016/j.ica.2013.04.017 . .

TY  - DATA
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Swart, Marcel
AU  - Mitić, Dragana
AU  - Milenković, Marina
AU  - Marković, Ivanka
AU  - Jovanović, Maja
AU  - Sladić, Dušan
AU  - Jeremić, Marko
AU  - Anđelković, Katarina K.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3540
PB  - Elsevier Science Sa, Lausanne
T2  - Inorganica Chimica Acta
T1  - Supplementary data for article: Čobeljić, B.; Pevec, A.; Turel, I.; Swart, M.; Mitić, D.; Milenković, M.; Marković, I.; Jovanović, M.; Sladić, D.; Jeremić, M.; et al. Synthesis, Characterization, DFT Calculations and Biological Activity of Derivatives of 3-Acetylpyridine and the Zinc(II) Complex with the Condensation Product of 3-Acetylpyridine and Semicarbazide. Inorganica Chimica Acta 2013, 404, 5–12. https://doi.org/10.1016/j.ica.2013.04.017
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3540
ER  - 

@misc{
author = "Čobeljić, Božidar and Pevec, Andrej and Turel, Iztok and Swart, Marcel and Mitić, Dragana and Milenković, Marina and Marković, Ivanka and Jovanović, Maja and Sladić, Dušan and Jeremić, Marko and Anđelković, Katarina K.",
year = "2013",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Inorganica Chimica Acta",
title = "Supplementary data for article: Čobeljić, B.; Pevec, A.; Turel, I.; Swart, M.; Mitić, D.; Milenković, M.; Marković, I.; Jovanović, M.; Sladić, D.; Jeremić, M.; et al. Synthesis, Characterization, DFT Calculations and Biological Activity of Derivatives of 3-Acetylpyridine and the Zinc(II) Complex with the Condensation Product of 3-Acetylpyridine and Semicarbazide. Inorganica Chimica Acta 2013, 404, 5–12. https://doi.org/10.1016/j.ica.2013.04.017",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3540"
}

Čobeljić, B., Pevec, A., Turel, I., Swart, M., Mitić, D., Milenković, M., Marković, I., Jovanović, M., Sladić, D., Jeremić, M.,& Anđelković, K. K.. (2013). Supplementary data for article: Čobeljić, B.; Pevec, A.; Turel, I.; Swart, M.; Mitić, D.; Milenković, M.; Marković, I.; Jovanović, M.; Sladić, D.; Jeremić, M.; et al. Synthesis, Characterization, DFT Calculations and Biological Activity of Derivatives of 3-Acetylpyridine and the Zinc(II) Complex with the Condensation Product of 3-Acetylpyridine and Semicarbazide. Inorganica Chimica Acta 2013, 404, 5–12. https://doi.org/10.1016/j.ica.2013.04.017. in Inorganica Chimica Acta
Elsevier Science Sa, Lausanne..
https://hdl.handle.net/21.15107/rcub_cherry_3540

Čobeljić B, Pevec A, Turel I, Swart M, Mitić D, Milenković M, Marković I, Jovanović M, Sladić D, Jeremić M, Anđelković KK. Supplementary data for article: Čobeljić, B.; Pevec, A.; Turel, I.; Swart, M.; Mitić, D.; Milenković, M.; Marković, I.; Jovanović, M.; Sladić, D.; Jeremić, M.; et al. Synthesis, Characterization, DFT Calculations and Biological Activity of Derivatives of 3-Acetylpyridine and the Zinc(II) Complex with the Condensation Product of 3-Acetylpyridine and Semicarbazide. Inorganica Chimica Acta 2013, 404, 5–12. https://doi.org/10.1016/j.ica.2013.04.017. in Inorganica Chimica Acta. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3540 .

Čobeljić, Božidar, Pevec, Andrej, Turel, Iztok, Swart, Marcel, Mitić, Dragana, Milenković, Marina, Marković, Ivanka, Jovanović, Maja, Sladić, Dušan, Jeremić, Marko, Anđelković, Katarina K., "Supplementary data for article: Čobeljić, B.; Pevec, A.; Turel, I.; Swart, M.; Mitić, D.; Milenković, M.; Marković, I.; Jovanović, M.; Sladić, D.; Jeremić, M.; et al. Synthesis, Characterization, DFT Calculations and Biological Activity of Derivatives of 3-Acetylpyridine and the Zinc(II) Complex with the Condensation Product of 3-Acetylpyridine and Semicarbazide. Inorganica Chimica Acta 2013, 404, 5–12. https://doi.org/10.1016/j.ica.2013.04.017" in Inorganica Chimica Acta (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3540 .

TY  - DATA
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Gueell, Mireia
AU  - Swart, Marcel
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3475
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - Supplementary data for article: Zlatar, M.; Gruden-Pavlović, M.; Gueell, M.; Swart, M. Computational Study of the Spin-State Energies and UV-Vis Spectra of Bis(1,4,7-Triazacyclononane) Complexes of Some First-Row Transition Metal Cations. Physical Chemistry Chemical Physics 2013, 15 (18), 6631–6639. https://doi.org/10.1039/c2cp43735j
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3475
ER  - 

@misc{
author = "Zlatar, Matija and Gruden-Pavlović, Maja and Gueell, Mireia and Swart, Marcel",
year = "2013",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "Supplementary data for article: Zlatar, M.; Gruden-Pavlović, M.; Gueell, M.; Swart, M. Computational Study of the Spin-State Energies and UV-Vis Spectra of Bis(1,4,7-Triazacyclononane) Complexes of Some First-Row Transition Metal Cations. Physical Chemistry Chemical Physics 2013, 15 (18), 6631–6639. https://doi.org/10.1039/c2cp43735j",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3475"
}

Zlatar, M., Gruden-Pavlović, M., Gueell, M.,& Swart, M.. (2013). Supplementary data for article: Zlatar, M.; Gruden-Pavlović, M.; Gueell, M.; Swart, M. Computational Study of the Spin-State Energies and UV-Vis Spectra of Bis(1,4,7-Triazacyclononane) Complexes of Some First-Row Transition Metal Cations. Physical Chemistry Chemical Physics 2013, 15 (18), 6631–6639. https://doi.org/10.1039/c2cp43735j. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3475

Zlatar M, Gruden-Pavlović M, Gueell M, Swart M. Supplementary data for article: Zlatar, M.; Gruden-Pavlović, M.; Gueell, M.; Swart, M. Computational Study of the Spin-State Energies and UV-Vis Spectra of Bis(1,4,7-Triazacyclononane) Complexes of Some First-Row Transition Metal Cations. Physical Chemistry Chemical Physics 2013, 15 (18), 6631–6639. https://doi.org/10.1039/c2cp43735j. in Physical Chemistry Chemical Physics. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3475 .

Zlatar, Matija, Gruden-Pavlović, Maja, Gueell, Mireia, Swart, Marcel, "Supplementary data for article: Zlatar, M.; Gruden-Pavlović, M.; Gueell, M.; Swart, M. Computational Study of the Spin-State Energies and UV-Vis Spectra of Bis(1,4,7-Triazacyclononane) Complexes of Some First-Row Transition Metal Cations. Physical Chemistry Chemical Physics 2013, 15 (18), 6631–6639. https://doi.org/10.1039/c2cp43735j" in Physical Chemistry Chemical Physics (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3475 .

TY  - JOUR
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Gueell, Mireia
AU  - Swart, Marcel
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3474
AB  - We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or SSB-D, except for the high-spin ground-state of the Co(II) complex that was properly described only by SSB-D. The UV-Vis spectra from TD-DFT reproduce in general rather well the experimental spectra, but in cases of the Cr(III) and Co(II) complexes it clearly failed. Better results for the UV-Vis spectra have been obtained by using Ligand Field DFT.
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
VL  - 15
IS  - 18
SP  - 6631
EP  - 6639
DO  - 10.1039/c2cp43735j
ER  - 

@article{
author = "Zlatar, Matija and Gruden-Pavlović, Maja and Gueell, Mireia and Swart, Marcel",
year = "2013",
abstract = "We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or SSB-D, except for the high-spin ground-state of the Co(II) complex that was properly described only by SSB-D. The UV-Vis spectra from TD-DFT reproduce in general rather well the experimental spectra, but in cases of the Cr(III) and Co(II) complexes it clearly failed. Better results for the UV-Vis spectra have been obtained by using Ligand Field DFT.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations",
volume = "15",
number = "18",
pages = "6631-6639",
doi = "10.1039/c2cp43735j"
}

Zlatar, M., Gruden-Pavlović, M., Gueell, M.,& Swart, M.. (2013). Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge., 15(18), 6631-6639.
https://doi.org/10.1039/c2cp43735j

Zlatar M, Gruden-Pavlović M, Gueell M, Swart M. Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations. in Physical Chemistry Chemical Physics. 2013;15(18):6631-6639.
doi:10.1039/c2cp43735j .

Zlatar, Matija, Gruden-Pavlović, Maja, Gueell, Mireia, Swart, Marcel, "Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations" in Physical Chemistry Chemical Physics, 15, no. 18 (2013):6631-6639,
https://doi.org/10.1039/c2cp43735j . .

TY  - JOUR
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Gueell, Mireia
AU  - Swart, Marcel
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1631
AB  - We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or SSB-D, except for the high-spin ground-state of the Co(II) complex that was properly described only by SSB-D. The UV-Vis spectra from TD-DFT reproduce in general rather well the experimental spectra, but in cases of the Cr(III) and Co(II) complexes it clearly failed. Better results for the UV-Vis spectra have been obtained by using Ligand Field DFT.
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
VL  - 15
IS  - 18
SP  - 6631
EP  - 6639
DO  - 10.1039/c2cp43735j
ER  - 

@article{
author = "Zlatar, Matija and Gruden-Pavlović, Maja and Gueell, Mireia and Swart, Marcel",
year = "2013",
abstract = "We report here computed spin-state energies and UV-Vis spectra for several transition metal complexes with a triazacyclononane ligand. Our results show that the spin ground-state is correctly obtained with either OPBE or SSB-D, except for the high-spin ground-state of the Co(II) complex that was properly described only by SSB-D. The UV-Vis spectra from TD-DFT reproduce in general rather well the experimental spectra, but in cases of the Cr(III) and Co(II) complexes it clearly failed. Better results for the UV-Vis spectra have been obtained by using Ligand Field DFT.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations",
volume = "15",
number = "18",
pages = "6631-6639",
doi = "10.1039/c2cp43735j"
}

Zlatar, M., Gruden-Pavlović, M., Gueell, M.,& Swart, M.. (2013). Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge., 15(18), 6631-6639.
https://doi.org/10.1039/c2cp43735j

Zlatar M, Gruden-Pavlović M, Gueell M, Swart M. Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations. in Physical Chemistry Chemical Physics. 2013;15(18):6631-6639.
doi:10.1039/c2cp43735j .

Zlatar, Matija, Gruden-Pavlović, Maja, Gueell, Mireia, Swart, Marcel, "Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations" in Physical Chemistry Chemical Physics, 15, no. 18 (2013):6631-6639,
https://doi.org/10.1039/c2cp43735j . .