Turel, Iztok

Link to this page

Authority KeyName Variants
orcid::0000-0001-6776-4062
  • Turel, Iztok (67)
Projects
Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM)
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200168 (University of Belgrade, Faculty of Chemistry) TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes
Slovenian Research Agency [P-0175] Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200288 (Innovation Center of the Faculty of Chemistry)
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200042 (University of Belgrade, Institute of Molecular Genetics and Genetic Engineering) Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200122 (University of Kragujevac, Faculty of Science)
Slovenian Research Agency (P1-0175) Serbian Academy of Sciences and Arts (project No. F128)
Slovenian Research Agency (grant P1-0175) COST Action ECOSTBio (Explicit Control Over Spin-States in Technology and Biochemistry) including a STSM grant [CM1305, COST-STSM-CM1305-25068]
Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200023 (Institute of Technology of Nuclear and Other Mineral Row Materials - ITNMS, Belgrade)
Slovenian Research Agency (ARRS), grant number P1-0175 Slovenian Research Agency (P-0175 and P2-0348)
SFedU [213.01-07-2014/03PChVG] Slovenian Research Agency (ARRS) [P-0175]
Slovenian Research Agency (P-0175) Slovenian Research Agency [P1-0175]
COST Action CA15106 (C-H Activation in Organic Synthesis –CHAOS) HEAL-Link
Hellenic Foundation for Research and Innovation (H.F.R.I.) under the “1st Call for H.F.R.I. Research Projects to support Faculty Members & Researchers and the procurement of high-cost research equipment grant” (Project Number: 16) ICREA
Pharmacodynamic and pharmacogenomic research of new drugs in the treatment of solid tumors Slovenian Research Agency (ARRS), grant number P1-0175.
Slovenian Research Agency (P1-0112) Slovenian Research Agency (P2-0348)
Southern Federal University COST Action

Author's Bibliography

Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion

Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj.; Lazić, Jelena; Skaro Bogojevic, Sanja; Vojnović, Sandra; Zlatar, Matija; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(Royal Society of Chemistry (RSC), 2024)

TY  - JOUR
AU  - Stanković, Mia
AU  - Kljun, Jakob
AU  - Stevanović, Nevena Lj.
AU  - Lazić, Jelena
AU  - Skaro Bogojevic, Sanja
AU  - Vojnović, Sandra
AU  - Zlatar, Matija
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7296
AB  - Inspired by the emergence of resistance to currently available antifungal therapy and by the great potential of metal complexes for the treatment of various diseases, we synthesized three new silver(I) complexes containing clinically used antifungal azoles as ligands, [Ag(ecz)2]SbF6 (1, ecz is econazole), {[Ag(vcz)2]SbF6}n (2, vcz is voriconazole), and [Ag(ctz)2]SbF6 (3, ctz is clotrimazole), and investigated their antimicrobial properties. The synthesized complexes were characterized by mass spectrometry, IR, UV-vis and 1H NMR spectroscopy, cyclic voltammetry, and single-crystal X-ray diffraction analysis. In the mononuclear complexes 1 and 3 with ecz and ctz, respectively, the silver(I) ion has the expected linear geometry, in which the azoles are monodentately coordinated to this metal center through the N3 imidazole nitrogen atom. In contrast, the vcz-containing complex 2 has a polymeric structure in the solid state in which the silver(I) ions are coordinated by four nitrogen atoms in a distorted tetrahedral geometry. DFT calculations were done to predict the most favorable structures of the studied complexes in DMSO solution. All the studied silver(I) complexes have shown excellent antifungal and good to moderate antibacterial activities with minimal inhibitory concentration (MIC) values in the ranges of 0.01–27.1 and 2.61–47.9 μM on the selected panel of fungi and bacteria, respectively. Importantly, the complexes 1–3 have exhibited a significantly improved antifungal activity compared to the free azoles, with the most pronounced effect observed in the case of complex 2 compared to the parent vcz against Candida glabrata with an increase of activity by five orders of magnitude. Moreover, the silver(I)-azole complexes 2 and 3 significantly inhibited the formation of C. albicans hyphae and biofilms at the subinhibitory concentration of 50% MIC. To investigate the impact of the complex 3 more thoroughly on Candida pathogenesis, its effect on the adherence of C. albicans to A549 cells (human adenocarcinoma alveolar basal epithelial cells), as an initial step of the invasion of host cells, was studied.
PB  - Royal Society of Chemistry (RSC)
T2  - Dalton Transactions
T1  - Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion
VL  - 53
SP  - 2218
EP  - 2230
DO  - 10.1039/D3DT03010E
ER  - 
@article{
author = "Stanković, Mia and Kljun, Jakob and Stevanović, Nevena Lj. and Lazić, Jelena and Skaro Bogojevic, Sanja and Vojnović, Sandra and Zlatar, Matija and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2024",
abstract = "Inspired by the emergence of resistance to currently available antifungal therapy and by the great potential of metal complexes for the treatment of various diseases, we synthesized three new silver(I) complexes containing clinically used antifungal azoles as ligands, [Ag(ecz)2]SbF6 (1, ecz is econazole), {[Ag(vcz)2]SbF6}n (2, vcz is voriconazole), and [Ag(ctz)2]SbF6 (3, ctz is clotrimazole), and investigated their antimicrobial properties. The synthesized complexes were characterized by mass spectrometry, IR, UV-vis and 1H NMR spectroscopy, cyclic voltammetry, and single-crystal X-ray diffraction analysis. In the mononuclear complexes 1 and 3 with ecz and ctz, respectively, the silver(I) ion has the expected linear geometry, in which the azoles are monodentately coordinated to this metal center through the N3 imidazole nitrogen atom. In contrast, the vcz-containing complex 2 has a polymeric structure in the solid state in which the silver(I) ions are coordinated by four nitrogen atoms in a distorted tetrahedral geometry. DFT calculations were done to predict the most favorable structures of the studied complexes in DMSO solution. All the studied silver(I) complexes have shown excellent antifungal and good to moderate antibacterial activities with minimal inhibitory concentration (MIC) values in the ranges of 0.01–27.1 and 2.61–47.9 μM on the selected panel of fungi and bacteria, respectively. Importantly, the complexes 1–3 have exhibited a significantly improved antifungal activity compared to the free azoles, with the most pronounced effect observed in the case of complex 2 compared to the parent vcz against Candida glabrata with an increase of activity by five orders of magnitude. Moreover, the silver(I)-azole complexes 2 and 3 significantly inhibited the formation of C. albicans hyphae and biofilms at the subinhibitory concentration of 50% MIC. To investigate the impact of the complex 3 more thoroughly on Candida pathogenesis, its effect on the adherence of C. albicans to A549 cells (human adenocarcinoma alveolar basal epithelial cells), as an initial step of the invasion of host cells, was studied.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "Dalton Transactions",
title = "Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion",
volume = "53",
pages = "2218-2230",
doi = "10.1039/D3DT03010E"
}
Stanković, M., Kljun, J., Stevanović, N. Lj., Lazić, J., Skaro Bogojevic, S., Vojnović, S., Zlatar, M., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2024). Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion. in Dalton Transactions
Royal Society of Chemistry (RSC)., 53, 2218-2230.
https://doi.org/10.1039/D3DT03010E
Stanković M, Kljun J, Stevanović NL, Lazić J, Skaro Bogojevic S, Vojnović S, Zlatar M, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion. in Dalton Transactions. 2024;53:2218-2230.
doi:10.1039/D3DT03010E .
Stanković, Mia, Kljun, Jakob, Stevanović, Nevena Lj., Lazić, Jelena, Skaro Bogojevic, Sanja, Vojnović, Sandra, Zlatar, Matija, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion" in Dalton Transactions, 53 (2024):2218-2230,
https://doi.org/10.1039/D3DT03010E . .
4
1

Complex 2 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"

Jevtović, Mima; Pevec, Andrej; Turel, Iztok; Radanović, Dušanka; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Mitić, Dragana; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2023)

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 .

Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"

Jevtović, Mima; Pevec, Andrej; Turel, Iztok; Radanović, Dušanka; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Mitić, Dragana; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2023)

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 .

Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"

Jevtović, Mima; Pevec, Andrej; Turel, Iztok; Radanović, Dušanka; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Mitić, Dragana; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2023)

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 .

Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"

Adejumo, Temiloluwa T.; Danopoulou, Marianna; Zorba, Leandros P.; Pevec, Andrej; Zlatar, Matija; Radanović, Dušanka; Savić, Milica; Gruden, Maja; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar; Vougioukalakis, Georgios C.

(Wiley, 2023)

TY  - DATA
AU  - Adejumo, Temiloluwa T.
AU  - Danopoulou, Marianna
AU  - Zorba, Leandros P.
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Radanović, Dušanka
AU  - Savić, Milica
AU  - Gruden, Maja
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Vougioukalakis, Georgios C.
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7527
AB  - Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.
AB  - The structural parameters, the selected bond lengths and angles and the raw data of the IR and NMR spectra for complexes 3 and 4 and their corresponding ligands. Additional computational results. Cartesian coordinates of all DFT optimized structures.
PB  - Wiley
T2  - European Journal of Inorganic Chemistry
T1  - Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"
DO  - 10.1002/ejic.202300193
ER  - 
@misc{
author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.",
year = "2023",
abstract = "Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity., The structural parameters, the selected bond lengths and angles and the raw data of the IR and NMR spectra for complexes 3 and 4 and their corresponding ligands. Additional computational results. Cartesian coordinates of all DFT optimized structures.",
publisher = "Wiley",
journal = "European Journal of Inorganic Chemistry",
title = "Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"",
doi = "10.1002/ejic.202300193"
}
Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes". in European Journal of Inorganic Chemistry
Wiley..
https://doi.org/10.1002/ejic.202300193
Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković K, Turel I, Čobeljić B, Vougioukalakis GC. Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes". in European Journal of Inorganic Chemistry. 2023;.
doi:10.1002/ejic.202300193 .
Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"" in European Journal of Inorganic Chemistry (2023),
https://doi.org/10.1002/ejic.202300193 . .
3
1

Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes

Adejumo, Temiloluwa T.; Danopoulou, Marianna; Zorba, Leandros P.; Pevec, Andrej; Zlatar, Matija; Radanović, Dušanka; Savić, Milica; Gruden, Maja; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar; Vougioukalakis, Georgios C.

(Wiley, 2023)

TY  - JOUR
AU  - Adejumo, Temiloluwa T.
AU  - Danopoulou, Marianna
AU  - Zorba, Leandros P.
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Radanović, Dušanka
AU  - Savić, Milica
AU  - Gruden, Maja
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Vougioukalakis, Georgios C.
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6545
AB  - Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.
PB  - Wiley
T2  - European Journal of Inorganic Chemistry
T1  - Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes
VL  - 26
IS  - 33
SP  - e202300193
DO  - 10.1002/ejic.202300193
ER  - 
@article{
author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.",
year = "2023",
abstract = "Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.",
publisher = "Wiley",
journal = "European Journal of Inorganic Chemistry",
title = "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes",
volume = "26",
number = "33",
pages = "e202300193",
doi = "10.1002/ejic.202300193"
}
Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry
Wiley., 26(33), e202300193.
https://doi.org/10.1002/ejic.202300193
Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković K, Turel I, Čobeljić B, Vougioukalakis GC. Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry. 2023;26(33):e202300193.
doi:10.1002/ejic.202300193 .
Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193,
https://doi.org/10.1002/ejic.202300193 . .
3
1
1

Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey

Jevtović, Mima; Pevec, Andrej; Turel, Iztok; Radanović, Dušanka; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Mitić, Dragana; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2023)

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 . .

Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey

Jevtović, Mima; Pevec, Andrej; Turel, Iztok; Radanović, Dušanka; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Mitić, Dragana; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2023)

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 . .

Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes

Adejumo, Temiloluwa T.; Danopoulou, Marianna; Zorba, Leandros P.; Pevec, Andrej; Zlatar, Matija; Radanović, Dušanka; Savić, Milica; Gruden, Maja; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar; Vougioukalakis, Georgios C.

(Wiley, 2023)

TY  - JOUR
AU  - Adejumo, Temiloluwa T.
AU  - Danopoulou, Marianna
AU  - Zorba, Leandros P.
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Radanović, Dušanka
AU  - Savić, Milica
AU  - Gruden, Maja
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Vougioukalakis, Georgios C.
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7293
AB  - Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.
PB  - Wiley
T2  - European Journal of Inorganic Chemistry
T1  - Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes
VL  - 26
IS  - 33
SP  - e202300193
DO  - 10.1002/ejic.202300193
ER  - 
@article{
author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.",
year = "2023",
abstract = "Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.",
publisher = "Wiley",
journal = "European Journal of Inorganic Chemistry",
title = "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes",
volume = "26",
number = "33",
pages = "e202300193",
doi = "10.1002/ejic.202300193"
}
Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry
Wiley., 26(33), e202300193.
https://doi.org/10.1002/ejic.202300193
Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković K, Turel I, Čobeljić B, Vougioukalakis GC. Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry. 2023;26(33):e202300193.
doi:10.1002/ejic.202300193 .
Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193,
https://doi.org/10.1002/ejic.202300193 . .
3
1
1

Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex

Andrejević, Tina P.; Aleksić, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnović, Sandra; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(Royal Society of Chemistry (RSC), 2023)

TY  - JOUR
AU  - Andrejević, Tina P.
AU  - Aleksić, Ivana
AU  - Kljun, Jakob
AU  - Počkaj, Marta
AU  - Zlatar, Matija
AU  - Vojnović, Sandra
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5654
AB  - Dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz) was used as a ligand for the synthesis of new copper(II) and silver(I) complexes, [CuCl2(py-2pz)]2 (1), [Cu(CF3SO3)(H2O)(py-2pz)2]CF3SO3·2H2O (2), [Ag(py-2pz)2]PF6 (3) and {[Ag(NO3)(py-2pz)]·0.5H2O}n (4). The complexes were characterized by spectroscopic and electrochemical methods, while their structures were determined by single crystal X-ray diffraction analysis. The X-ray analysis revealed the bidentate coordination mode of py-2pz to the corresponding metal ion via its pyridine and pyrazine nitrogen atoms in all complexes, while in polynuclear complex 4, the heterocyclic pyrazine ring of one py-2pz additionally behaves as a bridging ligand between two Ag(I) ions. DFT calculations were performed to elucidate the structures of the investigated complexes in solution. The antimicrobial potential of the complexes 1–4 was evaluated against two bacterial (Pseudomonas aeruginosa and Staphylococcus aureus) and two Candida (C. albicans and C. parapsilosis) species. Silver(I) complexes 3 and 4 have shown good antibacterial and antifungal properties with minimal inhibitory concentration (MIC) values ranging from 4.9 to 39.0 μM (3.9–31.2 μg mL−1). All complexes inhibited the filamentation of C. albicans and hyphae formation, while silver(I) complexes 3 and 4 had also the ability to inhibit the biofilm formation process of this fungus. The binding affinity of the complexes 1–4 with calf thymus DNA (ct-DNA) and bovine serum albumin (BSA) was studied by fluorescence emission spectroscopy to clarify the mode of their antimicrobial activity. Catechol oxidase biomimetic catalytic activity of copper(II) complexes 1 and 2 was additionally investigated by using 3,5-di-tert-butylcatechol (3,5-DTBC) and o-aminophenol (OAP) as substrates.
PB  - Royal Society of Chemistry (RSC)
T2  - RSC Advances
T1  - Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex
VL  - 13
IS  - 7
SP  - 4376
EP  - 4393
DO  - 10.1039/D2RA07401J
ER  - 
@article{
author = "Andrejević, Tina P. and Aleksić, Ivana and Kljun, Jakob and Počkaj, Marta and Zlatar, Matija and Vojnović, Sandra and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2023",
abstract = "Dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz) was used as a ligand for the synthesis of new copper(II) and silver(I) complexes, [CuCl2(py-2pz)]2 (1), [Cu(CF3SO3)(H2O)(py-2pz)2]CF3SO3·2H2O (2), [Ag(py-2pz)2]PF6 (3) and {[Ag(NO3)(py-2pz)]·0.5H2O}n (4). The complexes were characterized by spectroscopic and electrochemical methods, while their structures were determined by single crystal X-ray diffraction analysis. The X-ray analysis revealed the bidentate coordination mode of py-2pz to the corresponding metal ion via its pyridine and pyrazine nitrogen atoms in all complexes, while in polynuclear complex 4, the heterocyclic pyrazine ring of one py-2pz additionally behaves as a bridging ligand between two Ag(I) ions. DFT calculations were performed to elucidate the structures of the investigated complexes in solution. The antimicrobial potential of the complexes 1–4 was evaluated against two bacterial (Pseudomonas aeruginosa and Staphylococcus aureus) and two Candida (C. albicans and C. parapsilosis) species. Silver(I) complexes 3 and 4 have shown good antibacterial and antifungal properties with minimal inhibitory concentration (MIC) values ranging from 4.9 to 39.0 μM (3.9–31.2 μg mL−1). All complexes inhibited the filamentation of C. albicans and hyphae formation, while silver(I) complexes 3 and 4 had also the ability to inhibit the biofilm formation process of this fungus. The binding affinity of the complexes 1–4 with calf thymus DNA (ct-DNA) and bovine serum albumin (BSA) was studied by fluorescence emission spectroscopy to clarify the mode of their antimicrobial activity. Catechol oxidase biomimetic catalytic activity of copper(II) complexes 1 and 2 was additionally investigated by using 3,5-di-tert-butylcatechol (3,5-DTBC) and o-aminophenol (OAP) as substrates.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "RSC Advances",
title = "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex",
volume = "13",
number = "7",
pages = "4376-4393",
doi = "10.1039/D2RA07401J"
}
Andrejević, T. P., Aleksić, I., Kljun, J., Počkaj, M., Zlatar, M., Vojnović, S., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2023). Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex. in RSC Advances
Royal Society of Chemistry (RSC)., 13(7), 4376-4393.
https://doi.org/10.1039/D2RA07401J
Andrejević TP, Aleksić I, Kljun J, Počkaj M, Zlatar M, Vojnović S, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex. in RSC Advances. 2023;13(7):4376-4393.
doi:10.1039/D2RA07401J .
Andrejević, Tina P., Aleksić, Ivana, Kljun, Jakob, Počkaj, Marta, Zlatar, Matija, Vojnović, Sandra, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex" in RSC Advances, 13, no. 7 (2023):4376-4393,
https://doi.org/10.1039/D2RA07401J . .
9
4
4

CCDC 2220146: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"

Andrejević, Tina P.; Aleksić, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnović, Sandra; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(The Cambridge Crystallographic Data Centre (CCDC), 2023)

TY  - DATA
AU  - Andrejević, Tina P.
AU  - Aleksić, Ivana
AU  - Kljun, Jakob
AU  - Počkaj, Marta
AU  - Zlatar, Matija
AU  - Vojnović, Sandra
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5669
AB  - TEZLOD : New Structure undergoing enhancement  Space Group: P 1 (2), Cell: a 7.7916(6)Å b 8.9848(6)Å c 11.9955(7)Å, α 104.394(6)° β 106.396(6)° γ 104.368(6)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2220146: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
DO  - 10.5517/ccdc.csd.cc2dj7mt
ER  - 
@misc{
author = "Andrejević, Tina P. and Aleksić, Ivana and Kljun, Jakob and Počkaj, Marta and Zlatar, Matija and Vojnović, Sandra and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2023",
abstract = "TEZLOD : New Structure undergoing enhancement  Space Group: P 1 (2), Cell: a 7.7916(6)Å b 8.9848(6)Å c 11.9955(7)Å, α 104.394(6)° β 106.396(6)° γ 104.368(6)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2220146: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"",
doi = "10.5517/ccdc.csd.cc2dj7mt"
}
Andrejević, T. P., Aleksić, I., Kljun, J., Počkaj, M., Zlatar, M., Vojnović, S., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2023). CCDC 2220146: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc2dj7mt
Andrejević TP, Aleksić I, Kljun J, Počkaj M, Zlatar M, Vojnović S, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. CCDC 2220146: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 2023;.
doi:10.5517/ccdc.csd.cc2dj7mt .
Andrejević, Tina P., Aleksić, Ivana, Kljun, Jakob, Počkaj, Marta, Zlatar, Matija, Vojnović, Sandra, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "CCDC 2220146: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"" (2023),
https://doi.org/10.5517/ccdc.csd.cc2dj7mt . .

CCDC 2220147: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"

Andrejević, Tina P.; Aleksić, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnović, Sandra; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(The Cambridge Crystallographic Data Centre (CCDC), 2023)

TY  - DATA
AU  - Andrejević, Tina P.
AU  - Aleksić, Ivana
AU  - Kljun, Jakob
AU  - Počkaj, Marta
AU  - Zlatar, Matija
AU  - Vojnović, Sandra
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5669
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5670
AB  - TEZLUJ : New Structure undergoing enhancement  Space Group: P 1 (2), Cell: a 8.2856(3)Å b 12.1191(5)Å c 19.2393(6)Å, α 82.105(3)° β 86.220(3)° γ 77.071(3)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2220147: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
DO  - 10.5517/ccdc.csd.cc2dj7nv
ER  - 
@misc{
author = "Andrejević, Tina P. and Aleksić, Ivana and Kljun, Jakob and Počkaj, Marta and Zlatar, Matija and Vojnović, Sandra and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2023",
abstract = "TEZLUJ : New Structure undergoing enhancement  Space Group: P 1 (2), Cell: a 8.2856(3)Å b 12.1191(5)Å c 19.2393(6)Å, α 82.105(3)° β 86.220(3)° γ 77.071(3)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2220147: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"",
doi = "10.5517/ccdc.csd.cc2dj7nv"
}
Andrejević, T. P., Aleksić, I., Kljun, J., Počkaj, M., Zlatar, M., Vojnović, S., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2023). CCDC 2220147: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc2dj7nv
Andrejević TP, Aleksić I, Kljun J, Počkaj M, Zlatar M, Vojnović S, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. CCDC 2220147: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 2023;.
doi:10.5517/ccdc.csd.cc2dj7nv .
Andrejević, Tina P., Aleksić, Ivana, Kljun, Jakob, Počkaj, Marta, Zlatar, Matija, Vojnović, Sandra, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "CCDC 2220147: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"" (2023),
https://doi.org/10.5517/ccdc.csd.cc2dj7nv . .

CCDC 2220148: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"

Andrejević, Tina P.; Aleksić, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnović, Sandra; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(The Cambridge Crystallographic Data Centre (CCDC), 2023)

TY  - DATA
AU  - Andrejević, Tina P.
AU  - Aleksić, Ivana
AU  - Kljun, Jakob
AU  - Počkaj, Marta
AU  - Zlatar, Matija
AU  - Vojnović, Sandra
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5671
AB  - TEZMAQ; Space Group: P 1 (2), Cell: a 8.2856(3)Å b 12.1191(5)Å c 19.2393(6)Å, α 82.105(3)° β 86.220(3)° γ 77.071(3)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2220148: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
DO  - 10.5517/ccdc.csd.cc2dj7pw
ER  - 
@misc{
author = "Andrejević, Tina P. and Aleksić, Ivana and Kljun, Jakob and Počkaj, Marta and Zlatar, Matija and Vojnović, Sandra and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2023",
abstract = "TEZMAQ; Space Group: P 1 (2), Cell: a 8.2856(3)Å b 12.1191(5)Å c 19.2393(6)Å, α 82.105(3)° β 86.220(3)° γ 77.071(3)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2220148: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"",
doi = "10.5517/ccdc.csd.cc2dj7pw"
}
Andrejević, T. P., Aleksić, I., Kljun, J., Počkaj, M., Zlatar, M., Vojnović, S., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2023). CCDC 2220148: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc2dj7pw
Andrejević TP, Aleksić I, Kljun J, Počkaj M, Zlatar M, Vojnović S, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. CCDC 2220148: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 2023;.
doi:10.5517/ccdc.csd.cc2dj7pw .
Andrejević, Tina P., Aleksić, Ivana, Kljun, Jakob, Počkaj, Marta, Zlatar, Matija, Vojnović, Sandra, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "CCDC 2220148: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"" (2023),
https://doi.org/10.5517/ccdc.csd.cc2dj7pw . .

CCDC 2220149: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"

Andrejević, Tina P.; Aleksić, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnović, Sandra; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(The Cambridge Crystallographic Data Centre (CCDC), 2023)

TY  - DATA
AU  - Andrejević, Tina P.
AU  - Aleksić, Ivana
AU  - Kljun, Jakob
AU  - Počkaj, Marta
AU  - Zlatar, Matija
AU  - Vojnović, Sandra
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5672
AB  - TEZMEU: Space Group: P 1 (2), Cell: a 7.4731(4)Å b 11.7049(4)Å c 17.6092(8)Å, α 97.285(4)° β 96.617(4)° γ 102.781(4)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2220149: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
DO  - 10.5517/ccdc.csd.cc2dj7qx
ER  - 
@misc{
author = "Andrejević, Tina P. and Aleksić, Ivana and Kljun, Jakob and Počkaj, Marta and Zlatar, Matija and Vojnović, Sandra and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2023",
abstract = "TEZMEU: Space Group: P 1 (2), Cell: a 7.4731(4)Å b 11.7049(4)Å c 17.6092(8)Å, α 97.285(4)° β 96.617(4)° γ 102.781(4)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2220149: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"",
doi = "10.5517/ccdc.csd.cc2dj7qx"
}
Andrejević, T. P., Aleksić, I., Kljun, J., Počkaj, M., Zlatar, M., Vojnović, S., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2023). CCDC 2220149: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc2dj7qx
Andrejević TP, Aleksić I, Kljun J, Počkaj M, Zlatar M, Vojnović S, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. CCDC 2220149: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 2023;.
doi:10.5517/ccdc.csd.cc2dj7qx .
Andrejević, Tina P., Aleksić, Ivana, Kljun, Jakob, Počkaj, Marta, Zlatar, Matija, Vojnović, Sandra, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "CCDC 2220149: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"" (2023),
https://doi.org/10.5517/ccdc.csd.cc2dj7qx . .

CCDC 2220150: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"

Andrejević, Tina P.; Aleksić, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnović, Sandra; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(The Cambridge Crystallographic Data Centre (CCDC), 2023)

TY  - DATA
AU  - Andrejević, Tina P.
AU  - Aleksić, Ivana
AU  - Kljun, Jakob
AU  - Počkaj, Marta
AU  - Zlatar, Matija
AU  - Vojnović, Sandra
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5673
AB  - TEZMIY: Space Group: P 21/n (14), Cell: a 11.0042(12)Å b 12.8657(8)Å c 12.5820(12)Å, α 90° β 115.436(13)° γ 90°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2220150: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
DO  - 10.5517/ccdc.csd.cc2dj7ry
ER  - 
@misc{
author = "Andrejević, Tina P. and Aleksić, Ivana and Kljun, Jakob and Počkaj, Marta and Zlatar, Matija and Vojnović, Sandra and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2023",
abstract = "TEZMIY: Space Group: P 21/n (14), Cell: a 11.0042(12)Å b 12.8657(8)Å c 12.5820(12)Å, α 90° β 115.436(13)° γ 90°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2220150: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"",
doi = "10.5517/ccdc.csd.cc2dj7ry"
}
Andrejević, T. P., Aleksić, I., Kljun, J., Počkaj, M., Zlatar, M., Vojnović, S., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2023). CCDC 2220150: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc2dj7ry
Andrejević TP, Aleksić I, Kljun J, Počkaj M, Zlatar M, Vojnović S, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. CCDC 2220150: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". 2023;.
doi:10.5517/ccdc.csd.cc2dj7ry .
Andrejević, Tina P., Aleksić, Ivana, Kljun, Jakob, Počkaj, Marta, Zlatar, Matija, Vojnović, Sandra, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "CCDC 2220150: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"" (2023),
https://doi.org/10.5517/ccdc.csd.cc2dj7ry . .

Electronic Supplementary Information for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"

Andrejević, Tina P.; Aleksić, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnović, Sandra; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(Royal Society of Chemistry (RSC), 2023)

TY  - DATA
AU  - Andrejević, Tina P.
AU  - Aleksić, Ivana
AU  - Kljun, Jakob
AU  - Počkaj, Marta
AU  - Zlatar, Matija
AU  - Vojnović, Sandra
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5674
AB  - Dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz) was used as a ligand for the synthesis of new copper(II) and silver(I) complexes, [CuCl2(py-2pz)]2 (1), [Cu(CF3SO3)(H2O)(py-2pz)2]CF3SO3·2H2O (2), [Ag(py-2pz)2]PF6 (3) and {[Ag(NO3)(py-2pz)]·0.5H2O}n (4). The complexes were characterized by spectroscopic and electrochemical methods, while their structures were determined by single crystal X-ray diffraction analysis. The X-ray analysis revealed the bidentate coordination mode of py-2pz to the corresponding metal ion via its pyridine and pyrazine nitrogen atoms in all complexes, while in polynuclear complex 4, the heterocyclic pyrazine ring of one py-2pz additionally behaves as a bridging ligand between two Ag(I) ions. DFT calculations were performed to elucidate the structures of the investigated complexes in solution. The antimicrobial potential of the complexes 1–4 was evaluated against two bacterial (Pseudomonas aeruginosa and Staphylococcus aureus) and two Candida (C. albicans and C. parapsilosis) species. Silver(I) complexes 3 and 4 have shown good antibacterial and antifungal properties with minimal inhibitory concentration (MIC) values ranging from 4.9 to 39.0 μM (3.9–31.2 μg mL−1). All complexes inhibited the filamentation of C. albicans and hyphae formation, while silver(I) complexes 3 and 4 had also the ability to inhibit the biofilm formation process of this fungus. The binding affinity of the complexes 1–4 with calf thymus DNA (ct-DNA) and bovine serum albumin (BSA) was studied by fluorescence emission spectroscopy to clarify the mode of their antimicrobial activity. Catechol oxidase biomimetic catalytic activity of copper(II) complexes 1 and 2 was additionally investigated by using 3,5-di-tert-butylcatechol (3,5-DTBC) and o-aminophenol (OAP) as substrates.
AB  - 1H NMR spectrum of py-2pz S5 1H NMR spectrum of complex 3 S6 1H NMR spectrum of complex 4 S7 Fig. S1 UV-Vis spectra of copper(II) complexes 1 and 2 recorded in DMSO at room  temperature. S8 Fig. S2 UV-Vis spectra of silver(I) complexes 3 and 4 in respect to the spectrum of  uncoordinated py-2pz recorded in DMSO at room temperature. S9 Fig. S3 Time-dependant UV-Vis spectra of copper(II) complex 2 and silver(I)  complex 3 recorded in DMSO/PBS (v/v 2 : 1 and 1 : 42.9 for 2 and 3, respectively)  at room temperature. S10 Fig. S4 Cyclic voltammogram of py-2pz ligand at GC electrode in DMSO (c = 1 ×  10-3 M) and 0.1 M TBAHP as a supporting electrolyte with a scan rate of 50  mV s-1 . S11 Fig. S5 Graphical representation of the spin density of the high-spin state of 1.  Isosurfaces were drawn at 0.003 a.u. with α-spin depicted by blue surfaces. S12 Fig. S6 Inhibition of violacein and prodigiosin production in the presence of  complexes 1 – 4 and py-2pz ligand tested on Chromobacterium violaceum CV026  and Serratia marcescens at 100 µg per disc concentration. DMSO was used as a  control. S13 Scheme S1 Catechol oxidase (CAO) and phenoxazinone synthase (PHS) activity. S14 Table S1 C. albicans ATCC10231 biofilm inhibition (%) in the presence of silver(I)  complexes 3 and 4 in range of subinhibitory concentrations. Table S2 Details of the crystal structure determination for copper(II) complexes  1 and 2 S16 Table S3 Details of the crystal structure determination for silver(I) complexes  3 and 4 S17 Cartesian coordinates of all DFT optimized structures S18.
PB  - Royal Society of Chemistry (RSC)
T2  - RSC Advances
T1  - Electronic Supplementary Information for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
DO  - 10.1039/D2RA07401J
ER  - 
@misc{
author = "Andrejević, Tina P. and Aleksić, Ivana and Kljun, Jakob and Počkaj, Marta and Zlatar, Matija and Vojnović, Sandra and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2023",
abstract = "Dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz) was used as a ligand for the synthesis of new copper(II) and silver(I) complexes, [CuCl2(py-2pz)]2 (1), [Cu(CF3SO3)(H2O)(py-2pz)2]CF3SO3·2H2O (2), [Ag(py-2pz)2]PF6 (3) and {[Ag(NO3)(py-2pz)]·0.5H2O}n (4). The complexes were characterized by spectroscopic and electrochemical methods, while their structures were determined by single crystal X-ray diffraction analysis. The X-ray analysis revealed the bidentate coordination mode of py-2pz to the corresponding metal ion via its pyridine and pyrazine nitrogen atoms in all complexes, while in polynuclear complex 4, the heterocyclic pyrazine ring of one py-2pz additionally behaves as a bridging ligand between two Ag(I) ions. DFT calculations were performed to elucidate the structures of the investigated complexes in solution. The antimicrobial potential of the complexes 1–4 was evaluated against two bacterial (Pseudomonas aeruginosa and Staphylococcus aureus) and two Candida (C. albicans and C. parapsilosis) species. Silver(I) complexes 3 and 4 have shown good antibacterial and antifungal properties with minimal inhibitory concentration (MIC) values ranging from 4.9 to 39.0 μM (3.9–31.2 μg mL−1). All complexes inhibited the filamentation of C. albicans and hyphae formation, while silver(I) complexes 3 and 4 had also the ability to inhibit the biofilm formation process of this fungus. The binding affinity of the complexes 1–4 with calf thymus DNA (ct-DNA) and bovine serum albumin (BSA) was studied by fluorescence emission spectroscopy to clarify the mode of their antimicrobial activity. Catechol oxidase biomimetic catalytic activity of copper(II) complexes 1 and 2 was additionally investigated by using 3,5-di-tert-butylcatechol (3,5-DTBC) and o-aminophenol (OAP) as substrates., 1H NMR spectrum of py-2pz S5 1H NMR spectrum of complex 3 S6 1H NMR spectrum of complex 4 S7 Fig. S1 UV-Vis spectra of copper(II) complexes 1 and 2 recorded in DMSO at room  temperature. S8 Fig. S2 UV-Vis spectra of silver(I) complexes 3 and 4 in respect to the spectrum of  uncoordinated py-2pz recorded in DMSO at room temperature. S9 Fig. S3 Time-dependant UV-Vis spectra of copper(II) complex 2 and silver(I)  complex 3 recorded in DMSO/PBS (v/v 2 : 1 and 1 : 42.9 for 2 and 3, respectively)  at room temperature. S10 Fig. S4 Cyclic voltammogram of py-2pz ligand at GC electrode in DMSO (c = 1 ×  10-3 M) and 0.1 M TBAHP as a supporting electrolyte with a scan rate of 50  mV s-1 . S11 Fig. S5 Graphical representation of the spin density of the high-spin state of 1.  Isosurfaces were drawn at 0.003 a.u. with α-spin depicted by blue surfaces. S12 Fig. S6 Inhibition of violacein and prodigiosin production in the presence of  complexes 1 – 4 and py-2pz ligand tested on Chromobacterium violaceum CV026  and Serratia marcescens at 100 µg per disc concentration. DMSO was used as a  control. S13 Scheme S1 Catechol oxidase (CAO) and phenoxazinone synthase (PHS) activity. S14 Table S1 C. albicans ATCC10231 biofilm inhibition (%) in the presence of silver(I)  complexes 3 and 4 in range of subinhibitory concentrations. Table S2 Details of the crystal structure determination for copper(II) complexes  1 and 2 S16 Table S3 Details of the crystal structure determination for silver(I) complexes  3 and 4 S17 Cartesian coordinates of all DFT optimized structures S18.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "RSC Advances",
title = "Electronic Supplementary Information for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"",
doi = "10.1039/D2RA07401J"
}
Andrejević, T. P., Aleksić, I., Kljun, J., Počkaj, M., Zlatar, M., Vojnović, S., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2023). Electronic Supplementary Information for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". in RSC Advances
Royal Society of Chemistry (RSC)..
https://doi.org/10.1039/D2RA07401J
Andrejević TP, Aleksić I, Kljun J, Počkaj M, Zlatar M, Vojnović S, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. Electronic Supplementary Information for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex". in RSC Advances. 2023;.
doi:10.1039/D2RA07401J .
Andrejević, Tina P., Aleksić, Ivana, Kljun, Jakob, Počkaj, Marta, Zlatar, Matija, Vojnović, Sandra, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "Electronic Supplementary Information for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"" in RSC Advances (2023),
https://doi.org/10.1039/D2RA07401J . .
9
4

Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation

Darmanović, Darinka; Radanović, Dušanka; Jevtović, Mima; Turel, Iztok; Pevec, Andrej; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Đorđević, Nataša G.; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2022)

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka
AU  - Jevtović, Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Đorđević, Nataša G.
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5109
AB  - Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation
VL  - 1266
SP  - 133509
DO  - 10.1016/j.molstruc.2022.133509
ER  - 
@article{
author = "Darmanović, Darinka and Radanović, Dušanka and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar",
year = "2022",
abstract = "Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation",
volume = "1266",
pages = "133509",
doi = "10.1016/j.molstruc.2022.133509"
}
Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure
Elsevier., 1266, 133509.
https://doi.org/10.1016/j.molstruc.2022.133509
Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure. 2022;1266:133509.
doi:10.1016/j.molstruc.2022.133509 .
Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" in Journal of Molecular Structure, 1266 (2022):133509,
https://doi.org/10.1016/j.molstruc.2022.133509 . .
1
3

CCDC 2168741: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"

Darmanović, Darinka; Radanović, Dušanka; Jevtović, Mima; Turel, Iztok; Pevec, Andrej; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Đorđević, Nataša G.; Anđelković, Katarina; Čobeljić, Božidar

(The Cambridge Crystallographic Data Centre (CCDC), 2022)

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

CCDC 2168742: Experimental Crystal Structure Determination. Crystallographic data for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"

Darmanović, Darinka; Radanović, Dušanka; Jevtović, Mima; Turel, Iztok; Pevec, Andrej; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Đorđević, Nataša G.; Anđelković, Katarina; Čobeljić, Božidar

(The Cambridge Crystallographic Data Centre (CCDC), 2022)

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

Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"

Darmanović, Darinka; Radanović, Dušanka; Jevtović, Mima; Turel, Iztok; Pevec, Andrej; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Đorđević, Nataša G.; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2022)

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

Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation

Darmanović, Darinka; Radanović, Dušanka; Jevtović, Mima; Turel, Iztok; Pevec, Andrej; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Đorđević, Nataša G.; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2022)

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Radanović, Dušanka
AU  - Jevtović, Mima
AU  - Turel, Iztok
AU  - Pevec, Andrej
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Đorđević, Nataša G.
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5113
AB  - Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation
VL  - 1266
SP  - 133509
DO  - 10.1016/j.molstruc.2022.133509
ER  - 
@article{
author = "Darmanović, Darinka and Radanović, Dušanka and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar",
year = "2022",
abstract = "Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation",
volume = "1266",
pages = "133509",
doi = "10.1016/j.molstruc.2022.133509"
}
Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure
Elsevier., 1266, 133509.
https://doi.org/10.1016/j.molstruc.2022.133509
Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure. 2022;1266:133509.
doi:10.1016/j.molstruc.2022.133509 .
Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" in Journal of Molecular Structure, 1266 (2022):133509,
https://doi.org/10.1016/j.molstruc.2022.133509 . .
1
3

Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity

Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z.; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar

(Royal Society of Chemistry (RSC), 2022)

TY  - JOUR
AU  - Stevanović, Nevena
AU  - Zlatar, Matija
AU  - Novaković, Irena
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Matić, Ivana Z.
AU  - Đorđić Crnogorac, Marija
AU  - Stanojković, Tatjana
AU  - Vujčić, Miroslava
AU  - Gruden, Maja
AU  - Sladić, Dušan
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4901
AB  - In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.
PB  - Royal Society of Chemistry (RSC)
T2  - Dalton Transactions
T1  - Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity
VL  - 51
IS  - 1
SP  - 185
EP  - 196
DO  - 10.1039/D1DT03169D
ER  - 
@article{
author = "Stevanović, Nevena and Zlatar, Matija and Novaković, Irena and Pevec, Andrej and Radanović, Dušanka and Matić, Ivana Z. and Đorđić Crnogorac, Marija and Stanojković, Tatjana and Vujčić, Miroslava and Gruden, Maja and Sladić, Dušan and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar",
year = "2022",
abstract = "In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "Dalton Transactions",
title = "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity",
volume = "51",
number = "1",
pages = "185-196",
doi = "10.1039/D1DT03169D"
}
Stevanović, N., Zlatar, M., Novaković, I., Pevec, A., Radanović, D., Matić, I. Z., Đorđić Crnogorac, M., Stanojković, T., Vujčić, M., Gruden, M., Sladić, D., Anđelković, K., Turel, I.,& Čobeljić, B.. (2022). Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity. in Dalton Transactions
Royal Society of Chemistry (RSC)., 51(1), 185-196.
https://doi.org/10.1039/D1DT03169D
Stevanović N, Zlatar M, Novaković I, Pevec A, Radanović D, Matić IZ, Đorđić Crnogorac M, Stanojković T, Vujčić M, Gruden M, Sladić D, Anđelković K, Turel I, Čobeljić B. Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity. in Dalton Transactions. 2022;51(1):185-196.
doi:10.1039/D1DT03169D .
Stevanović, Nevena, Zlatar, Matija, Novaković, Irena, Pevec, Andrej, Radanović, Dušanka, Matić, Ivana Z., Đorđić Crnogorac, Marija, Stanojković, Tatjana, Vujčić, Miroslava, Gruden, Maja, Sladić, Dušan, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity" in Dalton Transactions, 51, no. 1 (2022):185-196,
https://doi.org/10.1039/D1DT03169D . .
11
15
1
12

Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"

Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z.; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar

(Royal Society of Chemistry (RSC), 2022)

TY  - DATA
AU  - Stevanović, Nevena
AU  - Zlatar, Matija
AU  - Novaković, Irena
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Matić, Ivana Z.
AU  - Đorđić Crnogorac, Marija
AU  - Stanojković, Tatjana
AU  - Vujčić, Miroslava
AU  - Gruden, Maja
AU  - Sladić, Dušan
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4902
AB  - In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.
PB  - Royal Society of Chemistry (RSC)
T2  - Dalton Transactions
T1  - Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4858
ER  - 
@misc{
author = "Stevanović, Nevena and Zlatar, Matija and Novaković, Irena and Pevec, Andrej and Radanović, Dušanka and Matić, Ivana Z. and Đorđić Crnogorac, Marija and Stanojković, Tatjana and Vujčić, Miroslava and Gruden, Maja and Sladić, Dušan and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar",
year = "2022",
abstract = "In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis and DFT calculations. In all three complexes, a ligand (L1) is coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Cu(II) and Zn(II) form mononuclear penta-coordinated complexes [CuL1(N3)(CH3OH)]BF4 and [ZnL1(N3)2], respectively, while Mn(II) forms a binuclear [Mn2L12(μ-1,1-N3)2(N3)2]·2CH3OH complex, with unusual distorted trigonal-prismatic geometry around the metal centers. The antimicrobial activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two yeasts and one fungal strain. The binuclear Mn(II) complex showed antifungal activity of similar intensity to amphotericin B. Based on the results of the brine shrimp test and DPPH radical scavenging activity, the most active Cu(II) and Mn(II) complexes were selected for evaluation of cytotoxic activity against five malignant cancer cell lines (HeLa, A375, MCF7, PC-3 and A549) and one normal cell line HaCaT. Both complexes showed significant activity. It should be pointed out that the activity of the Mn(II) complex against the MCF7 breast cancer cell line is only slightly weaker than that of cisplatin, but with selectivity to the tumor cell line in comparison to normal HaCaT cells, which is non-existent in the case of cisplatin.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "Dalton Transactions",
title = "Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4858"
}
Stevanović, N., Zlatar, M., Novaković, I., Pevec, A., Radanović, D., Matić, I. Z., Đorđić Crnogorac, M., Stanojković, T., Vujčić, M., Gruden, M., Sladić, D., Anđelković, K., Turel, I.,& Čobeljić, B.. (2022). Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". in Dalton Transactions
Royal Society of Chemistry (RSC)..
https://hdl.handle.net/21.15107/rcub_cherry_4858
Stevanović N, Zlatar M, Novaković I, Pevec A, Radanović D, Matić IZ, Đorđić Crnogorac M, Stanojković T, Vujčić M, Gruden M, Sladić D, Anđelković K, Turel I, Čobeljić B. Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity". in Dalton Transactions. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_4858 .
Stevanović, Nevena, Zlatar, Matija, Novaković, Irena, Pevec, Andrej, Radanović, Dušanka, Matić, Ivana Z., Đorđić Crnogorac, Marija, Stanojković, Tatjana, Vujčić, Miroslava, Gruden, Maja, Sladić, Dušan, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, "Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"" in Dalton Transactions (2022),
https://hdl.handle.net/21.15107/rcub_cherry_4858 .

Cobalt(II), Zinc(II), Iron(III), and Copper(II) Complexes Bearing Positively Charged Quaternary Ammonium Functionalities: Synthesis, Characterization, Electrochemical Behavior, and SOD Activity

Stojičkov, Marko; Sturm, Sabrina; Čobeljić, Božidar; Pevec, Andrej; Jevtović, Mima; Scheitler, Andreas; Radanović, Dušanka; Senft, Laura; Turel, Iztok; Anđelković, Katarina; Miehlich, Matthias; Meyer, Karsten; Ivanović‐Burmazović, Ivana

(Wiley-VCH Verlag, 2020)

TY  - JOUR
AU  - Stojičkov, Marko
AU  - Sturm, Sabrina
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Jevtović, Mima
AU  - Scheitler, Andreas
AU  - Radanović, Dušanka
AU  - Senft, Laura
AU  - Turel, Iztok
AU  - Anđelković, Katarina
AU  - Miehlich, Matthias
AU  - Meyer, Karsten
AU  - Ivanović‐Burmazović, Ivana
PY  - 2020
UR  - https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/ejic.202000415
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3712
AB  - We have synthesized and characterized Co(II) (1), Zn(II) (2), Fe(III) (3) and Cu(II) (4) complexes of 2,2'‐[2,6‐pyridinediylbis(ethylidyne‐1‐hydrazinyl‐2‐ylidene)]bis[N,N,N‐trimethyl‐2‐oxoethanaminium] dichloride (H2LCl2) by NMR, IR, and X‐Band EPR spectroscopy, respectively, as well as by single‐crystal X‐ray structural analysis. H2LCl2 belongs to the class of diacetylpyridine bis(hydrazone) ligands and bears two positively charged quaternary ammonium functionalities. The complexes 1–3 possess a pentagonal‐bipyramidal geometry, whereas 4 has square‐pyramidal geometry. Redox reactivity and SOD activity of the complexes was studied by means of electrochemical measurements in aqueous‐buffer and DMF or DMSO solutions, respectively, as well as by stopped‐flow measurements. Complexes 1–3 do not have SOD activity, whereas 4 exhibits a high catalytic rate constant for the superoxide dismutation, kcat = 1.73 × 107 m–1 s–1 (in MOPS buffer solution of pH = 7.4). The results were discussed in terms of complex redox potentials, electrostatic interactions and their spatial distribution, kinetic lability of metal centers, and stability of peroxo intermediates, respectively.
PB  - Wiley-VCH Verlag
T2  - European Journal of Inorganic Chemistry
T1  - Cobalt(II), Zinc(II), Iron(III), and Copper(II) Complexes Bearing Positively Charged Quaternary Ammonium Functionalities: Synthesis, Characterization, Electrochemical Behavior, and SOD Activity
SP  - 3347
EP  - 3358
DO  - 10.1002/ejic.202000415
ER  - 
@article{
author = "Stojičkov, Marko and Sturm, Sabrina and Čobeljić, Božidar and Pevec, Andrej and Jevtović, Mima and Scheitler, Andreas and Radanović, Dušanka and Senft, Laura and Turel, Iztok and Anđelković, Katarina and Miehlich, Matthias and Meyer, Karsten and Ivanović‐Burmazović, Ivana",
year = "2020",
abstract = "We have synthesized and characterized Co(II) (1), Zn(II) (2), Fe(III) (3) and Cu(II) (4) complexes of 2,2'‐[2,6‐pyridinediylbis(ethylidyne‐1‐hydrazinyl‐2‐ylidene)]bis[N,N,N‐trimethyl‐2‐oxoethanaminium] dichloride (H2LCl2) by NMR, IR, and X‐Band EPR spectroscopy, respectively, as well as by single‐crystal X‐ray structural analysis. H2LCl2 belongs to the class of diacetylpyridine bis(hydrazone) ligands and bears two positively charged quaternary ammonium functionalities. The complexes 1–3 possess a pentagonal‐bipyramidal geometry, whereas 4 has square‐pyramidal geometry. Redox reactivity and SOD activity of the complexes was studied by means of electrochemical measurements in aqueous‐buffer and DMF or DMSO solutions, respectively, as well as by stopped‐flow measurements. Complexes 1–3 do not have SOD activity, whereas 4 exhibits a high catalytic rate constant for the superoxide dismutation, kcat = 1.73 × 107 m–1 s–1 (in MOPS buffer solution of pH = 7.4). The results were discussed in terms of complex redox potentials, electrostatic interactions and their spatial distribution, kinetic lability of metal centers, and stability of peroxo intermediates, respectively.",
publisher = "Wiley-VCH Verlag",
journal = "European Journal of Inorganic Chemistry",
title = "Cobalt(II), Zinc(II), Iron(III), and Copper(II) Complexes Bearing Positively Charged Quaternary Ammonium Functionalities: Synthesis, Characterization, Electrochemical Behavior, and SOD Activity",
pages = "3347-3358",
doi = "10.1002/ejic.202000415"
}
Stojičkov, M., Sturm, S., Čobeljić, B., Pevec, A., Jevtović, M., Scheitler, A., Radanović, D., Senft, L., Turel, I., Anđelković, K., Miehlich, M., Meyer, K.,& Ivanović‐Burmazović, I.. (2020). Cobalt(II), Zinc(II), Iron(III), and Copper(II) Complexes Bearing Positively Charged Quaternary Ammonium Functionalities: Synthesis, Characterization, Electrochemical Behavior, and SOD Activity. in European Journal of Inorganic Chemistry
Wiley-VCH Verlag., 3347-3358.
https://doi.org/10.1002/ejic.202000415
Stojičkov M, Sturm S, Čobeljić B, Pevec A, Jevtović M, Scheitler A, Radanović D, Senft L, Turel I, Anđelković K, Miehlich M, Meyer K, Ivanović‐Burmazović I. Cobalt(II), Zinc(II), Iron(III), and Copper(II) Complexes Bearing Positively Charged Quaternary Ammonium Functionalities: Synthesis, Characterization, Electrochemical Behavior, and SOD Activity. in European Journal of Inorganic Chemistry. 2020;:3347-3358.
doi:10.1002/ejic.202000415 .
Stojičkov, Marko, Sturm, Sabrina, Čobeljić, Božidar, Pevec, Andrej, Jevtović, Mima, Scheitler, Andreas, Radanović, Dušanka, Senft, Laura, Turel, Iztok, Anđelković, Katarina, Miehlich, Matthias, Meyer, Karsten, Ivanović‐Burmazović, Ivana, "Cobalt(II), Zinc(II), Iron(III), and Copper(II) Complexes Bearing Positively Charged Quaternary Ammonium Functionalities: Synthesis, Characterization, Electrochemical Behavior, and SOD Activity" in European Journal of Inorganic Chemistry (2020):3347-3358,
https://doi.org/10.1002/ejic.202000415 . .
2
6
4
6

Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes

Adejumo, Temiloluwa T.; Tzouras, Nikolaos V.; Zorba, Leandros P.; Radanović, Dušanka; Pevec, Andrej; Grubišić, Sonja; Mitić, Dragana; Anđelković, Katarina; Vougioukalakis, Georgios C.; Čobeljić, Božidar; Turel, Iztok

(MDPI, 2020)

TY  - JOUR
AU  - Adejumo, Temiloluwa T.
AU  - Tzouras, Nikolaos V.
AU  - Zorba, Leandros P.
AU  - Radanović, Dušanka
AU  - Pevec, Andrej
AU  - Grubišić, Sonja
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Vougioukalakis, Georgios C.
AU  - Čobeljić, Božidar
AU  - Turel, Iztok
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3711
AB  - Two new Zn(II) complexes with tridentate hydrazone-based ligands (condensation products of 2-acetylthiazole) were synthesized and characterized by infrared (IR) and nuclear magnetic resonance (NMR) spectroscopy and single crystal X-ray diffraction methods. The complexes 1, 2 and recently synthesized [ZnL3(NCS)2] (L3 = (E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethan-1-aminium) complex 3 were tested as potential catalysts for the ketone-amine-alkyne (KA2) coupling reaction. The gas-phase geometry optimization of newly synthesized and characterized Zn(II) complexes has been computed at the density functional theory (DFT)/B3LYP/6–31G level of theory, while the highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO and LUMO) energies were calculated within the time-dependent density functional theory (TD-DFT) at B3LYP/6-31G and B3LYP/6-311G(d,p) levels of theory. From the energies of frontier molecular orbitals (HOMO–LUMO), the reactivity descriptors, such as chemical potential (μ), hardness (η), softness (S), electronegativity (χ) and electrophilicity index (ω) have been calculated. The energetic behavior of the investigated compounds (1 and 2) has been examined in gas phase and solvent media using the polarizable continuum model. For comparison reasons, the same calculations have been performed for recently synthesized [ZnL3(NCS)2] complex 3. DFT results show that compound 1 has the smaller frontier orbital gap so, it is more polarizable and is associated with a higher chemical reactivity, low kinetic stability and is termed as soft molecule.
PB  - MDPI
T2  - Molecules
T1  - Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes
VL  - 25
IS  - 18
SP  - 4043
DO  - 10.3390/molecules25184043
ER  - 
@article{
author = "Adejumo, Temiloluwa T. and Tzouras, Nikolaos V. and Zorba, Leandros P. and Radanović, Dušanka and Pevec, Andrej and Grubišić, Sonja and Mitić, Dragana and Anđelković, Katarina and Vougioukalakis, Georgios C. and Čobeljić, Božidar and Turel, Iztok",
year = "2020",
abstract = "Two new Zn(II) complexes with tridentate hydrazone-based ligands (condensation products of 2-acetylthiazole) were synthesized and characterized by infrared (IR) and nuclear magnetic resonance (NMR) spectroscopy and single crystal X-ray diffraction methods. The complexes 1, 2 and recently synthesized [ZnL3(NCS)2] (L3 = (E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethan-1-aminium) complex 3 were tested as potential catalysts for the ketone-amine-alkyne (KA2) coupling reaction. The gas-phase geometry optimization of newly synthesized and characterized Zn(II) complexes has been computed at the density functional theory (DFT)/B3LYP/6–31G level of theory, while the highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO and LUMO) energies were calculated within the time-dependent density functional theory (TD-DFT) at B3LYP/6-31G and B3LYP/6-311G(d,p) levels of theory. From the energies of frontier molecular orbitals (HOMO–LUMO), the reactivity descriptors, such as chemical potential (μ), hardness (η), softness (S), electronegativity (χ) and electrophilicity index (ω) have been calculated. The energetic behavior of the investigated compounds (1 and 2) has been examined in gas phase and solvent media using the polarizable continuum model. For comparison reasons, the same calculations have been performed for recently synthesized [ZnL3(NCS)2] complex 3. DFT results show that compound 1 has the smaller frontier orbital gap so, it is more polarizable and is associated with a higher chemical reactivity, low kinetic stability and is termed as soft molecule.",
publisher = "MDPI",
journal = "Molecules",
title = "Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes",
volume = "25",
number = "18",
pages = "4043",
doi = "10.3390/molecules25184043"
}
Adejumo, T. T., Tzouras, N. V., Zorba, L. P., Radanović, D., Pevec, A., Grubišić, S., Mitić, D., Anđelković, K., Vougioukalakis, G. C., Čobeljić, B.,& Turel, I.. (2020). Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes. in Molecules
MDPI., 25(18), 4043.
https://doi.org/10.3390/molecules25184043
Adejumo TT, Tzouras NV, Zorba LP, Radanović D, Pevec A, Grubišić S, Mitić D, Anđelković K, Vougioukalakis GC, Čobeljić B, Turel I. Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes. in Molecules. 2020;25(18):4043.
doi:10.3390/molecules25184043 .
Adejumo, Temiloluwa T., Tzouras, Nikolaos V., Zorba, Leandros P., Radanović, Dušanka, Pevec, Andrej, Grubišić, Sonja, Mitić, Dragana, Anđelković, Katarina, Vougioukalakis, Georgios C., Čobeljić, Božidar, Turel, Iztok, "Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes" in Molecules, 25, no. 18 (2020):4043,
https://doi.org/10.3390/molecules25184043 . .
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