Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200122 (University of Kragujevac, Faculty of Science)

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Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200122 (University of Kragujevac, Faculty of Science) (en)
Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 451-03-68/2020-14/200122 (Univerzitet u Kragujevcu, Prirodno-matematički fakultet) (sr_RS)
Министарство просвете, науке и технолошког развоја Републике Србије, Уговор бр. 451-03-68/2020-14/200122 (Универзитет у Крагујевцу, Природно-математички факултет) (sr)
Authors

Publications

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

Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, the behavior in the Briggs-Rauscher reaction and photoluminescence properties

Maksimović, Tijana; Tančić, Pavle; Maksimović, Jelena; Mara, Dimitrije; Ilić, Marija; Van Deun, Rik; Joksović, Ljubinka; Pagnacco, Maja

(Elsevier B.V., 2023)

TY  - JOUR
AU  - Maksimović, Tijana
AU  - Tančić, Pavle
AU  - Maksimović, Jelena
AU  - Mara, Dimitrije
AU  - Ilić, Marija
AU  - Van Deun, Rik
AU  - Joksović, Ljubinka
AU  - Pagnacco, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6461
AB  - Due to the interesting and potentially useful properties, phosphate tungsten bronzes are constantly being studied and attract a lot of attention. In the present work, two different metallic elements, belonging to the group of rare-earth metals, cerium and praseodymium, were used as a dopants for phosphate tungsten bronzes. Novel cerium and praseodymium doped phosphate tungsten bronzes were successfully synthesized and further characterized by thermal analyses, Fourier-transform infrared spectroscopy, X-ray powder diffraction, scanning electron microscopy
with energy-dispersive X-ray spectrometer and photoluminescence spectroscopy. The behavior of
cerium and praseodymium doped phosphate tungsten bronzes were examined in the Briggs-Rauscher oscillatory reaction. The changes in the oscillatory dynamics, caused by the addition of cerium doped and praseodymium doped phosphate tungsten bronzes, are used for distinction of these bronzes and also as a method for testing the catalytic features of the bronzes. Beside the nonlinear behavior, the bronzes have shown photoluminescence in the visible region (blue region).
PB  - Elsevier B.V.
T2  - Optical Materials
T1  - Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, the behavior in the Briggs-Rauscher reaction and photoluminescence properties
VL  - 143
SP  - 114125
DO  - 10.1016/j.optmat.2023.114125
ER  - 
@article{
author = "Maksimović, Tijana and Tančić, Pavle and Maksimović, Jelena and Mara, Dimitrije and Ilić, Marija and Van Deun, Rik and Joksović, Ljubinka and Pagnacco, Maja",
year = "2023",
abstract = "Due to the interesting and potentially useful properties, phosphate tungsten bronzes are constantly being studied and attract a lot of attention. In the present work, two different metallic elements, belonging to the group of rare-earth metals, cerium and praseodymium, were used as a dopants for phosphate tungsten bronzes. Novel cerium and praseodymium doped phosphate tungsten bronzes were successfully synthesized and further characterized by thermal analyses, Fourier-transform infrared spectroscopy, X-ray powder diffraction, scanning electron microscopy
with energy-dispersive X-ray spectrometer and photoluminescence spectroscopy. The behavior of
cerium and praseodymium doped phosphate tungsten bronzes were examined in the Briggs-Rauscher oscillatory reaction. The changes in the oscillatory dynamics, caused by the addition of cerium doped and praseodymium doped phosphate tungsten bronzes, are used for distinction of these bronzes and also as a method for testing the catalytic features of the bronzes. Beside the nonlinear behavior, the bronzes have shown photoluminescence in the visible region (blue region).",
publisher = "Elsevier B.V.",
journal = "Optical Materials",
title = "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, the behavior in the Briggs-Rauscher reaction and photoluminescence properties",
volume = "143",
pages = "114125",
doi = "10.1016/j.optmat.2023.114125"
}
Maksimović, T., Tančić, P., Maksimović, J., Mara, D., Ilić, M., Van Deun, R., Joksović, L.,& Pagnacco, M.. (2023). Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, the behavior in the Briggs-Rauscher reaction and photoluminescence properties. in Optical Materials
Elsevier B.V.., 143, 114125.
https://doi.org/10.1016/j.optmat.2023.114125
Maksimović T, Tančić P, Maksimović J, Mara D, Ilić M, Van Deun R, Joksović L, Pagnacco M. Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, the behavior in the Briggs-Rauscher reaction and photoluminescence properties. in Optical Materials. 2023;143:114125.
doi:10.1016/j.optmat.2023.114125 .
Maksimović, Tijana, Tančić, Pavle, Maksimović, Jelena, Mara, Dimitrije, Ilić, Marija, Van Deun, Rik, Joksović, Ljubinka, Pagnacco, Maja, "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, the behavior in the Briggs-Rauscher reaction and photoluminescence properties" in Optical Materials, 143 (2023):114125,
https://doi.org/10.1016/j.optmat.2023.114125 . .
2
1

Supplementary Materials for: "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, photoluminescent properties and behavior in Briggs-Rauscher reaction"

Maksimović, Tijana; Tančić, Pavle; Maksimović, Jelena; Mara, Dimitrije; Ilić, Marija; Van Deun, Rik; Joksović, Ljubinka; Pagnacco, Maja

(Elsevier B.V., 2023)

TY  - DATA
AU  - Maksimović, Tijana
AU  - Tančić, Pavle
AU  - Maksimović, Jelena
AU  - Mara, Dimitrije
AU  - Ilić, Marija
AU  - Van Deun, Rik
AU  - Joksović, Ljubinka
AU  - Pagnacco, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6980
AB  - Fig. S1 FTIR spectrum of 6-PWA; Table S1 Observed inter-planar spacings (dobs, in Å) and intensities (Iobs, in %) of Ce-PWA and Pr-PWA, in comparison with 6-PWA and Ca-PWA; Table S2 Observed inter-planar spacings (dobs, in Å) and intensities (Iobs, in %) of Ce-PWB and Pr-PWB, in comparison with PWB, Ca-PWB, and Li-PWB; Table S3 Calculated inter-planar spacings (dcalc, in Å) of Ce-PWB, Pr-PWB, Ca-PWB, and Li-PWB in comparison with PWB; Figure S2 Linear (column I, left) and polynomial (column II, right; C1) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Figure S3 Linear (column I, left) and polynomial (column II, right; C2) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Figure S4 Linear (column I, left) and polynomial (column II, right; C3) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Figure S5 Linear (column I, left) and polynomial (column II, right; C4) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Table S4 The results of lifetime measurements of pure matrixes and doped samples; Fig. S6 Emission spectra of: a PWA and b Ce-PWA excited at 320 nm; c Ce-PWA and d Pr-PWA under excitation at 376 nm at room temperature; Fig. S7 Excitation spectra of: a PWA; b Ce-PWA; c Pr-PWA emission observed at peak maxima ~ 430 nm at room temperature; Fig. S8 Decay profiles of: a PWB; b Ce-PWB; c Pr-PWB excited at 376 nm and measured at room temperature; Fig. S9 Decay profiles of: a PWA and b Ce-PWA excited at 320 nm; c Ce-PWA and d Pr-PWA excited at 376 nm, measured at room temperature; Fig. S10  The CIE chromaticity diagram of: a PWA (x = 0.167, y = 0.127) and b Ce-PWA (x= 1.175, y = 0.158) excited at 320 nm; c Ce-PWA(x = 0.165, y = 0.125) and d Pr-PWA (x = 0.158, y = 0.099) excited at 376 nm.
PB  - Elsevier B.V.
T2  - Optical Materials
T1  - Supplementary Materials for: "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, photoluminescent properties and behavior in Briggs-Rauscher reaction"
UR  - https://hdl.handle.net/21.15107/rcub_cer_6980
ER  - 
@misc{
author = "Maksimović, Tijana and Tančić, Pavle and Maksimović, Jelena and Mara, Dimitrije and Ilić, Marija and Van Deun, Rik and Joksović, Ljubinka and Pagnacco, Maja",
year = "2023",
abstract = "Fig. S1 FTIR spectrum of 6-PWA; Table S1 Observed inter-planar spacings (dobs, in Å) and intensities (Iobs, in %) of Ce-PWA and Pr-PWA, in comparison with 6-PWA and Ca-PWA; Table S2 Observed inter-planar spacings (dobs, in Å) and intensities (Iobs, in %) of Ce-PWB and Pr-PWB, in comparison with PWB, Ca-PWB, and Li-PWB; Table S3 Calculated inter-planar spacings (dcalc, in Å) of Ce-PWB, Pr-PWB, Ca-PWB, and Li-PWB in comparison with PWB; Figure S2 Linear (column I, left) and polynomial (column II, right; C1) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Figure S3 Linear (column I, left) and polynomial (column II, right; C2) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Figure S4 Linear (column I, left) and polynomial (column II, right; C3) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Figure S5 Linear (column I, left) and polynomial (column II, right; C4) variations of ionic radiuses (in Å) for Ce-PWB, Pr-PWB, Ca-PWB and Li-PWB bronzes by: a) axis a0 (in Å); b) axis b0 (in Å); c) axis c0 (in Å); d) angle β0 (in o); and e) volume V0 (in Å3); Table S4 The results of lifetime measurements of pure matrixes and doped samples; Fig. S6 Emission spectra of: a PWA and b Ce-PWA excited at 320 nm; c Ce-PWA and d Pr-PWA under excitation at 376 nm at room temperature; Fig. S7 Excitation spectra of: a PWA; b Ce-PWA; c Pr-PWA emission observed at peak maxima ~ 430 nm at room temperature; Fig. S8 Decay profiles of: a PWB; b Ce-PWB; c Pr-PWB excited at 376 nm and measured at room temperature; Fig. S9 Decay profiles of: a PWA and b Ce-PWA excited at 320 nm; c Ce-PWA and d Pr-PWA excited at 376 nm, measured at room temperature; Fig. S10  The CIE chromaticity diagram of: a PWA (x = 0.167, y = 0.127) and b Ce-PWA (x= 1.175, y = 0.158) excited at 320 nm; c Ce-PWA(x = 0.165, y = 0.125) and d Pr-PWA (x = 0.158, y = 0.099) excited at 376 nm.",
publisher = "Elsevier B.V.",
journal = "Optical Materials",
title = "Supplementary Materials for: "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, photoluminescent properties and behavior in Briggs-Rauscher reaction"",
url = "https://hdl.handle.net/21.15107/rcub_cer_6980"
}
Maksimović, T., Tančić, P., Maksimović, J., Mara, D., Ilić, M., Van Deun, R., Joksović, L.,& Pagnacco, M.. (2023). Supplementary Materials for: "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, photoluminescent properties and behavior in Briggs-Rauscher reaction". in Optical Materials
Elsevier B.V...
https://hdl.handle.net/21.15107/rcub_cer_6980
Maksimović T, Tančić P, Maksimović J, Mara D, Ilić M, Van Deun R, Joksović L, Pagnacco M. Supplementary Materials for: "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, photoluminescent properties and behavior in Briggs-Rauscher reaction". in Optical Materials. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6980 .
Maksimović, Tijana, Tančić, Pavle, Maksimović, Jelena, Mara, Dimitrije, Ilić, Marija, Van Deun, Rik, Joksović, Ljubinka, Pagnacco, Maja, "Supplementary Materials for: "Novel cerium and praseodymium doped phosphate tungsten bronzes: Synthesis, characterization, photoluminescent properties and behavior in Briggs-Rauscher reaction"" in Optical Materials (2023),
https://hdl.handle.net/21.15107/rcub_cer_6980 .

The comparison of two methods used to observe a nonlinear system: potentiometry and holography

Simović-Pavlović, Marina; Maksimović, Tijana; Maksimović, Jelena; Pagnacco, Maja

(Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac, 2023)

TY  - CONF
AU  - Simović-Pavlović, Marina
AU  - Maksimović, Tijana
AU  - Maksimović, Jelena
AU  - Pagnacco, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7364
AB  - The transition from state I ( characterized by low iodide and iodine concentration) to state II (high iodide and iodine concentration) occurs in a nonlinear Briggs-Rauscher (BR) oscillatory reaction. This transition was studied by two methods: potentiometric and holographic. The first derivative technique was applied to the obtained electrochemical and holographic curves of the transition state I→state II to obtain the corresponding slopes. Based on these slopes, the results of the two methods are compared. The obtained holographic slope for the transition from state I to state II is higher than the potentiometric one in all selected reaction sections. In the initial phase of the transition from state I to state II, it is clear that the velocity of the holographic method is twice that of the potentiometric method. While this trend shows a twofold increase at the beginning of the phase transition, it deviates in the other phases, where the holographic measurements show a 1.5-fold higher rate in the middle. The obtained results could have a strong impact on the study of nonlinear systems in the future.
PB  - Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac
C3  - 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia
T1  - The comparison of two methods used to observe a nonlinear system: potentiometry and holography
SP  - 164
EP  - 167
DO  - 10.46793/ICCBI23.164SP
ER  - 
@conference{
author = "Simović-Pavlović, Marina and Maksimović, Tijana and Maksimović, Jelena and Pagnacco, Maja",
year = "2023",
abstract = "The transition from state I ( characterized by low iodide and iodine concentration) to state II (high iodide and iodine concentration) occurs in a nonlinear Briggs-Rauscher (BR) oscillatory reaction. This transition was studied by two methods: potentiometric and holographic. The first derivative technique was applied to the obtained electrochemical and holographic curves of the transition state I→state II to obtain the corresponding slopes. Based on these slopes, the results of the two methods are compared. The obtained holographic slope for the transition from state I to state II is higher than the potentiometric one in all selected reaction sections. In the initial phase of the transition from state I to state II, it is clear that the velocity of the holographic method is twice that of the potentiometric method. While this trend shows a twofold increase at the beginning of the phase transition, it deviates in the other phases, where the holographic measurements show a 1.5-fold higher rate in the middle. The obtained results could have a strong impact on the study of nonlinear systems in the future.",
publisher = "Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac",
journal = "2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia",
title = "The comparison of two methods used to observe a nonlinear system: potentiometry and holography",
pages = "164-167",
doi = "10.46793/ICCBI23.164SP"
}
Simović-Pavlović, M., Maksimović, T., Maksimović, J.,& Pagnacco, M.. (2023). The comparison of two methods used to observe a nonlinear system: potentiometry and holography. in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia
Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac., 164-167.
https://doi.org/10.46793/ICCBI23.164SP
Simović-Pavlović M, Maksimović T, Maksimović J, Pagnacco M. The comparison of two methods used to observe a nonlinear system: potentiometry and holography. in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia. 2023;:164-167.
doi:10.46793/ICCBI23.164SP .
Simović-Pavlović, Marina, Maksimović, Tijana, Maksimović, Jelena, Pagnacco, Maja, "The comparison of two methods used to observe a nonlinear system: potentiometry and holography" in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia (2023):164-167,
https://doi.org/10.46793/ICCBI23.164SP . .

Comparison of the luminescence properties of phosphate-tungsten bronze and cerium doped phosphate-tungsten bronze

Maksimović, Tijana; Joksović, Ljubinka; Mara, Dimitrije; Van Deun, Rik; Nedić, Zoran; Simović-Pavlović, Marina; Pagnacco, Maja

(Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac, 2023)

TY  - CONF
AU  - Maksimović, Tijana
AU  - Joksović, Ljubinka
AU  - Mara, Dimitrije
AU  - Van Deun, Rik
AU  - Nedić, Zoran
AU  - Simović-Pavlović, Marina
AU  - Pagnacco, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7343
AB  - Phosphate-tungsten bronzes (PWBs) constantly attract a lot of attention owing to their interesting chemical, mechanical, and optical properties. Furthermore, tungsten bronzes as inert inorganic solids, exhibit interesting and useful electronic properties when rare-earth ions are incorporated into their structure. Cerium doped phosphate-tungsten bronze (Ce-PWB) is obtained in the process of phase transformations of CePW12O40×6H2O (Ce-PWA) salt. The brown crystals of Ce-PWB are formed after heating of Ce-PWA in a furnace, in a temperature range from room temperature to 650 °C. In the present paper the luminescence properties of undoped PWB and Ce-PWB are analyzed and compared. Regarding the characterized luminescence properties of PWB and Ce-PWB, only PWB matrix showed luminescence, while dopant Ce3+ had no significant influence on the change of the emission spectra with characteristic spectra for this ion. The obtained CIE chromaticity diagrams showed that both samples emit in the deep blue region, suggesting their possible use as a blue emitting source for white light-emitting diodes (LEDs).
PB  - Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac
C3  - 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia
T1  - Comparison of the luminescence properties of phosphate-tungsten bronze and cerium doped phosphate-tungsten bronze
SP  - 160
EP  - 163
DO  - 10.46793/ICCBI23.160M
ER  - 
@conference{
author = "Maksimović, Tijana and Joksović, Ljubinka and Mara, Dimitrije and Van Deun, Rik and Nedić, Zoran and Simović-Pavlović, Marina and Pagnacco, Maja",
year = "2023",
abstract = "Phosphate-tungsten bronzes (PWBs) constantly attract a lot of attention owing to their interesting chemical, mechanical, and optical properties. Furthermore, tungsten bronzes as inert inorganic solids, exhibit interesting and useful electronic properties when rare-earth ions are incorporated into their structure. Cerium doped phosphate-tungsten bronze (Ce-PWB) is obtained in the process of phase transformations of CePW12O40×6H2O (Ce-PWA) salt. The brown crystals of Ce-PWB are formed after heating of Ce-PWA in a furnace, in a temperature range from room temperature to 650 °C. In the present paper the luminescence properties of undoped PWB and Ce-PWB are analyzed and compared. Regarding the characterized luminescence properties of PWB and Ce-PWB, only PWB matrix showed luminescence, while dopant Ce3+ had no significant influence on the change of the emission spectra with characteristic spectra for this ion. The obtained CIE chromaticity diagrams showed that both samples emit in the deep blue region, suggesting their possible use as a blue emitting source for white light-emitting diodes (LEDs).",
publisher = "Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac",
journal = "2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia",
title = "Comparison of the luminescence properties of phosphate-tungsten bronze and cerium doped phosphate-tungsten bronze",
pages = "160-163",
doi = "10.46793/ICCBI23.160M"
}
Maksimović, T., Joksović, L., Mara, D., Van Deun, R., Nedić, Z., Simović-Pavlović, M.,& Pagnacco, M.. (2023). Comparison of the luminescence properties of phosphate-tungsten bronze and cerium doped phosphate-tungsten bronze. in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia
Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac., 160-163.
https://doi.org/10.46793/ICCBI23.160M
Maksimović T, Joksović L, Mara D, Van Deun R, Nedić Z, Simović-Pavlović M, Pagnacco M. Comparison of the luminescence properties of phosphate-tungsten bronze and cerium doped phosphate-tungsten bronze. in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia. 2023;:160-163.
doi:10.46793/ICCBI23.160M .
Maksimović, Tijana, Joksović, Ljubinka, Mara, Dimitrije, Van Deun, Rik, Nedić, Zoran, Simović-Pavlović, Marina, Pagnacco, Maja, "Comparison of the luminescence properties of phosphate-tungsten bronze and cerium doped phosphate-tungsten bronze" in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia (2023):160-163,
https://doi.org/10.46793/ICCBI23.160M . .

The investigation of chitin influence in laser induced deformation of butterfly wings

Maksimović, Tijana; Simović, Marina; Radulović, Sanja; Pagnacco, Maja

(Belgrade : Serbian Chemical Society, 2023)

TY  - CONF
AU  - Maksimović, Tijana
AU  - Simović, Marina
AU  - Radulović, Sanja
AU  - Pagnacco, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7351
AB  - The investigation of laser beam irradiation on different types of butterfly wings has been done previously by using the holographic method. The deformations due to the use of different laser wavelengths were observed. It is well-known that chitin is an abundant component of many complex structures in biological samples, such as butterfly wings. Consequently, as the influence of the chemical structure was taken into account, it was decided to examine the influence of chitin itself in laser-induced deformation in biological samples. Therefore, in this work, the same tests were performed on the film generated from chitin by using different wavelengths of laser. The results obtained strongly suggest that there are no effects of laser beam irradiation on chitin, indicating that chitin itself does not have an influence on the observed deformation of the butterfly wings. It was decided to make some additional measurements of such wings, which would be 
important for the further course of research in this direction. Some useful graphs were obtained by X-ray diffraction (XRD) and Fourier-Transform Infrared Spectroscopy (FTIR) measurements of particular butterfly wings. The obtained results contribute to a better knowledge of the structure and morphology and may have applications in the industry of artificial materials, especially polymers.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists’ Club
C3  - 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia
T1  - The investigation of chitin influence in laser induced deformation of butterfly wings
SP  - 60
EP  - 60
UR  - https://hdl.handle.net/21.15107/rcub_cer_7351
ER  - 
@conference{
author = "Maksimović, Tijana and Simović, Marina and Radulović, Sanja and Pagnacco, Maja",
year = "2023",
abstract = "The investigation of laser beam irradiation on different types of butterfly wings has been done previously by using the holographic method. The deformations due to the use of different laser wavelengths were observed. It is well-known that chitin is an abundant component of many complex structures in biological samples, such as butterfly wings. Consequently, as the influence of the chemical structure was taken into account, it was decided to examine the influence of chitin itself in laser-induced deformation in biological samples. Therefore, in this work, the same tests were performed on the film generated from chitin by using different wavelengths of laser. The results obtained strongly suggest that there are no effects of laser beam irradiation on chitin, indicating that chitin itself does not have an influence on the observed deformation of the butterfly wings. It was decided to make some additional measurements of such wings, which would be 
important for the further course of research in this direction. Some useful graphs were obtained by X-ray diffraction (XRD) and Fourier-Transform Infrared Spectroscopy (FTIR) measurements of particular butterfly wings. The obtained results contribute to a better knowledge of the structure and morphology and may have applications in the industry of artificial materials, especially polymers.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists’ Club",
journal = "9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia",
title = "The investigation of chitin influence in laser induced deformation of butterfly wings",
pages = "60-60",
url = "https://hdl.handle.net/21.15107/rcub_cer_7351"
}
Maksimović, T., Simović, M., Radulović, S.,& Pagnacco, M.. (2023). The investigation of chitin influence in laser induced deformation of butterfly wings. in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia
Belgrade : Serbian Chemical Society., 60-60.
https://hdl.handle.net/21.15107/rcub_cer_7351
Maksimović T, Simović M, Radulović S, Pagnacco M. The investigation of chitin influence in laser induced deformation of butterfly wings. in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia. 2023;:60-60.
https://hdl.handle.net/21.15107/rcub_cer_7351 .
Maksimović, Tijana, Simović, Marina, Radulović, Sanja, Pagnacco, Maja, "The investigation of chitin influence in laser induced deformation of butterfly wings" in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia (2023):60-60,
https://hdl.handle.net/21.15107/rcub_cer_7351 .

The synthesis, characterization, behavior in the Briggs-Rauscher reaction, and photoluminescence properties of newly created phosphate-tungsten bronzed doped with cerium and praseodymium

Maksimović, Tijana; Mara, Dimitrije; Simović-Pavlović, Marina; Pagnacco, Maja

(Belgrade : Serbian Chemical Society, 2023)

TY  - CONF
AU  - Maksimović, Tijana
AU  - Mara, Dimitrije
AU  - Simović-Pavlović, Marina
AU  - Pagnacco, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7344
AB  - Phosphate tungsten bronzes (PWBs), due to their intriguing and potentially valuable properties, have consistently garnered research attention [1]. In this study, we introduced two rare-earth metallic elements, namely cerium and praseodymium, as dopants for PWBs. This led to the successful synthesis of novel PWBs doped with cerium and praseodymium, which were subsequently subjected to various characterization techniques, including thermal analyses (TA), Fourier-transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRPD), scanning electron microscopy with energy-dispersive X-ray spectrometry (SEM-EDX), and hotoluminescence spectroscopy (PL). The behavior of cerium and praseodymium doped phosphate tungsten bronzes (Ce-PWB and Pr-PWB) [2], was investigated in the Briggs-Rauscher (BR) oscillatory reaction. The 
alterations in the oscillatory dynamics, brought about by the incorporation of cerium and praseodymium dopants, served as a means to distinguish between these bronzes. Additionally, this approach provided a method for assessing the catalytic properties of the bronzes. Apart from their nonlinear behavior, these bronzes also exhibited photoluminescence in the visible spectrum, specifically in the blue region.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists’ Club
C3  - 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia
T1  - The synthesis, characterization, behavior in the Briggs-Rauscher reaction, and photoluminescence properties of newly created phosphate-tungsten bronzed doped with cerium and praseodymium
SP  - 155
EP  - 155
UR  - https://hdl.handle.net/21.15107/rcub_cer_7344
ER  - 
@conference{
author = "Maksimović, Tijana and Mara, Dimitrije and Simović-Pavlović, Marina and Pagnacco, Maja",
year = "2023",
abstract = "Phosphate tungsten bronzes (PWBs), due to their intriguing and potentially valuable properties, have consistently garnered research attention [1]. In this study, we introduced two rare-earth metallic elements, namely cerium and praseodymium, as dopants for PWBs. This led to the successful synthesis of novel PWBs doped with cerium and praseodymium, which were subsequently subjected to various characterization techniques, including thermal analyses (TA), Fourier-transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRPD), scanning electron microscopy with energy-dispersive X-ray spectrometry (SEM-EDX), and hotoluminescence spectroscopy (PL). The behavior of cerium and praseodymium doped phosphate tungsten bronzes (Ce-PWB and Pr-PWB) [2], was investigated in the Briggs-Rauscher (BR) oscillatory reaction. The 
alterations in the oscillatory dynamics, brought about by the incorporation of cerium and praseodymium dopants, served as a means to distinguish between these bronzes. Additionally, this approach provided a method for assessing the catalytic properties of the bronzes. Apart from their nonlinear behavior, these bronzes also exhibited photoluminescence in the visible spectrum, specifically in the blue region.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists’ Club",
journal = "9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia",
title = "The synthesis, characterization, behavior in the Briggs-Rauscher reaction, and photoluminescence properties of newly created phosphate-tungsten bronzed doped with cerium and praseodymium",
pages = "155-155",
url = "https://hdl.handle.net/21.15107/rcub_cer_7344"
}
Maksimović, T., Mara, D., Simović-Pavlović, M.,& Pagnacco, M.. (2023). The synthesis, characterization, behavior in the Briggs-Rauscher reaction, and photoluminescence properties of newly created phosphate-tungsten bronzed doped with cerium and praseodymium. in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia
Belgrade : Serbian Chemical Society., 155-155.
https://hdl.handle.net/21.15107/rcub_cer_7344
Maksimović T, Mara D, Simović-Pavlović M, Pagnacco M. The synthesis, characterization, behavior in the Briggs-Rauscher reaction, and photoluminescence properties of newly created phosphate-tungsten bronzed doped with cerium and praseodymium. in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia. 2023;:155-155.
https://hdl.handle.net/21.15107/rcub_cer_7344 .
Maksimović, Tijana, Mara, Dimitrije, Simović-Pavlović, Marina, Pagnacco, Maja, "The synthesis, characterization, behavior in the Briggs-Rauscher reaction, and photoluminescence properties of newly created phosphate-tungsten bronzed doped with cerium and praseodymium" in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia (2023):155-155,
https://hdl.handle.net/21.15107/rcub_cer_7344 .

Temperature pattern measurements in Briggs-Rauscher oscillaotry reaction with state I to state II transition

Simović-Pavlović, Marina; Maksimović, Tijana; Maksimović, Jelena; Senćanski, Jelena; Radulović, Aleksandra; Pagnacco, Maja

(Faculty of Management Herceg Novi, 2023)

TY  - CONF
AU  - Simović-Pavlović, Marina
AU  - Maksimović, Tijana
AU  - Maksimović, Jelena
AU  - Senćanski, Jelena
AU  - Radulović, Aleksandra
AU  - Pagnacco, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7355
AB  - Thermal monitoring of a Briggs-Rauscher oscillatory reaction with a phase transition or  the state I (low concentration of iodide and iodine) to the state II (high concentration of  iodide and iodine) transition with formation of new solid iodine phase is presented. This  is the very first time that an oscillatory reaction and the state I to state II transition have  been monitored using a thermal camera. It should be pointed out, that the BR reaction  solution is not homogenized by stirring, and that only oxygen production influence the  solution mixing. Therefore, the analysis was done at three sampling points on the cuvette  where temperature change over time was observed, and compared with average  temperature distribution. The first point is chosen to correspond to the top of the solution  in the cuvette, followed by one in the middle of the volume and one at the very bottom of  the cuvette. Although the state I to the state II transition itself is not reproducible  (investigated transition exhibits crazy clock behavior), the overall temperature pattern has shown a reproducible character.
PB  - Faculty of Management Herceg Novi
C3  - Second International Conference on Advances in Science and Technology - COAST, Proceedings, 31 May - 03 June, Herzeg Novi, Montenegro
T1  - Temperature pattern measurements in Briggs-Rauscher oscillaotry reaction with state I to state II transition
SP  - 411
EP  - 416
UR  - https://hdl.handle.net/21.15107/rcub_cer_7355
ER  - 
@conference{
author = "Simović-Pavlović, Marina and Maksimović, Tijana and Maksimović, Jelena and Senćanski, Jelena and Radulović, Aleksandra and Pagnacco, Maja",
year = "2023",
abstract = "Thermal monitoring of a Briggs-Rauscher oscillatory reaction with a phase transition or  the state I (low concentration of iodide and iodine) to the state II (high concentration of  iodide and iodine) transition with formation of new solid iodine phase is presented. This  is the very first time that an oscillatory reaction and the state I to state II transition have  been monitored using a thermal camera. It should be pointed out, that the BR reaction  solution is not homogenized by stirring, and that only oxygen production influence the  solution mixing. Therefore, the analysis was done at three sampling points on the cuvette  where temperature change over time was observed, and compared with average  temperature distribution. The first point is chosen to correspond to the top of the solution  in the cuvette, followed by one in the middle of the volume and one at the very bottom of  the cuvette. Although the state I to the state II transition itself is not reproducible  (investigated transition exhibits crazy clock behavior), the overall temperature pattern has shown a reproducible character.",
publisher = "Faculty of Management Herceg Novi",
journal = "Second International Conference on Advances in Science and Technology - COAST, Proceedings, 31 May - 03 June, Herzeg Novi, Montenegro",
title = "Temperature pattern measurements in Briggs-Rauscher oscillaotry reaction with state I to state II transition",
pages = "411-416",
url = "https://hdl.handle.net/21.15107/rcub_cer_7355"
}
Simović-Pavlović, M., Maksimović, T., Maksimović, J., Senćanski, J., Radulović, A.,& Pagnacco, M.. (2023). Temperature pattern measurements in Briggs-Rauscher oscillaotry reaction with state I to state II transition. in Second International Conference on Advances in Science and Technology - COAST, Proceedings, 31 May - 03 June, Herzeg Novi, Montenegro
Faculty of Management Herceg Novi., 411-416.
https://hdl.handle.net/21.15107/rcub_cer_7355
Simović-Pavlović M, Maksimović T, Maksimović J, Senćanski J, Radulović A, Pagnacco M. Temperature pattern measurements in Briggs-Rauscher oscillaotry reaction with state I to state II transition. in Second International Conference on Advances in Science and Technology - COAST, Proceedings, 31 May - 03 June, Herzeg Novi, Montenegro. 2023;:411-416.
https://hdl.handle.net/21.15107/rcub_cer_7355 .
Simović-Pavlović, Marina, Maksimović, Tijana, Maksimović, Jelena, Senćanski, Jelena, Radulović, Aleksandra, Pagnacco, Maja, "Temperature pattern measurements in Briggs-Rauscher oscillaotry reaction with state I to state II transition" in Second International Conference on Advances in Science and Technology - COAST, Proceedings, 31 May - 03 June, Herzeg Novi, Montenegro (2023):411-416,
https://hdl.handle.net/21.15107/rcub_cer_7355 .

Relativistic DFT calculation and their effect on the accuracy of results

Radovanović, Marko; Filipović, Ignjat; Djukić, Maja; Ristić, Marija; Zlatar, Matija; Matović, Zoran

(Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac, 2023)

TY  - CONF
AU  - Radovanović, Marko
AU  - Filipović, Ignjat
AU  - Djukić, Maja
AU  - Ristić, Marija
AU  - Zlatar, Matija
AU  - Matović, Zoran
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6722
AB  - This study explores the significance of density functional theory (DFT) calculations with relativistic effects for two ethylenediaminetetraacetate (edta) type complexes: trans(O5)-[M(eddadp)]- (M = Rh3+, Co3+). Relativistic effects affect the electronic structure of a molecule and, thus, its chemical and spectroscopic properties. With the use of scalar relativistic corrections (SR-ZORA), as implemented in the ADF package, with the B3LYP functional, the TZP basis set and the COSMO solvation model, structural analyses show improved predictions for the geometries of both complexes. In the case of the Rh3+ complex, the differences in metal-ligand bond lengths with and without the relativistic effects were small. In the case of the Co3+ complex, the changes in metal-ligand bond lengths due to the relativistic effects were slightly more pronounced. Compared to experimental values, excitation energies are better when including relativistic corrections, especially for the Rh3+ complex. These results indicate the importance of relativistic DFT calculations for heavy element compounds.
PB  - Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac
C3  - 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia
T1  - Relativistic DFT calculation and their effect on the accuracy of results
SP  - 653
EP  - 656
DO  - 10.46793/ICCBI23.653R
ER  - 
@conference{
author = "Radovanović, Marko and Filipović, Ignjat and Djukić, Maja and Ristić, Marija and Zlatar, Matija and Matović, Zoran",
year = "2023",
abstract = "This study explores the significance of density functional theory (DFT) calculations with relativistic effects for two ethylenediaminetetraacetate (edta) type complexes: trans(O5)-[M(eddadp)]- (M = Rh3+, Co3+). Relativistic effects affect the electronic structure of a molecule and, thus, its chemical and spectroscopic properties. With the use of scalar relativistic corrections (SR-ZORA), as implemented in the ADF package, with the B3LYP functional, the TZP basis set and the COSMO solvation model, structural analyses show improved predictions for the geometries of both complexes. In the case of the Rh3+ complex, the differences in metal-ligand bond lengths with and without the relativistic effects were small. In the case of the Co3+ complex, the changes in metal-ligand bond lengths due to the relativistic effects were slightly more pronounced. Compared to experimental values, excitation energies are better when including relativistic corrections, especially for the Rh3+ complex. These results indicate the importance of relativistic DFT calculations for heavy element compounds.",
publisher = "Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac",
journal = "2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia",
title = "Relativistic DFT calculation and their effect on the accuracy of results",
pages = "653-656",
doi = "10.46793/ICCBI23.653R"
}
Radovanović, M., Filipović, I., Djukić, M., Ristić, M., Zlatar, M.,& Matović, Z.. (2023). Relativistic DFT calculation and their effect on the accuracy of results. in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia
Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac., 653-656.
https://doi.org/10.46793/ICCBI23.653R
Radovanović M, Filipović I, Djukić M, Ristić M, Zlatar M, Matović Z. Relativistic DFT calculation and their effect on the accuracy of results. in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia. 2023;:653-656.
doi:10.46793/ICCBI23.653R .
Radovanović, Marko, Filipović, Ignjat, Djukić, Maja, Ristić, Marija, Zlatar, Matija, Matović, Zoran, "Relativistic DFT calculation and their effect on the accuracy of results" in 2nd International Conference on Chemo and  Bioinformatics - Book of proceedings,  September 28-29, 2023. Kragujevac, Serbia (2023):653-656,
https://doi.org/10.46793/ICCBI23.653R . .

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

Docking studies, cytotoxicity evaluation and interactions of binuclear copper(ii) complexes with s-isoalkyl derivatives of thiosalicylic acid with some relevant biomolecules

Dimitrijević, Jelena; Solovjova, Natalija; Bukonjić, Andriana M.; Tomović, Dušan Lj.; Milinković, Mirjana; Caković, Angelina; Bogojeski, Jovana; Ratković, Zoran R.; Janjić, Goran; Rakić, Aleksandra; Arsenijević, Nebojša N.; Milovanović, Marija Z.; Milovanović, Jelena Z.; Radić, Gordana P.; Jevtić, Verica V.

(MDPI, 2023)

TY  - JOUR
AU  - Dimitrijević, Jelena
AU  - Solovjova, Natalija
AU  - Bukonjić, Andriana M.
AU  - Tomović, Dušan Lj.
AU  - Milinković, Mirjana
AU  - Caković, Angelina
AU  - Bogojeski, Jovana
AU  - Ratković, Zoran R.
AU  - Janjić, Goran
AU  - Rakić, Aleksandra
AU  - Arsenijević, Nebojša N.
AU  - Milovanović, Marija Z.
AU  - Milovanović, Jelena Z.
AU  - Radić, Gordana P.
AU  - Jevtić, Verica V.
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7060
AB  - The numerous side effects of platinum based chemotherapy has led to the design of new therapeutics with platinum replaced by another transition metal. Here, we investigated the interactions of previously reported copper(II) complexes containing S-isoalkyl derivatives, the salicylic acid with guanosine-5′-monophosphate and calf thymus DNA (CT-DNA) and their antitumor effects, in a colon carcinoma model. All three copper(II) complexes exhibited an affinity for binding to CT-DNA, but there was no indication of intercalation or the displacement of ethidium bromide. Molecular docking studies revealed a significant affinity of the complexes for binding to the minor groove of B-form DNA, which coincided with DNA elongation, and a higher affinity for binding to Z-form DNA, supporting the hypothesis that the complex binding to CT-DNA induces a local transition from B-form to Z-form DNA. These complexes show a moderate, but selective cytotoxic effect toward colon cancer cells in vitro. Binuclear complex of copper(II) with S-isoamyl derivative of thiosalicylic acid showed the highest cytotoxic effect, arrested tumor cells in the G2/M phase of the cell cycle, and significantly reduced the expression of inflammatory molecules pro-IL-1β, TNF-α, ICAM-1, and VCAM-1 in the tissue of primary heterotopic murine colon cancer, which was accompanied by a significantly reduced tumor growth and metastases in the lung and liver.
PB  - MDPI
T2  - International Journal of Molecular Sciences
T1  - Docking studies, cytotoxicity evaluation and interactions of binuclear copper(ii) complexes with s-isoalkyl derivatives of thiosalicylic acid with some relevant biomolecules
VL  - 24
IS  - 15
SP  - 12504
DO  - 10.3390/ijms241512504
ER  - 
@article{
author = "Dimitrijević, Jelena and Solovjova, Natalija and Bukonjić, Andriana M. and Tomović, Dušan Lj. and Milinković, Mirjana and Caković, Angelina and Bogojeski, Jovana and Ratković, Zoran R. and Janjić, Goran and Rakić, Aleksandra and Arsenijević, Nebojša N. and Milovanović, Marija Z. and Milovanović, Jelena Z. and Radić, Gordana P. and Jevtić, Verica V.",
year = "2023",
abstract = "The numerous side effects of platinum based chemotherapy has led to the design of new therapeutics with platinum replaced by another transition metal. Here, we investigated the interactions of previously reported copper(II) complexes containing S-isoalkyl derivatives, the salicylic acid with guanosine-5′-monophosphate and calf thymus DNA (CT-DNA) and their antitumor effects, in a colon carcinoma model. All three copper(II) complexes exhibited an affinity for binding to CT-DNA, but there was no indication of intercalation or the displacement of ethidium bromide. Molecular docking studies revealed a significant affinity of the complexes for binding to the minor groove of B-form DNA, which coincided with DNA elongation, and a higher affinity for binding to Z-form DNA, supporting the hypothesis that the complex binding to CT-DNA induces a local transition from B-form to Z-form DNA. These complexes show a moderate, but selective cytotoxic effect toward colon cancer cells in vitro. Binuclear complex of copper(II) with S-isoamyl derivative of thiosalicylic acid showed the highest cytotoxic effect, arrested tumor cells in the G2/M phase of the cell cycle, and significantly reduced the expression of inflammatory molecules pro-IL-1β, TNF-α, ICAM-1, and VCAM-1 in the tissue of primary heterotopic murine colon cancer, which was accompanied by a significantly reduced tumor growth and metastases in the lung and liver.",
publisher = "MDPI",
journal = "International Journal of Molecular Sciences",
title = "Docking studies, cytotoxicity evaluation and interactions of binuclear copper(ii) complexes with s-isoalkyl derivatives of thiosalicylic acid with some relevant biomolecules",
volume = "24",
number = "15",
pages = "12504",
doi = "10.3390/ijms241512504"
}
Dimitrijević, J., Solovjova, N., Bukonjić, A. M., Tomović, D. Lj., Milinković, M., Caković, A., Bogojeski, J., Ratković, Z. R., Janjić, G., Rakić, A., Arsenijević, N. N., Milovanović, M. Z., Milovanović, J. Z., Radić, G. P.,& Jevtić, V. V.. (2023). Docking studies, cytotoxicity evaluation and interactions of binuclear copper(ii) complexes with s-isoalkyl derivatives of thiosalicylic acid with some relevant biomolecules. in International Journal of Molecular Sciences
MDPI., 24(15), 12504.
https://doi.org/10.3390/ijms241512504
Dimitrijević J, Solovjova N, Bukonjić AM, Tomović DL, Milinković M, Caković A, Bogojeski J, Ratković ZR, Janjić G, Rakić A, Arsenijević NN, Milovanović MZ, Milovanović JZ, Radić GP, Jevtić VV. Docking studies, cytotoxicity evaluation and interactions of binuclear copper(ii) complexes with s-isoalkyl derivatives of thiosalicylic acid with some relevant biomolecules. in International Journal of Molecular Sciences. 2023;24(15):12504.
doi:10.3390/ijms241512504 .
Dimitrijević, Jelena, Solovjova, Natalija, Bukonjić, Andriana M., Tomović, Dušan Lj., Milinković, Mirjana, Caković, Angelina, Bogojeski, Jovana, Ratković, Zoran R., Janjić, Goran, Rakić, Aleksandra, Arsenijević, Nebojša N., Milovanović, Marija Z., Milovanović, Jelena Z., Radić, Gordana P., Jevtić, Verica V., "Docking studies, cytotoxicity evaluation and interactions of binuclear copper(ii) complexes with s-isoalkyl derivatives of thiosalicylic acid with some relevant biomolecules" in International Journal of Molecular Sciences, 24, no. 15 (2023):12504,
https://doi.org/10.3390/ijms241512504 . .
1

Dinuclear platinum(II) complexes with 1,5-nphe bridging ligand: Spectroscopic and molecular docking study of the interactions with N-acetylated L-methionylglycine and human serum albumin

Konovalov, Bata; Đorđević, Ivana; Franich, Andjela A.; Šmit, Biljana; Živković, Marija D.; Djuran, Miloš I.; Janjić, Goran; Rajković, Snežana

(Elsevier, 2023)

TY  - JOUR
AU  - Konovalov, Bata
AU  - Đorđević, Ivana
AU  - Franich, Andjela A.
AU  - Šmit, Biljana
AU  - Živković, Marija D.
AU  - Djuran, Miloš I.
AU  - Janjić, Goran
AU  - Rajković, Snežana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7061
AB  - The hydrolysis of N-acetylated L-methionylglycine dipeptide (Ac-L-Met-Gly) in the presence of dinuclear platinum(II)-aqua complexes with general formula [{Pt(L)(H2O)}2(μ-1,5-nphe)]4+ (1,5-nphe is 1,5-naphthyridine; L is bidentately coordinated ethylenediamine (1w), (±)-1,2-propylenediamine (2w) and 1,3-propylenediamine (3w)) is described in detail. The hydrolytic activity of these complexes was monitored by 1H NMR spectroscopy, which confirmed the regioselective cleavage of the Met-Gly-amide bond in this peptide. Quantum-chemical calculations revealed the primary reaction path with coordination of dipeptide via the terminal amide nitrogen of methionine followed by its coordination for the sulphur atom, in which the decomposition of the resulted platinum(II)-dipeptide complex and the coordination of its glycine residue precedes the hydrolytic cleavage of the Met-Gly amide bond. In the secondary reaction path, in which Ac-L-Met-Gly is coordinated via the methionine sulphur atom, the decomposition of the starting [{Pt(L)(H2O)}2(μ-1,5-nphe)]4+ complex is followed by the regioselective hydrolysis of the investigated dipeptide. The binding affinity of the chloride derivatives of the corresponding dinuclear platinum(II)-aqua complexes, [{Pt(L)Cl}2(μ-1,5-nphe)]2+ (1–3) towards the human serum albumin (HSA), a transport protein, was investigated using electronic absorption and fluorescence emission measurements, and results indicated the static interactions between these complexes and HSA. A docking study revealed a unique binding site on HSA, based on the electrostatic and the hydrogen bonding, which does not have a methionine residue nearby, therefore does not exist danger of HSA hydrolysis by these complexes.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Dinuclear platinum(II) complexes with 1,5-nphe bridging ligand: Spectroscopic and molecular docking study of the interactions with N-acetylated L-methionylglycine and human serum albumin
VL  - 1288
SP  - 135810
DO  - 10.1016/j.molstruc.2023.135810
ER  - 
@article{
author = "Konovalov, Bata and Đorđević, Ivana and Franich, Andjela A. and Šmit, Biljana and Živković, Marija D. and Djuran, Miloš I. and Janjić, Goran and Rajković, Snežana",
year = "2023",
abstract = "The hydrolysis of N-acetylated L-methionylglycine dipeptide (Ac-L-Met-Gly) in the presence of dinuclear platinum(II)-aqua complexes with general formula [{Pt(L)(H2O)}2(μ-1,5-nphe)]4+ (1,5-nphe is 1,5-naphthyridine; L is bidentately coordinated ethylenediamine (1w), (±)-1,2-propylenediamine (2w) and 1,3-propylenediamine (3w)) is described in detail. The hydrolytic activity of these complexes was monitored by 1H NMR spectroscopy, which confirmed the regioselective cleavage of the Met-Gly-amide bond in this peptide. Quantum-chemical calculations revealed the primary reaction path with coordination of dipeptide via the terminal amide nitrogen of methionine followed by its coordination for the sulphur atom, in which the decomposition of the resulted platinum(II)-dipeptide complex and the coordination of its glycine residue precedes the hydrolytic cleavage of the Met-Gly amide bond. In the secondary reaction path, in which Ac-L-Met-Gly is coordinated via the methionine sulphur atom, the decomposition of the starting [{Pt(L)(H2O)}2(μ-1,5-nphe)]4+ complex is followed by the regioselective hydrolysis of the investigated dipeptide. The binding affinity of the chloride derivatives of the corresponding dinuclear platinum(II)-aqua complexes, [{Pt(L)Cl}2(μ-1,5-nphe)]2+ (1–3) towards the human serum albumin (HSA), a transport protein, was investigated using electronic absorption and fluorescence emission measurements, and results indicated the static interactions between these complexes and HSA. A docking study revealed a unique binding site on HSA, based on the electrostatic and the hydrogen bonding, which does not have a methionine residue nearby, therefore does not exist danger of HSA hydrolysis by these complexes.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Dinuclear platinum(II) complexes with 1,5-nphe bridging ligand: Spectroscopic and molecular docking study of the interactions with N-acetylated L-methionylglycine and human serum albumin",
volume = "1288",
pages = "135810",
doi = "10.1016/j.molstruc.2023.135810"
}
Konovalov, B., Đorđević, I., Franich, A. A., Šmit, B., Živković, M. D., Djuran, M. I., Janjić, G.,& Rajković, S.. (2023). Dinuclear platinum(II) complexes with 1,5-nphe bridging ligand: Spectroscopic and molecular docking study of the interactions with N-acetylated L-methionylglycine and human serum albumin. in Journal of Molecular Structure
Elsevier., 1288, 135810.
https://doi.org/10.1016/j.molstruc.2023.135810
Konovalov B, Đorđević I, Franich AA, Šmit B, Živković MD, Djuran MI, Janjić G, Rajković S. Dinuclear platinum(II) complexes with 1,5-nphe bridging ligand: Spectroscopic and molecular docking study of the interactions with N-acetylated L-methionylglycine and human serum albumin. in Journal of Molecular Structure. 2023;1288:135810.
doi:10.1016/j.molstruc.2023.135810 .
Konovalov, Bata, Đorđević, Ivana, Franich, Andjela A., Šmit, Biljana, Živković, Marija D., Djuran, Miloš I., Janjić, Goran, Rajković, Snežana, "Dinuclear platinum(II) complexes with 1,5-nphe bridging ligand: Spectroscopic and molecular docking study of the interactions with N-acetylated L-methionylglycine and human serum albumin" in Journal of Molecular Structure, 1288 (2023):135810,
https://doi.org/10.1016/j.molstruc.2023.135810 . .

The behavior of cerium doped phosphate tungsten bronze in Briggs-Rauscher oscillatory reaction

Maksimović, Tijana; Joksović, Ljubinka; Maksimović, Jelena; Tančić, Pavle; Nedić, Zoran; Pagnacco, Maja

(Serbian Ceramic Society, 2022)

TY  - CONF
AU  - Maksimović, Tijana
AU  - Joksović, Ljubinka
AU  - Maksimović, Jelena
AU  - Tančić, Pavle
AU  - Nedić, Zoran
AU  - Pagnacco, Maja
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5974
AB  - The Briggs-Rauscher (BR) reaction is an oscillating reaction in which the oxidation of malonic acid (CH2(COOH)2) in the presence of hydrogen peroxide (H2O2) and potassium iodate (KIO3) is catalyzed with a metal ion (usually Mn2+) in acidic aqueous solution. The BR reaction is very sensitive to the addition of different types of analytes. Every change in oscillatory dynamics, caused by analyte addition, can be used for the appraisal of analyte concentration, as well as its potential antiradical or catalytic activity. The cerium doped phosphate tungsten bronze (Ce-PWB) was obtained by thermal treatment and characterized by TGA, DSC, FTIR, and XRPD technics. In this work, the behavior of Ce-PWB and its influence on BR oscillatory dynamics was examined. The results revealed that an increase in the mass of added Ce-PWB has slightly shortened the oscillation time duration with the minimal change in the form of the basic BR oscillogram, suggesting the catalytic effect of this bronze in oscillatory reaction
PB  - Serbian Ceramic Society
C3  - Program and the book of abstracts - Serbian Ceramic Society Conference – Advanced Ceramics and Application X, 26-27th September 2022, Belgrade, Serbia
T1  - The behavior of cerium doped phosphate tungsten bronze in Briggs-Rauscher oscillatory reaction
SP  - 71
EP  - 71
UR  - https://hdl.handle.net/21.15107/rcub_cer_5974
ER  - 
@conference{
author = "Maksimović, Tijana and Joksović, Ljubinka and Maksimović, Jelena and Tančić, Pavle and Nedić, Zoran and Pagnacco, Maja",
year = "2022",
abstract = "The Briggs-Rauscher (BR) reaction is an oscillating reaction in which the oxidation of malonic acid (CH2(COOH)2) in the presence of hydrogen peroxide (H2O2) and potassium iodate (KIO3) is catalyzed with a metal ion (usually Mn2+) in acidic aqueous solution. The BR reaction is very sensitive to the addition of different types of analytes. Every change in oscillatory dynamics, caused by analyte addition, can be used for the appraisal of analyte concentration, as well as its potential antiradical or catalytic activity. The cerium doped phosphate tungsten bronze (Ce-PWB) was obtained by thermal treatment and characterized by TGA, DSC, FTIR, and XRPD technics. In this work, the behavior of Ce-PWB and its influence on BR oscillatory dynamics was examined. The results revealed that an increase in the mass of added Ce-PWB has slightly shortened the oscillation time duration with the minimal change in the form of the basic BR oscillogram, suggesting the catalytic effect of this bronze in oscillatory reaction",
publisher = "Serbian Ceramic Society",
journal = "Program and the book of abstracts - Serbian Ceramic Society Conference – Advanced Ceramics and Application X, 26-27th September 2022, Belgrade, Serbia",
title = "The behavior of cerium doped phosphate tungsten bronze in Briggs-Rauscher oscillatory reaction",
pages = "71-71",
url = "https://hdl.handle.net/21.15107/rcub_cer_5974"
}
Maksimović, T., Joksović, L., Maksimović, J., Tančić, P., Nedić, Z.,& Pagnacco, M.. (2022). The behavior of cerium doped phosphate tungsten bronze in Briggs-Rauscher oscillatory reaction. in Program and the book of abstracts - Serbian Ceramic Society Conference – Advanced Ceramics and Application X, 26-27th September 2022, Belgrade, Serbia
Serbian Ceramic Society., 71-71.
https://hdl.handle.net/21.15107/rcub_cer_5974
Maksimović T, Joksović L, Maksimović J, Tančić P, Nedić Z, Pagnacco M. The behavior of cerium doped phosphate tungsten bronze in Briggs-Rauscher oscillatory reaction. in Program and the book of abstracts - Serbian Ceramic Society Conference – Advanced Ceramics and Application X, 26-27th September 2022, Belgrade, Serbia. 2022;:71-71.
https://hdl.handle.net/21.15107/rcub_cer_5974 .
Maksimović, Tijana, Joksović, Ljubinka, Maksimović, Jelena, Tančić, Pavle, Nedić, Zoran, Pagnacco, Maja, "The behavior of cerium doped phosphate tungsten bronze in Briggs-Rauscher oscillatory reaction" in Program and the book of abstracts - Serbian Ceramic Society Conference – Advanced Ceramics and Application X, 26-27th September 2022, Belgrade, Serbia (2022):71-71,
https://hdl.handle.net/21.15107/rcub_cer_5974 .

Synthesis of new praseodymium doped phosphate tungsten bronze

Maksimović, Tijana; Maksimović, Jelena; Tančić, Pavle; Pagnacco, Maja

(Belgrade : Serbian Chemical Society, 2022)

TY  - CONF
AU  - Maksimović, Tijana
AU  - Maksimović, Jelena
AU  - Tančić, Pavle
AU  - Pagnacco, Maja
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6003
AB  - For the preparation of praseodymium doped phosphate tungsten bronze (Pr-PWB), as a
starting material is used 12-tungstophosphoric heteropoly acid H3PW12O40×29H2O
(PWA) [1]. PWA was first converted into H3PW12O40×6H2O (6-PWA) by heating it to
80 °C in a kiln. The aqueous PrCl3×H2O solution was prepared by dissolving 0.7102 g
of PrCl3×H2O in distilled water. This solution is then mixed with aqueous solution of 6-
PWA, slightly heated in order to start the crystallization process and left overnight to
finish the crystallization. The produced greenish crystals of praseodymium doped
phosphate tungsten bronze are created by heating the obtained salt PrPW12O40×nH2O in
a furnace from room temperature to 600 °C. The conditions for thermal phase
transformation of praseodymium salt of 12-tungstophosphoric heteropoly acid to
produce new praseodymium phosphate tungsten bronze, have been investigated in the
current work. The new material (Pr-PWB), synthesized from Keggin's anion structure as
a precursor, is successfully formed. The potential practical application of Pr-PWB is in
its installation in batteries and fuel cells, as a catalyst, and due to its specific green color
it could also be used as a pigment.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists’ Club
C3  - Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia
T1  - Synthesis of new praseodymium doped phosphate tungsten bronze
SP  - 90
EP  - 90
UR  - https://hdl.handle.net/21.15107/rcub_cer_6003
ER  - 
@conference{
author = "Maksimović, Tijana and Maksimović, Jelena and Tančić, Pavle and Pagnacco, Maja",
year = "2022",
abstract = "For the preparation of praseodymium doped phosphate tungsten bronze (Pr-PWB), as a
starting material is used 12-tungstophosphoric heteropoly acid H3PW12O40×29H2O
(PWA) [1]. PWA was first converted into H3PW12O40×6H2O (6-PWA) by heating it to
80 °C in a kiln. The aqueous PrCl3×H2O solution was prepared by dissolving 0.7102 g
of PrCl3×H2O in distilled water. This solution is then mixed with aqueous solution of 6-
PWA, slightly heated in order to start the crystallization process and left overnight to
finish the crystallization. The produced greenish crystals of praseodymium doped
phosphate tungsten bronze are created by heating the obtained salt PrPW12O40×nH2O in
a furnace from room temperature to 600 °C. The conditions for thermal phase
transformation of praseodymium salt of 12-tungstophosphoric heteropoly acid to
produce new praseodymium phosphate tungsten bronze, have been investigated in the
current work. The new material (Pr-PWB), synthesized from Keggin's anion structure as
a precursor, is successfully formed. The potential practical application of Pr-PWB is in
its installation in batteries and fuel cells, as a catalyst, and due to its specific green color
it could also be used as a pigment.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists’ Club",
journal = "Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia",
title = "Synthesis of new praseodymium doped phosphate tungsten bronze",
pages = "90-90",
url = "https://hdl.handle.net/21.15107/rcub_cer_6003"
}
Maksimović, T., Maksimović, J., Tančić, P.,& Pagnacco, M.. (2022). Synthesis of new praseodymium doped phosphate tungsten bronze. in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia
Belgrade : Serbian Chemical Society., 90-90.
https://hdl.handle.net/21.15107/rcub_cer_6003
Maksimović T, Maksimović J, Tančić P, Pagnacco M. Synthesis of new praseodymium doped phosphate tungsten bronze. in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia. 2022;:90-90.
https://hdl.handle.net/21.15107/rcub_cer_6003 .
Maksimović, Tijana, Maksimović, Jelena, Tančić, Pavle, Pagnacco, Maja, "Synthesis of new praseodymium doped phosphate tungsten bronze" in Book of Abstracts - 8th Conference of Young Chemists of Serbia, 29th October 2022, Belgrade, Serbia (2022):90-90,
https://hdl.handle.net/21.15107/rcub_cer_6003 .

Cobalt(II) and magnesium(II) complexes with 1,3-pdta-type of ligands: influence of an alkyl substituent at 1,3-propanediamine chain on the structural and antimicrobial properties of the complex

Gitarić, Jelena; Stanojević, Ivana; Radanović, Dušanka; Crochet, Aurélien; Ašanin, Darko; Janković, Vukašin; Skaro-Bogojević, Sanja; Đuran, Miloš; Glišić, Biljana

(Taylor &Francis, 2022)

TY  - JOUR
AU  - Gitarić, Jelena
AU  - Stanojević, Ivana
AU  - Radanović, Dušanka
AU  - Crochet, Aurélien
AU  - Ašanin, Darko
AU  - Janković, Vukašin
AU  - Skaro-Bogojević, Sanja
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5322
AB  - To investigate how modification in the structure of 1,3-propanediamine chain of 1,3-pdta (1,3-propanediamine-N,N,N′,N′-tetraacetate) ligand affects the structural and biological properties of the corresponding metal complexes, two new octahedral complexes, [Co(H2O)5Co(2,2-diMe-1,3-pdta)]·H2O (1) and [Mg(H2O)5Mg(2,2-diMe-1,3-pdta)]·1.5H2O (2) (2,2-diMe-1,3-pdta = 2,2-dimethyl-1,3-propanediamine-N,N,N′,N′-tetraacetate), were synthesized and characterized by IR spectroscopy and single-crystal X-ray diffraction analysis. Additionally, UV-Vis and NMR spectroscopic methods were applied for the characterization of 1 and 2, respectively. Crystallographic data indicate that these complexes contain 2,2-diMe-1,3-pdta coordinated to the metal ion through 2 N and 4 O atoms forming [M(H2O)5M′(2,2-diMe-1,3-pdta)] complex unit (M, M′ = Co(II), Co(II) (1) and M, M′ = Mg(II), Mg(II) (2)), which is composed of [M′(2,2-diMe-1,3-pdta)]2− and [M(H2O)5O]2+ octahedra bridged by one of the axial carboxylate groups. The antimicrobial activities of 1 and 2 were evaluated against different bacteria and Candida spp., while their cytotoxic effect was tested on the normal human lung fibroblasts (MRC-5). The ability of 1 and 2 to inhibit formation of C. glabrata biofilms was also assessed. The obtained structural parameters and biological properties of the two complexes were compared to Co(II) and Mg(II) complexes with 1,3-pdta ligand.
PB  - Taylor &Francis
T2  - Journal of Coordination Chemistry
T1  - Cobalt(II) and magnesium(II) complexes with 1,3-pdta-type of ligands: influence of an alkyl substituent at 1,3-propanediamine chain on the structural and antimicrobial properties of the complex
VL  - 75
IS  - 11-14
SP  - 1899
EP  - 1914
DO  - 10.1080/00958972.2022.2101365
ER  - 
@article{
author = "Gitarić, Jelena and Stanojević, Ivana and Radanović, Dušanka and Crochet, Aurélien and Ašanin, Darko and Janković, Vukašin and Skaro-Bogojević, Sanja and Đuran, Miloš and Glišić, Biljana",
year = "2022",
abstract = "To investigate how modification in the structure of 1,3-propanediamine chain of 1,3-pdta (1,3-propanediamine-N,N,N′,N′-tetraacetate) ligand affects the structural and biological properties of the corresponding metal complexes, two new octahedral complexes, [Co(H2O)5Co(2,2-diMe-1,3-pdta)]·H2O (1) and [Mg(H2O)5Mg(2,2-diMe-1,3-pdta)]·1.5H2O (2) (2,2-diMe-1,3-pdta = 2,2-dimethyl-1,3-propanediamine-N,N,N′,N′-tetraacetate), were synthesized and characterized by IR spectroscopy and single-crystal X-ray diffraction analysis. Additionally, UV-Vis and NMR spectroscopic methods were applied for the characterization of 1 and 2, respectively. Crystallographic data indicate that these complexes contain 2,2-diMe-1,3-pdta coordinated to the metal ion through 2 N and 4 O atoms forming [M(H2O)5M′(2,2-diMe-1,3-pdta)] complex unit (M, M′ = Co(II), Co(II) (1) and M, M′ = Mg(II), Mg(II) (2)), which is composed of [M′(2,2-diMe-1,3-pdta)]2− and [M(H2O)5O]2+ octahedra bridged by one of the axial carboxylate groups. The antimicrobial activities of 1 and 2 were evaluated against different bacteria and Candida spp., while their cytotoxic effect was tested on the normal human lung fibroblasts (MRC-5). The ability of 1 and 2 to inhibit formation of C. glabrata biofilms was also assessed. The obtained structural parameters and biological properties of the two complexes were compared to Co(II) and Mg(II) complexes with 1,3-pdta ligand.",
publisher = "Taylor &Francis",
journal = "Journal of Coordination Chemistry",
title = "Cobalt(II) and magnesium(II) complexes with 1,3-pdta-type of ligands: influence of an alkyl substituent at 1,3-propanediamine chain on the structural and antimicrobial properties of the complex",
volume = "75",
number = "11-14",
pages = "1899-1914",
doi = "10.1080/00958972.2022.2101365"
}
Gitarić, J., Stanojević, I., Radanović, D., Crochet, A., Ašanin, D., Janković, V., Skaro-Bogojević, S., Đuran, M.,& Glišić, B.. (2022). Cobalt(II) and magnesium(II) complexes with 1,3-pdta-type of ligands: influence of an alkyl substituent at 1,3-propanediamine chain on the structural and antimicrobial properties of the complex. in Journal of Coordination Chemistry
Taylor &Francis., 75(11-14), 1899-1914.
https://doi.org/10.1080/00958972.2022.2101365
Gitarić J, Stanojević I, Radanović D, Crochet A, Ašanin D, Janković V, Skaro-Bogojević S, Đuran M, Glišić B. Cobalt(II) and magnesium(II) complexes with 1,3-pdta-type of ligands: influence of an alkyl substituent at 1,3-propanediamine chain on the structural and antimicrobial properties of the complex. in Journal of Coordination Chemistry. 2022;75(11-14):1899-1914.
doi:10.1080/00958972.2022.2101365 .
Gitarić, Jelena, Stanojević, Ivana, Radanović, Dušanka, Crochet, Aurélien, Ašanin, Darko, Janković, Vukašin, Skaro-Bogojević, Sanja, Đuran, Miloš, Glišić, Biljana, "Cobalt(II) and magnesium(II) complexes with 1,3-pdta-type of ligands: influence of an alkyl substituent at 1,3-propanediamine chain on the structural and antimicrobial properties of the complex" in Journal of Coordination Chemistry, 75, no. 11-14 (2022):1899-1914,
https://doi.org/10.1080/00958972.2022.2101365 . .
1

Dinuclear platinum(II) complexes as the pattern for phosphate backbone binding: a new perspective for recognition of binding modes to DNA

Franich, Andjela; Đorđević, Ivana S.; Živković, Marija D.; Rajković, Snežana; Janjić, Goran; Đuran, Miloš

(Springer, 2022)

TY  - JOUR
AU  - Franich, Andjela
AU  - Đorđević, Ivana S.
AU  - Živković, Marija D.
AU  - Rajković, Snežana
AU  - Janjić, Goran
AU  - Đuran, Miloš
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4832
AB  - The mechanism of action of most approved drugs in use today is based on their binding to specific proteins or DNA. One
of the achievements of this research is a new perspective for recognition of binding modes to DNA by monitoring of
changes in measured and stoichiometric values of absorbance at 260 nm. UV–Vis and IR spectroscopy, gel electrophoresis
and docking study were used for investigation of binding properties of three dinuclear platinum(II) complexes containing
different pyridine-based bridging ligands, [{Pt(en)Cl}2(μ-4,4’-bipy)]Cl2・2H2O (Pt1), [{Pt(en)Cl}2(μ-bpa)]Cl2・4H2O (Pt2)
and [{Pt(en)Cl}2(μ-bpe)]Cl2・4H2O (Pt3) to DNA (4,4’-bipy, bpa and bpe are 4,4′-bipyridine, 1,2-bis(4-pyridyl)ethane and
1,2-bis(4-pyridyl)ethene, respectively). In contrast to the system with well-known intercalated ligand (EtBr), covalently bound
ligand (cis-Pt) and with minor groove binder (Hoechst 33258), which do not have significant differences in measured and
stoichiometric values, the most pronounced deviations are recorded for two dinuclear platinum(II) complexes (Pt1 and Pt2),
as a consequence of complex binding to the phosphate backbone and bending of DNA helix. The hydrolysis of complexes
and changes in DNA conformation were also analysed as phenomena that may have an impact on the changes in absorbance.
PB  - Springer
T2  - Journal of Biological Inorganic Chemistry
T1  - Dinuclear platinum(II) complexes as the pattern for phosphate backbone binding: a new perspective for recognition of binding modes to DNA
VL  - 27
SP  - 65
EP  - 79
DO  - 10.1007/s00775-021-01911-6
ER  - 
@article{
author = "Franich, Andjela and Đorđević, Ivana S. and Živković, Marija D. and Rajković, Snežana and Janjić, Goran and Đuran, Miloš",
year = "2022",
abstract = "The mechanism of action of most approved drugs in use today is based on their binding to specific proteins or DNA. One
of the achievements of this research is a new perspective for recognition of binding modes to DNA by monitoring of
changes in measured and stoichiometric values of absorbance at 260 nm. UV–Vis and IR spectroscopy, gel electrophoresis
and docking study were used for investigation of binding properties of three dinuclear platinum(II) complexes containing
different pyridine-based bridging ligands, [{Pt(en)Cl}2(μ-4,4’-bipy)]Cl2・2H2O (Pt1), [{Pt(en)Cl}2(μ-bpa)]Cl2・4H2O (Pt2)
and [{Pt(en)Cl}2(μ-bpe)]Cl2・4H2O (Pt3) to DNA (4,4’-bipy, bpa and bpe are 4,4′-bipyridine, 1,2-bis(4-pyridyl)ethane and
1,2-bis(4-pyridyl)ethene, respectively). In contrast to the system with well-known intercalated ligand (EtBr), covalently bound
ligand (cis-Pt) and with minor groove binder (Hoechst 33258), which do not have significant differences in measured and
stoichiometric values, the most pronounced deviations are recorded for two dinuclear platinum(II) complexes (Pt1 and Pt2),
as a consequence of complex binding to the phosphate backbone and bending of DNA helix. The hydrolysis of complexes
and changes in DNA conformation were also analysed as phenomena that may have an impact on the changes in absorbance.",
publisher = "Springer",
journal = "Journal of Biological Inorganic Chemistry",
title = "Dinuclear platinum(II) complexes as the pattern for phosphate backbone binding: a new perspective for recognition of binding modes to DNA",
volume = "27",
pages = "65-79",
doi = "10.1007/s00775-021-01911-6"
}
Franich, A., Đorđević, I. S., Živković, M. D., Rajković, S., Janjić, G.,& Đuran, M.. (2022). Dinuclear platinum(II) complexes as the pattern for phosphate backbone binding: a new perspective for recognition of binding modes to DNA. in Journal of Biological Inorganic Chemistry
Springer., 27, 65-79.
https://doi.org/10.1007/s00775-021-01911-6
Franich A, Đorđević IS, Živković MD, Rajković S, Janjić G, Đuran M. Dinuclear platinum(II) complexes as the pattern for phosphate backbone binding: a new perspective for recognition of binding modes to DNA. in Journal of Biological Inorganic Chemistry. 2022;27:65-79.
doi:10.1007/s00775-021-01911-6 .
Franich, Andjela, Đorđević, Ivana S., Živković, Marija D., Rajković, Snežana, Janjić, Goran, Đuran, Miloš, "Dinuclear platinum(II) complexes as the pattern for phosphate backbone binding: a new perspective for recognition of binding modes to DNA" in Journal of Biological Inorganic Chemistry, 27 (2022):65-79,
https://doi.org/10.1007/s00775-021-01911-6 . .
1
1

Supplementary material to: "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry"

Radovanović, Marko; Ristić, Marija; Zlatar, Matija; Heinemann, Frank; Matović, Zoran

(Belgrade : Serbian Chemical Society, 2022)

TY  - DATA
AU  - Radovanović, Marko
AU  - Ristić, Marija
AU  - Zlatar, Matija
AU  - Heinemann, Frank
AU  - Matović, Zoran
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5108
AB  - Crystal data and structure refinement for complex trans(O5)-Na[Rh(ED3AP)]∙3H2O; IR spectrum of  trans(O5)-Na[Rh(ED3AP)]∙3H2O complex; Selected bond distances and angles for trans(O5)-Na[Rh(ED3AP)]·3H2O; Average bond distances of [Rh(ED3AP)]- isomers; Term splitting of d6 complexes in Oh and D4h symmetry.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Supplementary material to: "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry"
UR  - https://hdl.handle.net/21.15107/rcub_cer_5108
ER  - 
@misc{
author = "Radovanović, Marko and Ristić, Marija and Zlatar, Matija and Heinemann, Frank and Matović, Zoran",
year = "2022",
abstract = "Crystal data and structure refinement for complex trans(O5)-Na[Rh(ED3AP)]∙3H2O; IR spectrum of  trans(O5)-Na[Rh(ED3AP)]∙3H2O complex; Selected bond distances and angles for trans(O5)-Na[Rh(ED3AP)]·3H2O; Average bond distances of [Rh(ED3AP)]- isomers; Term splitting of d6 complexes in Oh and D4h symmetry.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Supplementary material to: "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry"",
url = "https://hdl.handle.net/21.15107/rcub_cer_5108"
}
Radovanović, M., Ristić, M., Zlatar, M., Heinemann, F.,& Matović, Z.. (2022). Supplementary material to: "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry". in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society..
https://hdl.handle.net/21.15107/rcub_cer_5108
Radovanović M, Ristić M, Zlatar M, Heinemann F, Matović Z. Supplementary material to: "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry". in Journal of the Serbian Chemical Society. 2022;.
https://hdl.handle.net/21.15107/rcub_cer_5108 .
Radovanović, Marko, Ristić, Marija, Zlatar, Matija, Heinemann, Frank, Matović, Zoran, "Supplementary material to: "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry"" in Journal of the Serbian Chemical Society (2022),
https://hdl.handle.net/21.15107/rcub_cer_5108 .

New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry

Radovanović, Marko; Ristić, Marija; Zlatar, Matija; Heinemann, Frank; Matović, Zoran

(Belgrade : Serbian Chemical Society, 2022)

TY  - JOUR
AU  - Radovanović, Marko
AU  - Ristić, Marija
AU  - Zlatar, Matija
AU  - Heinemann, Frank
AU  - Matović, Zoran
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5107
AB  - Only one (trans(O5)-Na[Rh(ED3AP)]∙3H2O) of possible two isomers was synthesized and characterized by single crystal X-ray analysis, IR and UV–Vis spectroscopy. Computational analysis of both isomers was performed with three levels of theory (B3LYP/TZV, BP86/TZV, OPBE/TZV), which gave consistent results. The more stable isomer by total energy and ligand field stabilization energy (LFSE) was trans(O5) which appeared in synthesis. The calculation of excited state energies complied with UV–Vis spectra, especially with OPBE functional. The results of excited state energy pointed out the dif­ferences among isomers in means of a splitting pattern of 1T2g excited state term. Both isomers have a strongly delocalized structure, according to the nat­ural bonding orbital (NBO) analysis. NBO analysis shows that the trans(O5) isomer is more stable than trans(O5O6) for approx. 87 kJ/mol. Therefore, only the trans(O5) isomer is present in the reaction mixture.
AB  - Један (trans(O5)-Na[Rh(ED3AP)]∙3H2O) од могућа два изомера синтетисан  je  и окарактерисан применом дифракције  X-зрака на монокристалу,  IR  и  UV–Vis  спектроскопијом. Компјутерска анализа оба изомера обављена је помоћу три теоријска модела која су дала конзистентне резултате. Стабилнији изомер по укупној енергији и енергији стабилизације лигандног поља (LFSE) јеt rans(O5) који је и изолован у синтези. Прорачун енергија ексцитованих стања дао је добру усаглашеност са UV–Vis спектром, посебно у случају прорачуна са  OPBE  функционалом. На основу резултата енергија ексцитованих стања уочене су разлике између изомера у начину цепања 1T2g терма. Оба изомера дају снажно-делокализовану структуру судећи по NBO анализи. Наоснову NBO анализе, trans(O5) изомер је стабилнији за  87  kJ/mol  и једини је присутан у реакционој смеши.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry
T1  - Нови родијум(iii)-ed3ap комплекс: кристална структура, карактеризација и компјутациона хемија
VL  - 87
IS  - 5
SP  - 561
EP  - 573
DO  - 10.2298/JSC211230003R
ER  - 
@article{
author = "Radovanović, Marko and Ristić, Marija and Zlatar, Matija and Heinemann, Frank and Matović, Zoran",
year = "2022",
abstract = "Only one (trans(O5)-Na[Rh(ED3AP)]∙3H2O) of possible two isomers was synthesized and characterized by single crystal X-ray analysis, IR and UV–Vis spectroscopy. Computational analysis of both isomers was performed with three levels of theory (B3LYP/TZV, BP86/TZV, OPBE/TZV), which gave consistent results. The more stable isomer by total energy and ligand field stabilization energy (LFSE) was trans(O5) which appeared in synthesis. The calculation of excited state energies complied with UV–Vis spectra, especially with OPBE functional. The results of excited state energy pointed out the dif­ferences among isomers in means of a splitting pattern of 1T2g excited state term. Both isomers have a strongly delocalized structure, according to the nat­ural bonding orbital (NBO) analysis. NBO analysis shows that the trans(O5) isomer is more stable than trans(O5O6) for approx. 87 kJ/mol. Therefore, only the trans(O5) isomer is present in the reaction mixture., Један (trans(O5)-Na[Rh(ED3AP)]∙3H2O) од могућа два изомера синтетисан  je  и окарактерисан применом дифракције  X-зрака на монокристалу,  IR  и  UV–Vis  спектроскопијом. Компјутерска анализа оба изомера обављена је помоћу три теоријска модела која су дала конзистентне резултате. Стабилнији изомер по укупној енергији и енергији стабилизације лигандног поља (LFSE) јеt rans(O5) који је и изолован у синтези. Прорачун енергија ексцитованих стања дао је добру усаглашеност са UV–Vis спектром, посебно у случају прорачуна са  OPBE  функционалом. На основу резултата енергија ексцитованих стања уочене су разлике између изомера у начину цепања 1T2g терма. Оба изомера дају снажно-делокализовану структуру судећи по NBO анализи. Наоснову NBO анализе, trans(O5) изомер је стабилнији за  87  kJ/mol  и једини је присутан у реакционој смеши.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry, Нови родијум(iii)-ed3ap комплекс: кристална структура, карактеризација и компјутациона хемија",
volume = "87",
number = "5",
pages = "561-573",
doi = "10.2298/JSC211230003R"
}
Radovanović, M., Ristić, M., Zlatar, M., Heinemann, F.,& Matović, Z.. (2022). New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry. in Journal of the Serbian Chemical Society
Belgrade : Serbian Chemical Society., 87(5), 561-573.
https://doi.org/10.2298/JSC211230003R
Radovanović M, Ristić M, Zlatar M, Heinemann F, Matović Z. New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry. in Journal of the Serbian Chemical Society. 2022;87(5):561-573.
doi:10.2298/JSC211230003R .
Radovanović, Marko, Ristić, Marija, Zlatar, Matija, Heinemann, Frank, Matović, Zoran, "New rhodium(III)-ED3AP complex: Crystal structure, characterization and computational chemistry" in Journal of the Serbian Chemical Society, 87, no. 5 (2022):561-573,
https://doi.org/10.2298/JSC211230003R . .

Cytotoxic activity and influence on acetylcholinesterase of series dinuclear platinum(II) complexes with aromatic nitrogen-containing heterocyclic bridging ligands: Insights in the mechanisms of action

Bondžić, Aleksandra M.; Žakula, Jelena J.; Korićanac, Lela; Keta, Otilija D.; Janjić, Goran; Đorđević, Ivana S.; Rajković, Snežana

(Elsevier, 2022)

TY  - JOUR
AU  - Bondžić, Aleksandra M.
AU  - Žakula, Jelena J.
AU  - Korićanac, Lela
AU  - Keta, Otilija D.
AU  - Janjić, Goran
AU  - Đorđević, Ivana S.
AU  - Rajković, Snežana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5412
AB  - Herein, the stability, lipophilicity, in vitro cytotoxicity, and influence on acetylcholinesterase of five dinuclear platinum(II) complexes with the general formula [{Pt(en)Cl}2(μ-L)]2+ (L is a different aromatic nitrogen-containing heterocyclic bridging ligands pyrazine (pz, Pt1), pyridazine (pydz, Pt2), quinoxaline (qx, Pt3), phthalazine (phtz, Pt4) and quinazoline (qz, Pt5), while en is bidentate coordinated ethylenediamine) were evaluated. The most active analyzed platinum complexes induced time-dependent growth inhibition of A375, HeLa, PANC-1, and MRC-5 cells. The best efficiency was achieved on HeLa and PANC-1 cells for Pt1, Pt2, and Pt3 at the highest concentration, while Pt1 was significantly more potent than cisplatin at a lower concentration. Additionally, a lower effect on normal cells was observed compared to cisplatin, which may indicate potentially fewer side effects of these complexes. Selected complexes induce reactive oxygen species and apoptosis on tumor cell lines. The most potent reversible acetylcholinesterase (AChE) inhibitors were Pt2, Pt4, and Pt5. Pt1 showed similar inhibitory potential toward AChE as cisplatin, but a different type of inhibition, which could contribute to lower neurotoxicity. Docking studies revealed that Pt2 and Pt4 were bound to the active gorge above the catalytic triad. In contrast, the other complexes were bound to the edge of the active gorge without impeding the approach to the catalytic triad. According to this, Pt1 represents a promising compound with potent anticancer properties, high selectivity, and low neurotoxicity.
PB  - Elsevier
T2  - Chemico-Biological Interactions
T1  - Cytotoxic activity and influence on acetylcholinesterase of series dinuclear platinum(II) complexes with aromatic nitrogen-containing heterocyclic bridging ligands: Insights in the mechanisms of action
VL  - 351
SP  - 109708
DO  - 10.1016/j.cbi.2021.109708
ER  - 
@article{
author = "Bondžić, Aleksandra M. and Žakula, Jelena J. and Korićanac, Lela and Keta, Otilija D. and Janjić, Goran and Đorđević, Ivana S. and Rajković, Snežana",
year = "2022",
abstract = "Herein, the stability, lipophilicity, in vitro cytotoxicity, and influence on acetylcholinesterase of five dinuclear platinum(II) complexes with the general formula [{Pt(en)Cl}2(μ-L)]2+ (L is a different aromatic nitrogen-containing heterocyclic bridging ligands pyrazine (pz, Pt1), pyridazine (pydz, Pt2), quinoxaline (qx, Pt3), phthalazine (phtz, Pt4) and quinazoline (qz, Pt5), while en is bidentate coordinated ethylenediamine) were evaluated. The most active analyzed platinum complexes induced time-dependent growth inhibition of A375, HeLa, PANC-1, and MRC-5 cells. The best efficiency was achieved on HeLa and PANC-1 cells for Pt1, Pt2, and Pt3 at the highest concentration, while Pt1 was significantly more potent than cisplatin at a lower concentration. Additionally, a lower effect on normal cells was observed compared to cisplatin, which may indicate potentially fewer side effects of these complexes. Selected complexes induce reactive oxygen species and apoptosis on tumor cell lines. The most potent reversible acetylcholinesterase (AChE) inhibitors were Pt2, Pt4, and Pt5. Pt1 showed similar inhibitory potential toward AChE as cisplatin, but a different type of inhibition, which could contribute to lower neurotoxicity. Docking studies revealed that Pt2 and Pt4 were bound to the active gorge above the catalytic triad. In contrast, the other complexes were bound to the edge of the active gorge without impeding the approach to the catalytic triad. According to this, Pt1 represents a promising compound with potent anticancer properties, high selectivity, and low neurotoxicity.",
publisher = "Elsevier",
journal = "Chemico-Biological Interactions",
title = "Cytotoxic activity and influence on acetylcholinesterase of series dinuclear platinum(II) complexes with aromatic nitrogen-containing heterocyclic bridging ligands: Insights in the mechanisms of action",
volume = "351",
pages = "109708",
doi = "10.1016/j.cbi.2021.109708"
}
Bondžić, A. M., Žakula, J. J., Korićanac, L., Keta, O. D., Janjić, G., Đorđević, I. S.,& Rajković, S.. (2022). Cytotoxic activity and influence on acetylcholinesterase of series dinuclear platinum(II) complexes with aromatic nitrogen-containing heterocyclic bridging ligands: Insights in the mechanisms of action. in Chemico-Biological Interactions
Elsevier., 351, 109708.
https://doi.org/10.1016/j.cbi.2021.109708
Bondžić AM, Žakula JJ, Korićanac L, Keta OD, Janjić G, Đorđević IS, Rajković S. Cytotoxic activity and influence on acetylcholinesterase of series dinuclear platinum(II) complexes with aromatic nitrogen-containing heterocyclic bridging ligands: Insights in the mechanisms of action. in Chemico-Biological Interactions. 2022;351:109708.
doi:10.1016/j.cbi.2021.109708 .
Bondžić, Aleksandra M., Žakula, Jelena J., Korićanac, Lela, Keta, Otilija D., Janjić, Goran, Đorđević, Ivana S., Rajković, Snežana, "Cytotoxic activity and influence on acetylcholinesterase of series dinuclear platinum(II) complexes with aromatic nitrogen-containing heterocyclic bridging ligands: Insights in the mechanisms of action" in Chemico-Biological Interactions, 351 (2022):109708,
https://doi.org/10.1016/j.cbi.2021.109708 . .
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