TY  - JOUR
AU  - Ristić, Predrag
AU  - Blagojević, Vladimir
AU  - Janjić, Goran
AU  - Rodić, Marko
AU  - Vulić, Predrag
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Chylewska, Agnieszka
AU  - Makowski, Mariusz
AU  - Todorović, Tamara
AU  - Filipović, Nenad
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4028
AB  - Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M–S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M–S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C–H/M and C–H/S are more dominant in 1 and C–H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt–S bond with respect to the ring chair conformation results in a significantly shorter C–H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C–H/Pd interaction distances in conformers with axial and equatorial positions of Pd–S bond with respect to the ring chair conformation.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study
VL  - 20
IS  - 5
SP  - 3018
EP  - 3033
DO  - 10.1021/acs.cgd.9b01661
ER  - 

@article{
author = "Ristić, Predrag and Blagojević, Vladimir and Janjić, Goran and Rodić, Marko and Vulić, Predrag and Donnard, Morgan and Gulea, Mihaela and Chylewska, Agnieszka and Makowski, Mariusz and Todorović, Tamara and Filipović, Nenad",
year = "2020",
abstract = "Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M–S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M–S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C–H/M and C–H/S are more dominant in 1 and C–H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt–S bond with respect to the ring chair conformation results in a significantly shorter C–H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C–H/Pd interaction distances in conformers with axial and equatorial positions of Pd–S bond with respect to the ring chair conformation.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study",
volume = "20",
number = "5",
pages = "3018-3033",
doi = "10.1021/acs.cgd.9b01661"
}

Ristić, P., Blagojević, V., Janjić, G., Rodić, M., Vulić, P., Donnard, M., Gulea, M., Chylewska, A., Makowski, M., Todorović, T.,& Filipović, N.. (2020). Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design
American Chemical Society (ACS)., 20(5), 3018-3033.
https://doi.org/10.1021/acs.cgd.9b01661

Ristić P, Blagojević V, Janjić G, Rodić M, Vulić P, Donnard M, Gulea M, Chylewska A, Makowski M, Todorović T, Filipović N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design. 2020;20(5):3018-3033.
doi:10.1021/acs.cgd.9b01661 .

Ristić, Predrag, Blagojević, Vladimir, Janjić, Goran, Rodić, Marko, Vulić, Predrag, Donnard, Morgan, Gulea, Mihaela, Chylewska, Agnieszka, Makowski, Mariusz, Todorović, Tamara, Filipović, Nenad, "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study" in Crystal Growth & Design, 20, no. 5 (2020):3018-3033,
https://doi.org/10.1021/acs.cgd.9b01661 . .

TY  - JOUR
AU  - Ristić, Predrag
AU  - Blagojević, Vladimir
AU  - Janjić, Goran
AU  - Rodić, Marko
AU  - Vulić, Predrag
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Chylewska, Agnieszka
AU  - Makowski, Mariusz
AU  - Todorović, Tamara
AU  - Filipović, Nenad
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4029
AB  - Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M–S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M–S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C–H/M and C–H/S are more dominant in 1 and C–H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt–S bond with respect to the ring chair conformation results in a significantly shorter C–H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C–H/Pd interaction distances in conformers with axial and equatorial positions of Pd–S bond with respect to the ring chair conformation.
PB  - American Chemical Society (ACS)
T2  - Crystal Growth & Design
T1  - Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study
VL  - 20
IS  - 5
SP  - 3018
EP  - 3033
DO  - 10.1021/acs.cgd.9b01661
ER  - 

@article{
author = "Ristić, Predrag and Blagojević, Vladimir and Janjić, Goran and Rodić, Marko and Vulić, Predrag and Donnard, Morgan and Gulea, Mihaela and Chylewska, Agnieszka and Makowski, Mariusz and Todorović, Tamara and Filipović, Nenad",
year = "2020",
abstract = "Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M–S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M–S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C–H/M and C–H/S are more dominant in 1 and C–H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt–S bond with respect to the ring chair conformation results in a significantly shorter C–H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C–H/Pd interaction distances in conformers with axial and equatorial positions of Pd–S bond with respect to the ring chair conformation.",
publisher = "American Chemical Society (ACS)",
journal = "Crystal Growth & Design",
title = "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study",
volume = "20",
number = "5",
pages = "3018-3033",
doi = "10.1021/acs.cgd.9b01661"
}

Ristić, P., Blagojević, V., Janjić, G., Rodić, M., Vulić, P., Donnard, M., Gulea, M., Chylewska, A., Makowski, M., Todorović, T.,& Filipović, N.. (2020). Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design
American Chemical Society (ACS)., 20(5), 3018-3033.
https://doi.org/10.1021/acs.cgd.9b01661

Ristić P, Blagojević V, Janjić G, Rodić M, Vulić P, Donnard M, Gulea M, Chylewska A, Makowski M, Todorović T, Filipović N. Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design. 2020;20(5):3018-3033.
doi:10.1021/acs.cgd.9b01661 .

Ristić, Predrag, Blagojević, Vladimir, Janjić, Goran, Rodić, Marko, Vulić, Predrag, Donnard, Morgan, Gulea, Mihaela, Chylewska, Agnieszka, Makowski, Mariusz, Todorović, Tamara, Filipović, Nenad, "Influence of C–H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study" in Crystal Growth & Design, 20, no. 5 (2020):3018-3033,
https://doi.org/10.1021/acs.cgd.9b01661 . .

TY  - JOUR
AU  - Zivojinovic, Jelena
AU  - Pavlović, Vera P.
AU  - Kosanovic, Darko
AU  - Marković, Smilja B.
AU  - Krstić, Jugoslav
AU  - Blagojević, Vladimir A.
AU  - Pavlović, Vladimir B.
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3016
AB  - Structural changes caused by mechanical activation of SrTiO3 powders were investigated using a variety of methods. Average crystallite size continuously decreased with increased activation time to around 20 nm after 120 min activation, while mesopore volume and specific surface area increased accordingly. Higher activation times lead to increased agglomeration of nanoparticles to form agglomerates of around 2 mu m in size, ultimately producing a relatively stable powder, which exhibits lower microstrain than powders activated for shorter periods of time. Raman spectroscopy shows that the behavior of TO2 and TO4 modes is consistent with a decrease in particle size, while behavior of the nonpolar TO3 mode is markedly different, indicating relaxation of the inversion symmetry in polycrystalline SrTiO3. UV-VIS spectra show that mechanical activation has negligible effect on SrTiO3, with a slight shift caused by TiO2 contamination due to presence of air. Other than this, the mechanical activation process preserves the chemical purity of the initial powder.
PB  - Elsevier
T2  - Journal of Alloys and Compounds
T1  - The influence of mechanical activation on structural evolution of nanocrystalline SrTiO3 powders
VL  - 695
SP  - 863
EP  - 870
DO  - 10.1016/j.jallcom.2016.10.159
ER  - 

@article{
author = "Zivojinovic, Jelena and Pavlović, Vera P. and Kosanovic, Darko and Marković, Smilja B. and Krstić, Jugoslav and Blagojević, Vladimir A. and Pavlović, Vladimir B.",
year = "2017",
abstract = "Structural changes caused by mechanical activation of SrTiO3 powders were investigated using a variety of methods. Average crystallite size continuously decreased with increased activation time to around 20 nm after 120 min activation, while mesopore volume and specific surface area increased accordingly. Higher activation times lead to increased agglomeration of nanoparticles to form agglomerates of around 2 mu m in size, ultimately producing a relatively stable powder, which exhibits lower microstrain than powders activated for shorter periods of time. Raman spectroscopy shows that the behavior of TO2 and TO4 modes is consistent with a decrease in particle size, while behavior of the nonpolar TO3 mode is markedly different, indicating relaxation of the inversion symmetry in polycrystalline SrTiO3. UV-VIS spectra show that mechanical activation has negligible effect on SrTiO3, with a slight shift caused by TiO2 contamination due to presence of air. Other than this, the mechanical activation process preserves the chemical purity of the initial powder.",
publisher = "Elsevier",
journal = "Journal of Alloys and Compounds",
title = "The influence of mechanical activation on structural evolution of nanocrystalline SrTiO3 powders",
volume = "695",
pages = "863-870",
doi = "10.1016/j.jallcom.2016.10.159"
}

Zivojinovic, J., Pavlović, V. P., Kosanovic, D., Marković, S. B., Krstić, J., Blagojević, V. A.,& Pavlović, V. B.. (2017). The influence of mechanical activation on structural evolution of nanocrystalline SrTiO3 powders. in Journal of Alloys and Compounds
Elsevier., 695, 863-870.
https://doi.org/10.1016/j.jallcom.2016.10.159

Zivojinovic J, Pavlović VP, Kosanovic D, Marković SB, Krstić J, Blagojević VA, Pavlović VB. The influence of mechanical activation on structural evolution of nanocrystalline SrTiO3 powders. in Journal of Alloys and Compounds. 2017;695:863-870.
doi:10.1016/j.jallcom.2016.10.159 .

Zivojinovic, Jelena, Pavlović, Vera P., Kosanovic, Darko, Marković, Smilja B., Krstić, Jugoslav, Blagojević, Vladimir A., Pavlović, Vladimir B., "The influence of mechanical activation on structural evolution of nanocrystalline SrTiO3 powders" in Journal of Alloys and Compounds, 695 (2017):863-870,
https://doi.org/10.1016/j.jallcom.2016.10.159 . .

TY  - JOUR
AU  - Filipovic, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Blagojević, Vladimir A.
AU  - Muller, Christian D.
AU  - Marinković, Aleksandar D.
AU  - Vujčić, Miroslava
AU  - Janović, Barbara
AU  - Malešević, Aleksandar S.
AU  - Begovic, Nebojsa
AU  - Senćanski, Milan
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2010
AB  - A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl) bis(ethan-1-yl-1-ylidene)) bis(hydrazin-1-yl-2-ylidene)) bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 +/- 3 mu M), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines
VL  - 6
IS  - 110
SP  - 108726
EP  - 108740
DO  - 10.1039/c6ra24604d
ER  - 

@article{
author = "Filipovic, Nenad R. and Bjelogrlić, Snežana K. and Todorović, Tamara and Blagojević, Vladimir A. and Muller, Christian D. and Marinković, Aleksandar D. and Vujčić, Miroslava and Janović, Barbara and Malešević, Aleksandar S. and Begovic, Nebojsa and Senćanski, Milan and Minić, Dragica M.",
year = "2016",
abstract = "A new Ni(II) complex, [Ni(L)(H2O)] (1), with diethyl 3,3'-(2,2'-(1,1'-(pyridine-2,6-diyl) bis(ethan-1-yl-1-ylidene)) bis(hydrazin-1-yl-2-ylidene)) bis(3-oxopropanoate) ligand (H2L) was synthesized as a potential chemotherapeutic agent. Polidentate ligand was coordinated to Ni(II) NNN-tridentately, in dianionic form, while monodentate water coordination completed square-planar geometry around metal. Structure in the solution was determined by NMR spectroscopy and the same coordination mode was observed in the solid state using IR spectroscopy and further verified by DFT calculations and electrochemical studies. Thermal stability of 1 was determined in both air and nitrogen atmosphere. Anticancer activity of 1 was investigated on acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma (AsPC-1) cell lines. On THP-1 cells 1 induced powerful apoptotic response (ED50 = 10 +/- 3 mu M), which was revealed to be only partially caspase-dependent, with activation of caspase-8 as the dominant course. This suggested that experimentally validated covalent binding of 1 to DNA is not the only mechanism responsible for programmed cell death. This was supported with experiments on AsPC-1 cells. Although treatment of those cells with 1 resulted in poor apoptotic response, cell cycle changes showed concentration-dependent shifts indicating a dual mechanism of activity. This study also reviews the results of preliminary biological screening, which demonstrates that 1 displays a unique pattern of anticancer activity with at least two mechanisms involved.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines",
volume = "6",
number = "110",
pages = "108726-108740",
doi = "10.1039/c6ra24604d"
}

Filipovic, N. R., Bjelogrlić, S. K., Todorović, T., Blagojević, V. A., Muller, C. D., Marinković, A. D., Vujčić, M., Janović, B., Malešević, A. S., Begovic, N., Senćanski, M.,& Minić, D. M.. (2016). Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances
Royal Soc Chemistry, Cambridge., 6(110), 108726-108740.
https://doi.org/10.1039/c6ra24604d

Filipovic NR, Bjelogrlić SK, Todorović T, Blagojević VA, Muller CD, Marinković AD, Vujčić M, Janović B, Malešević AS, Begovic N, Senćanski M, Minić DM. Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines. in RSC Advances. 2016;6(110):108726-108740.
doi:10.1039/c6ra24604d .

Filipovic, Nenad R., Bjelogrlić, Snežana K., Todorović, Tamara, Blagojević, Vladimir A., Muller, Christian D., Marinković, Aleksandar D., Vujčić, Miroslava, Janović, Barbara, Malešević, Aleksandar S., Begovic, Nebojsa, Senćanski, Milan, Minić, Dragica M., "Ni(II) complex with bishydrazone ligand: synthesis, characterization, DNA binding studies and pro-apoptotic and pro-differentiation induction in human cancerous cell lines" in RSC Advances, 6, no. 110 (2016):108726-108740,
https://doi.org/10.1039/c6ra24604d . .

TY  - JOUR
AU  - Rašović, Aleksandar
AU  - Blagojević, Vladimir A.
AU  - Baranac-Stojanović, Marija
AU  - Kleinpeter, Erich
AU  - Marković, Rade
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1934
AB  - Information about the strength of donor-acceptor interactions in push-pull alkenes is valuable, as this so-called "push-pull effect'' influences their chemical reactivity and dynamic behaviour. In this paper, we discuss the applicability of NMR spectral data and barriers to rotation around the CQC double bond to quantify the push-pull effect in biologically important 2-alkylidene-4-oxothiazolidines. While olefinic proton chemical shifts and differences in C-13 NMR chemical shifts of the two carbons constituting the CQC double bond fail to give the correct trend in the electron withdrawing ability of the substituents attached to the exocyclic carbon of the double bond, barriers to rotation prove to be a reliable quantity in providing information about the extent of donor-acceptor interactions in the push-pull systems studied. In particular all relevant kinetic data, that is the Arrhenius parameters ( apparent activation energy Ea and frequency factor A) and activation parameters ( Delta S-double dagger, Delta H-double dagger and Delta G(double dagger)), were determined from the data of the experimentally studied configurational isomerization of ( E)-9a. These results were compared to previously published related data for other two compounds, ( Z)-1b and ( 2E, 5Z)-7, showing that experimentally determined Delta G(double dagger) values are a good indicator of the strength of push-pull character. Theoretical calculations of the rotational barriers of eight selected derivatives excellently correlate with the calculated CQC bond lengths and corroborate the applicability of Delta G(double dagger) for estimation of the strength of the push-pull effect in these and related systems.
PB  - Royal Soc Chemistry, Cambridge
T2  - New Journal of Chemistry
T1  - Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond
VL  - 40
IS  - 7
SP  - 6364
EP  - 6373
DO  - 10.1039/c6nj00901h
ER  - 

@article{
author = "Rašović, Aleksandar and Blagojević, Vladimir A. and Baranac-Stojanović, Marija and Kleinpeter, Erich and Marković, Rade and Minić, Dragica M.",
year = "2016",
abstract = "Information about the strength of donor-acceptor interactions in push-pull alkenes is valuable, as this so-called "push-pull effect'' influences their chemical reactivity and dynamic behaviour. In this paper, we discuss the applicability of NMR spectral data and barriers to rotation around the CQC double bond to quantify the push-pull effect in biologically important 2-alkylidene-4-oxothiazolidines. While olefinic proton chemical shifts and differences in C-13 NMR chemical shifts of the two carbons constituting the CQC double bond fail to give the correct trend in the electron withdrawing ability of the substituents attached to the exocyclic carbon of the double bond, barriers to rotation prove to be a reliable quantity in providing information about the extent of donor-acceptor interactions in the push-pull systems studied. In particular all relevant kinetic data, that is the Arrhenius parameters ( apparent activation energy Ea and frequency factor A) and activation parameters ( Delta S-double dagger, Delta H-double dagger and Delta G(double dagger)), were determined from the data of the experimentally studied configurational isomerization of ( E)-9a. These results were compared to previously published related data for other two compounds, ( Z)-1b and ( 2E, 5Z)-7, showing that experimentally determined Delta G(double dagger) values are a good indicator of the strength of push-pull character. Theoretical calculations of the rotational barriers of eight selected derivatives excellently correlate with the calculated CQC bond lengths and corroborate the applicability of Delta G(double dagger) for estimation of the strength of the push-pull effect in these and related systems.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "New Journal of Chemistry",
title = "Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond",
volume = "40",
number = "7",
pages = "6364-6373",
doi = "10.1039/c6nj00901h"
}

Rašović, A., Blagojević, V. A., Baranac-Stojanović, M., Kleinpeter, E., Marković, R.,& Minić, D. M.. (2016). Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond. in New Journal of Chemistry
Royal Soc Chemistry, Cambridge., 40(7), 6364-6373.
https://doi.org/10.1039/c6nj00901h

Rašović A, Blagojević VA, Baranac-Stojanović M, Kleinpeter E, Marković R, Minić DM. Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond. in New Journal of Chemistry. 2016;40(7):6364-6373.
doi:10.1039/c6nj00901h .

Rašović, Aleksandar, Blagojević, Vladimir A., Baranac-Stojanović, Marija, Kleinpeter, Erich, Marković, Rade, Minić, Dragica M., "Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond" in New Journal of Chemistry, 40, no. 7 (2016):6364-6373,
https://doi.org/10.1039/c6nj00901h . .

TY  - JOUR
AU  - Vasic, Milica M
AU  - Roupcova, Pavla
AU  - Pizurova, Nadezda
AU  - Stevanović, Sanja
AU  - Blagojević, Vladimir A.
AU  - Žak, Tomas
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2032
AB  - Thermal stability and thermally induced structural transformations of Fe40Ni40P14B6 amorphous alloy were examined under non-isothermal and isothermal conditions. Formation of metastable alpha-(Fe,Ni), and stable gamma-(Fe,Ni) and (Fe,Ni)(3)(P,B) crystalline phases as the main crystallization products was observed, while the presence of small amounts of other crystalline phases like Fe23B6 and Fe2NiB was indicated by electron diffraction in HRTEM. Thermomagnetic curve indicated that Fe content in different crystalline phases is very different, resulting in markedly different Curie temperatures after crystallization. Transmission electron microscopy and atomic force microscopy study suggested multiple-layered platelet-shaped morphology, both on the surface and in the bulk of the crystallized alloy sample. The thermal treatment heating rate and maximum temperature affected surface roughness and grain size inhomogeneity.
PB  - Springer, New York
T2  - Metallurgical and Materials Transactions A-Physical Metallurgy and Materials Science
T1  - Thermally Induced Structural Transformations of Fe40Ni40P14B6 Amorphous Alloy
IS  - 1
SP  - 260
EP  - 267
DO  - 10.1007/s11661-015-3226-4
ER  - 

@article{
author = "Vasic, Milica M and Roupcova, Pavla and Pizurova, Nadezda and Stevanović, Sanja and Blagojević, Vladimir A. and Žak, Tomas and Minić, Dragica M.",
year = "2016",
abstract = "Thermal stability and thermally induced structural transformations of Fe40Ni40P14B6 amorphous alloy were examined under non-isothermal and isothermal conditions. Formation of metastable alpha-(Fe,Ni), and stable gamma-(Fe,Ni) and (Fe,Ni)(3)(P,B) crystalline phases as the main crystallization products was observed, while the presence of small amounts of other crystalline phases like Fe23B6 and Fe2NiB was indicated by electron diffraction in HRTEM. Thermomagnetic curve indicated that Fe content in different crystalline phases is very different, resulting in markedly different Curie temperatures after crystallization. Transmission electron microscopy and atomic force microscopy study suggested multiple-layered platelet-shaped morphology, both on the surface and in the bulk of the crystallized alloy sample. The thermal treatment heating rate and maximum temperature affected surface roughness and grain size inhomogeneity.",
publisher = "Springer, New York",
journal = "Metallurgical and Materials Transactions A-Physical Metallurgy and Materials Science",
title = "Thermally Induced Structural Transformations of Fe40Ni40P14B6 Amorphous Alloy",
number = "1",
pages = "260-267",
doi = "10.1007/s11661-015-3226-4"
}

Vasic, M. M., Roupcova, P., Pizurova, N., Stevanović, S., Blagojević, V. A., Žak, T.,& Minić, D. M.. (2016). Thermally Induced Structural Transformations of Fe40Ni40P14B6 Amorphous Alloy. in Metallurgical and Materials Transactions A-Physical Metallurgy and Materials Science
Springer, New York.(1), 260-267.
https://doi.org/10.1007/s11661-015-3226-4

Vasic MM, Roupcova P, Pizurova N, Stevanović S, Blagojević VA, Žak T, Minić DM. Thermally Induced Structural Transformations of Fe40Ni40P14B6 Amorphous Alloy. in Metallurgical and Materials Transactions A-Physical Metallurgy and Materials Science. 2016;(1):260-267.
doi:10.1007/s11661-015-3226-4 .

Vasic, Milica M, Roupcova, Pavla, Pizurova, Nadezda, Stevanović, Sanja, Blagojević, Vladimir A., Žak, Tomas, Minić, Dragica M., "Thermally Induced Structural Transformations of Fe40Ni40P14B6 Amorphous Alloy" in Metallurgical and Materials Transactions A-Physical Metallurgy and Materials Science, no. 1 (2016):260-267,
https://doi.org/10.1007/s11661-015-3226-4 . .

TY  - JOUR
AU  - Šumar-Ristović, Maja
AU  - Gruden-Pavlović, Maja
AU  - Zlatar, Matija
AU  - Blagojević, Vladimir A.
AU  - Anđelković, Katarina
AU  - Poleti, Dejan
AU  - Minić, Dragica M.
PY  - 2012
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/990
AB  - A Zn(II) complex with N-benzyloxycarbonylglycinato ligands was studied by non-isothermal methods, in particular Kissinger-Akahira-Sunose's method, and further analysis of these results was performed by Vyazovkin's algorithm and an artificial compensation effect. Density functional theory calculations of thermodynamic quantities were performed, and results obtained by both methods are consistent, thus clarifying the mechanism of this very interesting multi-step degradation.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands
VL  - 143
IS  - 8
SP  - 1133
EP  - 1139
DO  - 10.1007/s00706-012-0793-6
ER  - 

@article{
author = "Šumar-Ristović, Maja and Gruden-Pavlović, Maja and Zlatar, Matija and Blagojević, Vladimir A. and Anđelković, Katarina and Poleti, Dejan and Minić, Dragica M.",
year = "2012",
abstract = "A Zn(II) complex with N-benzyloxycarbonylglycinato ligands was studied by non-isothermal methods, in particular Kissinger-Akahira-Sunose's method, and further analysis of these results was performed by Vyazovkin's algorithm and an artificial compensation effect. Density functional theory calculations of thermodynamic quantities were performed, and results obtained by both methods are consistent, thus clarifying the mechanism of this very interesting multi-step degradation.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands",
volume = "143",
number = "8",
pages = "1133-1139",
doi = "10.1007/s00706-012-0793-6"
}

Šumar-Ristović, M., Gruden-Pavlović, M., Zlatar, M., Blagojević, V. A., Anđelković, K., Poleti, D.,& Minić, D. M.. (2012). Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands. in Monatshefte Fur Chemie
Springer Wien, Wien., 143(8), 1133-1139.
https://doi.org/10.1007/s00706-012-0793-6

Šumar-Ristović M, Gruden-Pavlović M, Zlatar M, Blagojević VA, Anđelković K, Poleti D, Minić DM. Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands. in Monatshefte Fur Chemie. 2012;143(8):1133-1139.
doi:10.1007/s00706-012-0793-6 .

Šumar-Ristović, Maja, Gruden-Pavlović, Maja, Zlatar, Matija, Blagojević, Vladimir A., Anđelković, Katarina, Poleti, Dejan, Minić, Dragica M., "Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands" in Monatshefte Fur Chemie, 143, no. 8 (2012):1133-1139,
https://doi.org/10.1007/s00706-012-0793-6 . .

TY  - JOUR
AU  - Minic, D. G.
AU  - Blagojević, Vladimir A.
AU  - Mihajlovic, Lj E.
AU  - Ćosović, Vladan
AU  - Minić, Dragica M.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/782
AB  - The kinetics of structural transformations of the Fe75Ni2Si8B13C2 amorphous alloy under non-isothermal conditions was studied. It was shown that the amorphous alloy was stable up to 723 K, when multi-step structural transformations start, involving formation of stable alpha-Fe(Si) and Fe2B crystalline phases, and a metastable Fe15Si3B2 phase, their growth and the decomposition of the metastable phase into the two stable phases. Peakfit software was used to resolve the overlapping peaks corresponding to different crystallization steps, at different heating rates. The kinetic parameters corresponding to each of the steps were evaluated and kinetic triplet for every single step was established (g(alpha) = [-ln(1 - alpha)](1/3), E-a = 375.1 +/- 0.8 kJ/mol and In A = 56.2 +/- 1.0 for step 1; E-a = 341.6 +/- 0.5 kJ/mol and In A = 49.3 +/- 0.5 for step 2). The effects of structural transformations on the established kinetic model were discussed in detail.
PB  - Elsevier
T2  - Thermochimica Acta
T1  - Kinetics and mechanism of structural transformations of Fe75Ni2Si8B13C2 amorphous alloy induced by thermal treatment
VL  - 519
IS  - 1-2
SP  - 83
EP  - 89
DO  - 10.1016/j.tca.2011.02.040
ER  - 

@article{
author = "Minic, D. G. and Blagojević, Vladimir A. and Mihajlovic, Lj E. and Ćosović, Vladan and Minić, Dragica M.",
year = "2011",
abstract = "The kinetics of structural transformations of the Fe75Ni2Si8B13C2 amorphous alloy under non-isothermal conditions was studied. It was shown that the amorphous alloy was stable up to 723 K, when multi-step structural transformations start, involving formation of stable alpha-Fe(Si) and Fe2B crystalline phases, and a metastable Fe15Si3B2 phase, their growth and the decomposition of the metastable phase into the two stable phases. Peakfit software was used to resolve the overlapping peaks corresponding to different crystallization steps, at different heating rates. The kinetic parameters corresponding to each of the steps were evaluated and kinetic triplet for every single step was established (g(alpha) = [-ln(1 - alpha)](1/3), E-a = 375.1 +/- 0.8 kJ/mol and In A = 56.2 +/- 1.0 for step 1; E-a = 341.6 +/- 0.5 kJ/mol and In A = 49.3 +/- 0.5 for step 2). The effects of structural transformations on the established kinetic model were discussed in detail.",
publisher = "Elsevier",
journal = "Thermochimica Acta",
title = "Kinetics and mechanism of structural transformations of Fe75Ni2Si8B13C2 amorphous alloy induced by thermal treatment",
volume = "519",
number = "1-2",
pages = "83-89",
doi = "10.1016/j.tca.2011.02.040"
}

Minic, D. G., Blagojević, V. A., Mihajlovic, L. E., Ćosović, V.,& Minić, D. M.. (2011). Kinetics and mechanism of structural transformations of Fe75Ni2Si8B13C2 amorphous alloy induced by thermal treatment. in Thermochimica Acta
Elsevier., 519(1-2), 83-89.
https://doi.org/10.1016/j.tca.2011.02.040

Minic DG, Blagojević VA, Mihajlovic LE, Ćosović V, Minić DM. Kinetics and mechanism of structural transformations of Fe75Ni2Si8B13C2 amorphous alloy induced by thermal treatment. in Thermochimica Acta. 2011;519(1-2):83-89.
doi:10.1016/j.tca.2011.02.040 .

Minic, D. G., Blagojević, Vladimir A., Mihajlovic, Lj E., Ćosović, Vladan, Minić, Dragica M., "Kinetics and mechanism of structural transformations of Fe75Ni2Si8B13C2 amorphous alloy induced by thermal treatment" in Thermochimica Acta, 519, no. 1-2 (2011):83-89,
https://doi.org/10.1016/j.tca.2011.02.040 . .