TY  - JOUR
AU  - Matović, Zoran
AU  - Jeremić, Marija S.
AU  - Jelić, Ratomir
AU  - Zlatar, Matija
AU  - Jakovljević, Ivan Ž.
PY  - 2013
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1329
AB  - A new hexadentate chromium(III) complex, Na[Cr(1,3-pd3ap)]center dot 3H(2)O, containing an unsymmetrical edta-type ligand, the 1,3-propanediamine-N,N,N'-triacetate-N'-3-propionate ion (1,3-pd3ap), has been prepared, chromatographically separated and characterized. Only one [trans(O-5)] of the two possible geometrical isomers was isolated. In this isomer the two five-membered glycinate rings (R rings) occupy trans-axial sites, while the one glycinate ring and one beta-alaninate ring lie in the equatorial plane with the two diamine nitrogens (G rings). This result confirms the assignment made on the basis of Density Functional Theory (OFT), IR and UV-Vis spectral data analyses. The spectral data and electronic transition assignment, DFT-NBO, Ligand Field DFT and extensive strain analysis are discussed by a comparison with those of other [Cr(edta-type)](-) complexes of known configurations. The stoichiometry and stability of the complexes formed between the chromium(III) ion and 1,3-propanediamine-N,N,N'-triacetic-N'-propionic acid (H(4)1,3-pd3ap) were determined in aqueous solution by potentiometry at 25 degrees C and 0.1 M NaCl ionic strength. The existence of Cr(HnL), n = 0,1, 2 and 3 type complexes were verified. The formation of the Cr(OH)L complex was observed at higher pH values. The concentration distribution diagrams of the complexes were evaluated.
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Polyhedron
T1  - Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands
VL  - 55
SP  - 131
EP  - 143
DO  - 10.1016/j.poly.2013.02.079
ER  - 

@article{
author = "Matović, Zoran and Jeremić, Marija S. and Jelić, Ratomir and Zlatar, Matija and Jakovljević, Ivan Ž.",
year = "2013",
abstract = "A new hexadentate chromium(III) complex, Na[Cr(1,3-pd3ap)]center dot 3H(2)O, containing an unsymmetrical edta-type ligand, the 1,3-propanediamine-N,N,N'-triacetate-N'-3-propionate ion (1,3-pd3ap), has been prepared, chromatographically separated and characterized. Only one [trans(O-5)] of the two possible geometrical isomers was isolated. In this isomer the two five-membered glycinate rings (R rings) occupy trans-axial sites, while the one glycinate ring and one beta-alaninate ring lie in the equatorial plane with the two diamine nitrogens (G rings). This result confirms the assignment made on the basis of Density Functional Theory (OFT), IR and UV-Vis spectral data analyses. The spectral data and electronic transition assignment, DFT-NBO, Ligand Field DFT and extensive strain analysis are discussed by a comparison with those of other [Cr(edta-type)](-) complexes of known configurations. The stoichiometry and stability of the complexes formed between the chromium(III) ion and 1,3-propanediamine-N,N,N'-triacetic-N'-propionic acid (H(4)1,3-pd3ap) were determined in aqueous solution by potentiometry at 25 degrees C and 0.1 M NaCl ionic strength. The existence of Cr(HnL), n = 0,1, 2 and 3 type complexes were verified. The formation of the Cr(OH)L complex was observed at higher pH values. The concentration distribution diagrams of the complexes were evaluated.",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Polyhedron",
title = "Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands",
volume = "55",
pages = "131-143",
doi = "10.1016/j.poly.2013.02.079"
}

Matović, Z., Jeremić, M. S., Jelić, R., Zlatar, M.,& Jakovljević, I. Ž.. (2013). Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands. in Polyhedron
Oxford : Pergamon-Elsevier Science Ltd., 55, 131-143.
https://doi.org/10.1016/j.poly.2013.02.079

Matović Z, Jeremić MS, Jelić R, Zlatar M, Jakovljević IŽ. Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands. in Polyhedron. 2013;55:131-143.
doi:10.1016/j.poly.2013.02.079 .

Matović, Zoran, Jeremić, Marija S., Jelić, Ratomir, Zlatar, Matija, Jakovljević, Ivan Ž., "Configurational, LFDFT and NBO analysis of chromium(III) complexes of edta-type ligands" in Polyhedron, 55 (2013):131-143,
https://doi.org/10.1016/j.poly.2013.02.079 . .

TY  - JOUR
AU  - Markovic, Violeta
AU  - Erić, Slavica
AU  - Stanojković, Tatjana
AU  - Gligorijević, Nevenka
AU  - Arandelovic, Sandra
AU  - Todorović, Nina
AU  - Trifunović, Snežana
AU  - Manojlović, Nedeljko
AU  - Jelić, Ratomir
AU  - Joksovic, Milan D.
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/791
AB  - Twenty five 4-aminomethylidene derivatives obtained from 3-phenyl-2-pyrazolin-5-one and 1,3-diphenyl-2-pyrazolin-5-one were synthesized and tested for their antiproliferative activity against human breast cancer MDA-MB-361 and MDA-MB-453 cell lines. The compounds derived from 1,3-diphenyl-2-pyrazolin-5-one exhibited the most remarkable activity in the treatment of both cell lines. In vitro antiproliferative activities were accompanied by an important apoptotic fraction of both cell lines; also, compounds inhibited key endothelial cell functions implicated in invasion and angiogenesis. QSAR methods were performed in order to analyze the influence of structural features of the compounds investigated on the antiproliferative potential on MDA-MB-361 and MDA-MB-453 cancer cells. One-parameter heuristic analysis was performed and different whole molecule and fragmental descriptors were considered for rationalization of mechanism of interaction of these compounds with active place of hypothetical target included in tumorigenesis.
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Bioorganic and Medicinal Chemistry Letters
T1  - Antiproliferative activity and QSAR studies of a series of new 4-aminomethylidene derivatives of some pyrazol-5-ones
VL  - 21
IS  - 15
SP  - 4416
EP  - 4421
DO  - 10.1016/j.bmcl.2011.06.025
ER  - 

@article{
author = "Markovic, Violeta and Erić, Slavica and Stanojković, Tatjana and Gligorijević, Nevenka and Arandelovic, Sandra and Todorović, Nina and Trifunović, Snežana and Manojlović, Nedeljko and Jelić, Ratomir and Joksovic, Milan D.",
year = "2011",
abstract = "Twenty five 4-aminomethylidene derivatives obtained from 3-phenyl-2-pyrazolin-5-one and 1,3-diphenyl-2-pyrazolin-5-one were synthesized and tested for their antiproliferative activity against human breast cancer MDA-MB-361 and MDA-MB-453 cell lines. The compounds derived from 1,3-diphenyl-2-pyrazolin-5-one exhibited the most remarkable activity in the treatment of both cell lines. In vitro antiproliferative activities were accompanied by an important apoptotic fraction of both cell lines; also, compounds inhibited key endothelial cell functions implicated in invasion and angiogenesis. QSAR methods were performed in order to analyze the influence of structural features of the compounds investigated on the antiproliferative potential on MDA-MB-361 and MDA-MB-453 cancer cells. One-parameter heuristic analysis was performed and different whole molecule and fragmental descriptors were considered for rationalization of mechanism of interaction of these compounds with active place of hypothetical target included in tumorigenesis.",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Bioorganic and Medicinal Chemistry Letters",
title = "Antiproliferative activity and QSAR studies of a series of new 4-aminomethylidene derivatives of some pyrazol-5-ones",
volume = "21",
number = "15",
pages = "4416-4421",
doi = "10.1016/j.bmcl.2011.06.025"
}

Markovic, V., Erić, S., Stanojković, T., Gligorijević, N., Arandelovic, S., Todorović, N., Trifunović, S., Manojlović, N., Jelić, R.,& Joksovic, M. D.. (2011). Antiproliferative activity and QSAR studies of a series of new 4-aminomethylidene derivatives of some pyrazol-5-ones. in Bioorganic and Medicinal Chemistry Letters
Oxford : Pergamon-Elsevier Science Ltd., 21(15), 4416-4421.
https://doi.org/10.1016/j.bmcl.2011.06.025

Markovic V, Erić S, Stanojković T, Gligorijević N, Arandelovic S, Todorović N, Trifunović S, Manojlović N, Jelić R, Joksovic MD. Antiproliferative activity and QSAR studies of a series of new 4-aminomethylidene derivatives of some pyrazol-5-ones. in Bioorganic and Medicinal Chemistry Letters. 2011;21(15):4416-4421.
doi:10.1016/j.bmcl.2011.06.025 .

Markovic, Violeta, Erić, Slavica, Stanojković, Tatjana, Gligorijević, Nevenka, Arandelovic, Sandra, Todorović, Nina, Trifunović, Snežana, Manojlović, Nedeljko, Jelić, Ratomir, Joksovic, Milan D., "Antiproliferative activity and QSAR studies of a series of new 4-aminomethylidene derivatives of some pyrazol-5-ones" in Bioorganic and Medicinal Chemistry Letters, 21, no. 15 (2011):4416-4421,
https://doi.org/10.1016/j.bmcl.2011.06.025 . .