Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology

Link to this page

info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//

Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology (en)
Рационални дизајн и синтеза биолошки активних и координационих једињења и функционалних материјала, релевантних у (био)нанотехнологији (sr)
Racionalni dizajn i sinteza biološki aktivnih i koordinacionih jedinjenja i funkcionalnih materijala, relevantnih u (bio)nanotehnologiji (sr_RS)
Authors

Publications

Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects

Porobić, Slavica; Božić, Bojan Đ.; Dramićanin, Miroslav; Vitnik, Vesna; Vitnik, Željko J.; Marinović-Cincović, Milena; Mijin, Dušan Ž.

(2020)

TY  - JOUR
AU  - Porobić, Slavica
AU  - Božić, Bojan Đ.
AU  - Dramićanin, Miroslav
AU  - Vitnik, Vesna
AU  - Vitnik, Željko J.
AU  - Marinović-Cincović, Milena
AU  - Mijin, Dušan Ž.
PY  - 2020
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8475
AB  - A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert–Mataga, Reichardt–Dimroth and Kamlet-Taft equations. Moreover, UV–Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties. © 2019
T2  - Dyes and Pigments
T1  - Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects
VL  - 175
SP  - 108139
DO  - 10.1016/j.dyepig.2019.108139
ER  - 
@article{
author = "Porobić, Slavica and Božić, Bojan Đ. and Dramićanin, Miroslav and Vitnik, Vesna and Vitnik, Željko J. and Marinović-Cincović, Milena and Mijin, Dušan Ž.",
year = "2020",
abstract = "A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined in solvents of various polarities and at different pH values. The solvent effects on the absorbance and emission spectral shift were analyzed using Lippert–Mataga, Reichardt–Dimroth and Kamlet-Taft equations. Moreover, UV–Vis absorption and emission frequencies were correlated with Hammett substituent constants applying the linear free energy relationships. DFT calculations of the investigated dyes were accomplished to determine their structural and electronic properties. © 2019",
journal = "Dyes and Pigments",
title = "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects",
volume = "175",
pages = "108139",
doi = "10.1016/j.dyepig.2019.108139"
}
Porobić, S., Božić, B. Đ., Dramićanin, M., Vitnik, V., Vitnik, Ž. J., Marinović-Cincović, M.,& Mijin, D. Ž.. (2020). Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments, 175, 108139.
https://doi.org/10.1016/j.dyepig.2019.108139
Porobić S, Božić BĐ, Dramićanin M, Vitnik V, Vitnik ŽJ, Marinović-Cincović M, Mijin DŽ. Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects. in Dyes and Pigments. 2020;175:108139.
doi:10.1016/j.dyepig.2019.108139 .
Porobić, Slavica, Božić, Bojan Đ., Dramićanin, Miroslav, Vitnik, Vesna, Vitnik, Željko J., Marinović-Cincović, Milena, Mijin, Dušan Ž., "Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects" in Dyes and Pigments, 175 (2020):108139,
https://doi.org/10.1016/j.dyepig.2019.108139 . .
8
5
8

Synthesis and structural characterizations of novel atropoisomeric ferrocene-containing six-membered cyclic ureas

Minić, Aleksandra; Novaković, Slađana B.; Bogdanović, Goran A.; Bugarinović, Jovana P.; Pešić, Marko S.; Todosijević, Anka; Ilić-Komatina, Danijela; Damljanović, Ivan S.; Stevanović, Dragana D.

(2020)

TY  - JOUR
AU  - Minić, Aleksandra
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Bugarinović, Jovana P.
AU  - Pešić, Marko S.
AU  - Todosijević, Anka
AU  - Ilić-Komatina, Danijela
AU  - Damljanović, Ivan S.
AU  - Stevanović, Dragana D.
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8808
AB  - The stereochemical phenomenon that arises from hindered rotation around bonds in nonplanar molecules is termed the atropoisomerism. During our previous work we noted the presence of this kind of isomerism in 1-aryl-4-ferrocenyl-3-phenyltetrahydropyrimidin-2(1H)-ones obtained from ortho-substituted 3-(arylamino)-1-ferrocenylpropan-1-ols. Inspired by an interesting biological/medical features of six-membered cyclic ureas and characteristic of “atropoisomers - things that rotate”, herein we present an easy performable synthesis and full characterisation of novel atropoisomeric ferrocene-containing six-membered cyclic ureas. In addition, we successfully determined the crystal structure of two atropoisomers for the same compound. Molecular structural properties and intermolecular interactions of these two structures have been compared and analyzed in detail. Interesting, it has been found that these two isomers although quite similar in conformation and geometrical parameters, form very different crystal packing. © 2019 Elsevier Ltd
T2  - Polyhedron
T1  - Synthesis and structural characterizations of novel atropoisomeric ferrocene-containing six-membered cyclic ureas
VL  - 177
SP  - 114316
DO  - 10.1016/j.poly.2019.114316
ER  - 
@article{
author = "Minić, Aleksandra and Novaković, Slađana B. and Bogdanović, Goran A. and Bugarinović, Jovana P. and Pešić, Marko S. and Todosijević, Anka and Ilić-Komatina, Danijela and Damljanović, Ivan S. and Stevanović, Dragana D.",
year = "2020",
abstract = "The stereochemical phenomenon that arises from hindered rotation around bonds in nonplanar molecules is termed the atropoisomerism. During our previous work we noted the presence of this kind of isomerism in 1-aryl-4-ferrocenyl-3-phenyltetrahydropyrimidin-2(1H)-ones obtained from ortho-substituted 3-(arylamino)-1-ferrocenylpropan-1-ols. Inspired by an interesting biological/medical features of six-membered cyclic ureas and characteristic of “atropoisomers - things that rotate”, herein we present an easy performable synthesis and full characterisation of novel atropoisomeric ferrocene-containing six-membered cyclic ureas. In addition, we successfully determined the crystal structure of two atropoisomers for the same compound. Molecular structural properties and intermolecular interactions of these two structures have been compared and analyzed in detail. Interesting, it has been found that these two isomers although quite similar in conformation and geometrical parameters, form very different crystal packing. © 2019 Elsevier Ltd",
journal = "Polyhedron",
title = "Synthesis and structural characterizations of novel atropoisomeric ferrocene-containing six-membered cyclic ureas",
volume = "177",
pages = "114316",
doi = "10.1016/j.poly.2019.114316"
}
Minić, A., Novaković, S. B., Bogdanović, G. A., Bugarinović, J. P., Pešić, M. S., Todosijević, A., Ilić-Komatina, D., Damljanović, I. S.,& Stevanović, D. D.. (2020). Synthesis and structural characterizations of novel atropoisomeric ferrocene-containing six-membered cyclic ureas. in Polyhedron, 177, 114316.
https://doi.org/10.1016/j.poly.2019.114316
Minić A, Novaković SB, Bogdanović GA, Bugarinović JP, Pešić MS, Todosijević A, Ilić-Komatina D, Damljanović IS, Stevanović DD. Synthesis and structural characterizations of novel atropoisomeric ferrocene-containing six-membered cyclic ureas. in Polyhedron. 2020;177:114316.
doi:10.1016/j.poly.2019.114316 .
Minić, Aleksandra, Novaković, Slađana B., Bogdanović, Goran A., Bugarinović, Jovana P., Pešić, Marko S., Todosijević, Anka, Ilić-Komatina, Danijela, Damljanović, Ivan S., Stevanović, Dragana D., "Synthesis and structural characterizations of novel atropoisomeric ferrocene-containing six-membered cyclic ureas" in Polyhedron, 177 (2020):114316,
https://doi.org/10.1016/j.poly.2019.114316 . .
1
1
1
1

Toxicity study of DE-EDCP as a potential drug for cancer therapy: Toxicity profile of DE-EDCP

Stanković, Dragana; Ristić, Slavica M.; Vukadinović, Aleksandar; Mirković, Marija D.; Vladimirov, Sandra S.; Milanović, Zorana; Radović, Magdalena; Mijović, Milica; Stanković, Dalibor M.; Sabo, Tibor J.; Vranješ-Đurić, Sanja; Janković, Drina

(2019)

TY  - JOUR
AU  - Stanković, Dragana
AU  - Ristić, Slavica M.
AU  - Vukadinović, Aleksandar
AU  - Mirković, Marija D.
AU  - Vladimirov, Sandra S.
AU  - Milanović, Zorana
AU  - Radović, Magdalena
AU  - Mijović, Milica
AU  - Stanković, Dalibor M.
AU  - Sabo, Tibor J.
AU  - Vranješ-Đurić, Sanja
AU  - Janković, Drina
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8492
AB  - It was reported that novel O,O′-diethyl-(S, S)-ethylenediamine-N,N′-di-2-(3-cyclohexyl) propanoate dihydrochloride (DE-EDCP) displayed in vitro antiproliferative activity on several human and mouse cancer cell lines, which was comparable to that of the prototypical anticancer drug cisplatin. In order to reveal its toxicity profile, acute and repeated-dose toxicity studies were performed in Naval Medical Research Institute (NMRI) Han mice. The intravenous LD50 values of DE-EDCP were found to be 95.3 and 101.3 mg/kg body weight in female and male mice, respectively. In the subacute toxicity study, DE-EDCP was administered intravenously at the doses of 15, 25, and 40 mg/kg/day for a period of 28 days. There were no adverse effects on general condition, growth, feed and water consumption, and hematological parameters. There was a significant increase in urea and alanine aminotransferase in female mice and aspartate aminotransferase and alkaline phosphatase in both genders in 40 mg/kg/day dose-treated group. The histopathological changes confined to the liver and kidney, but in other organs were not found. Satellite group revealed that changes in the kidney and liver were less pronounced, suggesting their reversibility. Interactions with DNA could also be of importance for understanding DE-EDCP toxic side effects. Hyperchromic effect obtained with ultraviolet–visible, suggested electrostatic interactions between DE-EDCP and calf thymus DNA. The toxicity testing of DE-EDCP was conducted to predict human outcomes. © The Author(s) 2018.
T2  - Human & Experimental Toxicology
T1  - Toxicity study of DE-EDCP as a potential drug for cancer therapy: Toxicity profile of DE-EDCP
VL  - 38
IS  - 4
SP  - 466
EP  - 481
DO  - 10.1177/0960327118819047
ER  - 
@article{
author = "Stanković, Dragana and Ristić, Slavica M. and Vukadinović, Aleksandar and Mirković, Marija D. and Vladimirov, Sandra S. and Milanović, Zorana and Radović, Magdalena and Mijović, Milica and Stanković, Dalibor M. and Sabo, Tibor J. and Vranješ-Đurić, Sanja and Janković, Drina",
year = "2019",
abstract = "It was reported that novel O,O′-diethyl-(S, S)-ethylenediamine-N,N′-di-2-(3-cyclohexyl) propanoate dihydrochloride (DE-EDCP) displayed in vitro antiproliferative activity on several human and mouse cancer cell lines, which was comparable to that of the prototypical anticancer drug cisplatin. In order to reveal its toxicity profile, acute and repeated-dose toxicity studies were performed in Naval Medical Research Institute (NMRI) Han mice. The intravenous LD50 values of DE-EDCP were found to be 95.3 and 101.3 mg/kg body weight in female and male mice, respectively. In the subacute toxicity study, DE-EDCP was administered intravenously at the doses of 15, 25, and 40 mg/kg/day for a period of 28 days. There were no adverse effects on general condition, growth, feed and water consumption, and hematological parameters. There was a significant increase in urea and alanine aminotransferase in female mice and aspartate aminotransferase and alkaline phosphatase in both genders in 40 mg/kg/day dose-treated group. The histopathological changes confined to the liver and kidney, but in other organs were not found. Satellite group revealed that changes in the kidney and liver were less pronounced, suggesting their reversibility. Interactions with DNA could also be of importance for understanding DE-EDCP toxic side effects. Hyperchromic effect obtained with ultraviolet–visible, suggested electrostatic interactions between DE-EDCP and calf thymus DNA. The toxicity testing of DE-EDCP was conducted to predict human outcomes. © The Author(s) 2018.",
journal = "Human & Experimental Toxicology",
title = "Toxicity study of DE-EDCP as a potential drug for cancer therapy: Toxicity profile of DE-EDCP",
volume = "38",
number = "4",
pages = "466-481",
doi = "10.1177/0960327118819047"
}
Stanković, D., Ristić, S. M., Vukadinović, A., Mirković, M. D., Vladimirov, S. S., Milanović, Z., Radović, M., Mijović, M., Stanković, D. M., Sabo, T. J., Vranješ-Đurić, S.,& Janković, D.. (2019). Toxicity study of DE-EDCP as a potential drug for cancer therapy: Toxicity profile of DE-EDCP. in Human & Experimental Toxicology, 38(4), 466-481.
https://doi.org/10.1177/0960327118819047
Stanković D, Ristić SM, Vukadinović A, Mirković MD, Vladimirov SS, Milanović Z, Radović M, Mijović M, Stanković DM, Sabo TJ, Vranješ-Đurić S, Janković D. Toxicity study of DE-EDCP as a potential drug for cancer therapy: Toxicity profile of DE-EDCP. in Human & Experimental Toxicology. 2019;38(4):466-481.
doi:10.1177/0960327118819047 .
Stanković, Dragana, Ristić, Slavica M., Vukadinović, Aleksandar, Mirković, Marija D., Vladimirov, Sandra S., Milanović, Zorana, Radović, Magdalena, Mijović, Milica, Stanković, Dalibor M., Sabo, Tibor J., Vranješ-Đurić, Sanja, Janković, Drina, "Toxicity study of DE-EDCP as a potential drug for cancer therapy: Toxicity profile of DE-EDCP" in Human & Experimental Toxicology, 38, no. 4 (2019):466-481,
https://doi.org/10.1177/0960327118819047 . .
1

Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone

Darmanović, Darinka; Shcherbakov, Igor N.; Duboc, Carole; Spasojević, Vojislav; Hanžel, Darko; Anđelković, Katarina; Radanović, Dušanka D.; Turel, Iztok; Milenković, Milica R.; Gruden, Maja; Čobeljić, Božidar; Zlatar, Matija

(2019)

TY  - JOUR
AU  - Darmanović, Darinka
AU  - Shcherbakov, Igor N.
AU  - Duboc, Carole
AU  - Spasojević, Vojislav
AU  - Hanžel, Darko
AU  - Anđelković, Katarina
AU  - Radanović, Dušanka D.
AU  - Turel, Iztok
AU  - Milenković, Milica R.
AU  - Gruden, Maja
AU  - Čobeljić, Božidar
AU  - Zlatar, Matija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3855
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8751
AB  - Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.
T2  - The Journal of Physical Chemistry C
T1  - Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone
VL  - 123
IS  - 51
SP  - 31142
EP  - 31155
DO  - 10.1021/acs.jpcc.9b08066
ER  - 
@article{
author = "Darmanović, Darinka and Shcherbakov, Igor N. and Duboc, Carole and Spasojević, Vojislav and Hanžel, Darko and Anđelković, Katarina and Radanović, Dušanka D. and Turel, Iztok and Milenković, Milica R. and Gruden, Maja and Čobeljić, Božidar and Zlatar, Matija",
year = "2019",
abstract = "Magnetic anisotropy in pentagonal bipyramidal complexes of Co(II) (1 and 2), Fe(III) (3 and 4), and Ni(II) (5) with a 2,2′-[2,6-pyridinediylbis(ethylidyne-1-hydrazinyl-2-ylidene)]bis[N,N,N-trimethyl-2-oxoethanaminium] equatorial ligand and isothiocyanato axial ligands has been investigated by magnetic susceptibility measurements, powder X-band electron paramagnetic resonance (EPR) spectroscopy, Mössbauer spectroscopy, ab initio, and ligand-field density functional theory (LFDFT) calculations. The studied complexes display three distinct types of magnetic anisotropy. Co(II) complexes (1 and 2) show an easy plane anisotropy with large and positive D values and negligible rhombicity. The Ni(II) complex (5) has uniaxial magnetic anisotropy with a negative D value. Fe(III) complexes (3 and 4) have small zero-field splitting (ZFS) parameters. Theoretical modeling is used to rationalize the magnetic anisotropy in these systems and to identify the most important excited states that are responsible for the zero-field splitting. These excitations are a consequence of the electronic structure of the central metal ion in ideal pentagonal bipyramidal coordination.",
journal = "The Journal of Physical Chemistry C",
title = "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone",
volume = "123",
number = "51",
pages = "31142-31155",
doi = "10.1021/acs.jpcc.9b08066"
}
Darmanović, D., Shcherbakov, I. N., Duboc, C., Spasojević, V., Hanžel, D., Anđelković, K., Radanović, D. D., Turel, I., Milenković, M. R., Gruden, M., Čobeljić, B.,& Zlatar, M.. (2019). Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C, 123(51), 31142-31155.
https://doi.org/10.1021/acs.jpcc.9b08066
Darmanović D, Shcherbakov IN, Duboc C, Spasojević V, Hanžel D, Anđelković K, Radanović DD, Turel I, Milenković MR, Gruden M, Čobeljić B, Zlatar M. Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone. in The Journal of Physical Chemistry C. 2019;123(51):31142-31155.
doi:10.1021/acs.jpcc.9b08066 .
Darmanović, Darinka, Shcherbakov, Igor N., Duboc, Carole, Spasojević, Vojislav, Hanžel, Darko, Anđelković, Katarina, Radanović, Dušanka D., Turel, Iztok, Milenković, Milica R., Gruden, Maja, Čobeljić, Božidar, Zlatar, Matija, "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone" in The Journal of Physical Chemistry C, 123, no. 51 (2019):31142-31155,
https://doi.org/10.1021/acs.jpcc.9b08066 . .
1
5
5
5

The analysis of 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles under an external magnetic field and their radiolabeling for possible theranostic applications

Perić, Marko R.; Radović, Magdalena; Mirković, Marija D.; Nikolić, Aleksandar S.; Iskrenović, Predrag; Janković, Drina; Vranješ-Đurić, Sanja

(2019)

TY  - JOUR
AU  - Perić, Marko R.
AU  - Radović, Magdalena
AU  - Mirković, Marija D.
AU  - Nikolić, Aleksandar S.
AU  - Iskrenović, Predrag
AU  - Janković, Drina
AU  - Vranješ-Đurić, Sanja
PY  - 2019
UR  - http://xlink.rsc.org/?DOI=C8NJ06478D
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8139
AB  - The advances in nanotechnology are directed towards the development of new theranostic agents based on magnetic nanoparticles that can be used for both cancer detection and treatment. In this study, 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles (Fe3O4-DPD MNPs) were evaluated for their theranostic application using different methods. The magnetic hyperthermia efficiency of the Fe3O4-DPD MNPs was investigated in saline solution with ionic strengths between 0.05 and 1.0 mol dm(-3). For a better understanding of hyperthermia, the behavior of Fe3O4-DPD MNPs under a non-alternating magnetic field was studied, and the transparency of the sample was measured. Furthermore, the radiotracer method using the radionuclides Tc-99m and Y-90 was applied as a reliable and powerful method for evaluating the in vivo behavior of a nanoprobe; a high radiolabeling yield (>93%), in vitro and in vivo stability of the radiolabeled nanoparticles and high heating effect were observed, thus paving the way for the possible theranostic applications of Fe3O4-DPD MNPs.
T2  - New Journal of Chemistry
T1  - The analysis of 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles under an external magnetic field and their radiolabeling for possible theranostic applications
VL  - 43
IS  - 15
SP  - 5932
EP  - 5939
DO  - 10.1039/C8NJ06478D
ER  - 
@article{
author = "Perić, Marko R. and Radović, Magdalena and Mirković, Marija D. and Nikolić, Aleksandar S. and Iskrenović, Predrag and Janković, Drina and Vranješ-Đurić, Sanja",
year = "2019",
abstract = "The advances in nanotechnology are directed towards the development of new theranostic agents based on magnetic nanoparticles that can be used for both cancer detection and treatment. In this study, 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles (Fe3O4-DPD MNPs) were evaluated for their theranostic application using different methods. The magnetic hyperthermia efficiency of the Fe3O4-DPD MNPs was investigated in saline solution with ionic strengths between 0.05 and 1.0 mol dm(-3). For a better understanding of hyperthermia, the behavior of Fe3O4-DPD MNPs under a non-alternating magnetic field was studied, and the transparency of the sample was measured. Furthermore, the radiotracer method using the radionuclides Tc-99m and Y-90 was applied as a reliable and powerful method for evaluating the in vivo behavior of a nanoprobe; a high radiolabeling yield (>93%), in vitro and in vivo stability of the radiolabeled nanoparticles and high heating effect were observed, thus paving the way for the possible theranostic applications of Fe3O4-DPD MNPs.",
journal = "New Journal of Chemistry",
title = "The analysis of 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles under an external magnetic field and their radiolabeling for possible theranostic applications",
volume = "43",
number = "15",
pages = "5932-5939",
doi = "10.1039/C8NJ06478D"
}
Perić, M. R., Radović, M., Mirković, M. D., Nikolić, A. S., Iskrenović, P., Janković, D.,& Vranješ-Đurić, S.. (2019). The analysis of 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles under an external magnetic field and their radiolabeling for possible theranostic applications. in New Journal of Chemistry, 43(15), 5932-5939.
https://doi.org/10.1039/C8NJ06478D
Perić MR, Radović M, Mirković MD, Nikolić AS, Iskrenović P, Janković D, Vranješ-Đurić S. The analysis of 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles under an external magnetic field and their radiolabeling for possible theranostic applications. in New Journal of Chemistry. 2019;43(15):5932-5939.
doi:10.1039/C8NJ06478D .
Perić, Marko R., Radović, Magdalena, Mirković, Marija D., Nikolić, Aleksandar S., Iskrenović, Predrag, Janković, Drina, Vranješ-Đurić, Sanja, "The analysis of 2,3-dicarboxypropane-1,1-diphosphonic acid-coated magnetite nanoparticles under an external magnetic field and their radiolabeling for possible theranostic applications" in New Journal of Chemistry, 43, no. 15 (2019):5932-5939,
https://doi.org/10.1039/C8NJ06478D . .
1
1
1

Optical evidence of magnetic field-induced ferrofluid aggregation: Comparison of cobalt ferrite, magnetite, and magnesium ferrite

Lakić, Mladen; Anđelković, Ljubica; Šuljagić, Marija; Vulić, Predrag; Perić, Marko R.; Iskrenović, Predrag; Krstić, Ivan; Kuraica, Milorad M.; Nikolić, Aleksandar S.

(2019)

TY  - JOUR
AU  - Lakić, Mladen
AU  - Anđelković, Ljubica
AU  - Šuljagić, Marija
AU  - Vulić, Predrag
AU  - Perić, Marko R.
AU  - Iskrenović, Predrag
AU  - Krstić, Ivan
AU  - Kuraica, Milorad M.
AU  - Nikolić, Aleksandar S.
PY  - 2019
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0925346719301995
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8114
AB  - Light-transmitting measurements of white light and a consequentially chosen laser beam of 655 nm propagating through citrate- and oleate-coated CoFe 2 O 4 , FeFe 2 O 4 and MgFe 2 O 4 nanoparticles under the influence of an external magnetic field were presented. New experimental settings were developed for the optical study of ferrites’ behavior in ferrofluid with the applied magnetic field strength within the 30–400 mT range. A magnetic field-induced change of light transmittance occurred and a precipitation of all studied samples was obtained. Optical investigations of ferrofluid suspensions revealed that, contrary to the linear aggregates of colloidal CoFe 2 O 4 and FeFe 2 O 4 , spheroidal aggregates were formed in the case of MgFe 2 O 4 . In all three cases, the surface modification resulted in decreased dipole–dipole interactions between ferrite cores, and thus, less precipitates were noticed. All oleate-coated nanoparticles have demonstrated weaker magnetic responses compared to the citrate-encapsulated samples. The aggregation of nanoparticles potentially increases cytotoxicity. Regarding non-linear clustering of MgFe 2 O 4 suspensions, it can be concluded that its excretion from the organism may likely be easier and faster when used in diagnosis and/or therapy. Therefore, more attention should be paid to the lowly toxic MgFe 2 O 4 regarding its medical application. © 2019
T2  - Optical Materials
T1  - Optical evidence of magnetic field-induced ferrofluid aggregation: Comparison of cobalt ferrite, magnetite, and magnesium ferrite
VL  - 91
SP  - 279
EP  - 285
DO  - 10.1016/j.optmat.2019.03.031
ER  - 
@article{
author = "Lakić, Mladen and Anđelković, Ljubica and Šuljagić, Marija and Vulić, Predrag and Perić, Marko R. and Iskrenović, Predrag and Krstić, Ivan and Kuraica, Milorad M. and Nikolić, Aleksandar S.",
year = "2019",
abstract = "Light-transmitting measurements of white light and a consequentially chosen laser beam of 655 nm propagating through citrate- and oleate-coated CoFe 2 O 4 , FeFe 2 O 4 and MgFe 2 O 4 nanoparticles under the influence of an external magnetic field were presented. New experimental settings were developed for the optical study of ferrites’ behavior in ferrofluid with the applied magnetic field strength within the 30–400 mT range. A magnetic field-induced change of light transmittance occurred and a precipitation of all studied samples was obtained. Optical investigations of ferrofluid suspensions revealed that, contrary to the linear aggregates of colloidal CoFe 2 O 4 and FeFe 2 O 4 , spheroidal aggregates were formed in the case of MgFe 2 O 4 . In all three cases, the surface modification resulted in decreased dipole–dipole interactions between ferrite cores, and thus, less precipitates were noticed. All oleate-coated nanoparticles have demonstrated weaker magnetic responses compared to the citrate-encapsulated samples. The aggregation of nanoparticles potentially increases cytotoxicity. Regarding non-linear clustering of MgFe 2 O 4 suspensions, it can be concluded that its excretion from the organism may likely be easier and faster when used in diagnosis and/or therapy. Therefore, more attention should be paid to the lowly toxic MgFe 2 O 4 regarding its medical application. © 2019",
journal = "Optical Materials",
title = "Optical evidence of magnetic field-induced ferrofluid aggregation: Comparison of cobalt ferrite, magnetite, and magnesium ferrite",
volume = "91",
pages = "279-285",
doi = "10.1016/j.optmat.2019.03.031"
}
Lakić, M., Anđelković, L., Šuljagić, M., Vulić, P., Perić, M. R., Iskrenović, P., Krstić, I., Kuraica, M. M.,& Nikolić, A. S.. (2019). Optical evidence of magnetic field-induced ferrofluid aggregation: Comparison of cobalt ferrite, magnetite, and magnesium ferrite. in Optical Materials, 91, 279-285.
https://doi.org/10.1016/j.optmat.2019.03.031
Lakić M, Anđelković L, Šuljagić M, Vulić P, Perić MR, Iskrenović P, Krstić I, Kuraica MM, Nikolić AS. Optical evidence of magnetic field-induced ferrofluid aggregation: Comparison of cobalt ferrite, magnetite, and magnesium ferrite. in Optical Materials. 2019;91:279-285.
doi:10.1016/j.optmat.2019.03.031 .
Lakić, Mladen, Anđelković, Ljubica, Šuljagić, Marija, Vulić, Predrag, Perić, Marko R., Iskrenović, Predrag, Krstić, Ivan, Kuraica, Milorad M., Nikolić, Aleksandar S., "Optical evidence of magnetic field-induced ferrofluid aggregation: Comparison of cobalt ferrite, magnetite, and magnesium ferrite" in Optical Materials, 91 (2019):279-285,
https://doi.org/10.1016/j.optmat.2019.03.031 . .
6
6
6

Interactions of binuclear copper(II) complexes with S-substituted thiosalicylate derivatives with some relevant biomolecules

Jovanović, Snežana; Bogojeski, Jovana V.; Nikolić, Miloš V.; Mijajlović, Marina Ž.; Tomović, Dušan Lj.; Bukonjić, Andriana M.; Knežević Rangelov, Sanja M.; Mijailović, Nataša R.; Ratković, Zoran; Jevtić, Verica V.; Petrović, Biljana V.; Trifunović, Srećko R.; Novaković, Slađana B.; Bogdanović, Goran A.; Radić, Gordana P.

(2019)

TY  - JOUR
AU  - Jovanović, Snežana
AU  - Bogojeski, Jovana V.
AU  - Nikolić, Miloš V.
AU  - Mijajlović, Marina Ž.
AU  - Tomović, Dušan Lj.
AU  - Bukonjić, Andriana M.
AU  - Knežević Rangelov, Sanja M.
AU  - Mijailović, Nataša R.
AU  - Ratković, Zoran
AU  - Jevtić, Verica V.
AU  - Petrović, Biljana V.
AU  - Trifunović, Srećko R.
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Radić, Gordana P.
PY  - 2019
UR  - https://www.tandfonline.com/doi/full/10.1080/00958972.2019.1610561
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8196
AB  - Interactions of copper(II) complexes which contain S-alkyl derivatives of thiosalicylic acid (alkyl = methyl, ethyl, propyl and butyl; aryl = benzyl), marked as 1–5, with guanosine-5′-monophosphate (5′-GMP) and calf thymus DNA (CT-DNA) were studied. Kinetics of substitution reactions of 1–5 with 5′-GMP and CT-DNA were investigated under pseudo-first-order conditions at 310 K and pH = 7.2 in 25 mM Hepes buffer using stopped-flow method. All complexes have high affinity toward studied bio-molecules. Additionally, interactions with CT-DNA were followed by absorption spectroscopy and fluorescence quenching measurements. The results indicate that complexes bind to DNA exhibiting high binding constants (Kb = 104 M−1). During the examination of competitive reactions with ethidium bromide (EB), results showed that complexes can replace EB-bound DNA. In addition, a new crystal structure of the binuclear Cu(II) complex with S-substituted thiosalicylate derivative has been reported. In the present series of Cu(II) complexes the crystal structure is the first example of a complex comprising an S-aryl derivative of thiosalicylate ligand. Through comparative study of structural properties of six molecules from four crystal structures we examined the structural variations, potentially important for biological activity of these complexes. © 2019, © 2019 Informa UK Limited, trading as Taylor & Francis Group.
T2  - Journal of Coordination Chemistry
T1  - Interactions of binuclear copper(II) complexes with S-substituted thiosalicylate derivatives with some relevant biomolecules
VL  - 72
IS  - 10
SP  - 1603
EP  - 1620
DO  - 10.1080/00958972.2019.1610561
ER  - 
@article{
author = "Jovanović, Snežana and Bogojeski, Jovana V. and Nikolić, Miloš V. and Mijajlović, Marina Ž. and Tomović, Dušan Lj. and Bukonjić, Andriana M. and Knežević Rangelov, Sanja M. and Mijailović, Nataša R. and Ratković, Zoran and Jevtić, Verica V. and Petrović, Biljana V. and Trifunović, Srećko R. and Novaković, Slađana B. and Bogdanović, Goran A. and Radić, Gordana P.",
year = "2019",
abstract = "Interactions of copper(II) complexes which contain S-alkyl derivatives of thiosalicylic acid (alkyl = methyl, ethyl, propyl and butyl; aryl = benzyl), marked as 1–5, with guanosine-5′-monophosphate (5′-GMP) and calf thymus DNA (CT-DNA) were studied. Kinetics of substitution reactions of 1–5 with 5′-GMP and CT-DNA were investigated under pseudo-first-order conditions at 310 K and pH = 7.2 in 25 mM Hepes buffer using stopped-flow method. All complexes have high affinity toward studied bio-molecules. Additionally, interactions with CT-DNA were followed by absorption spectroscopy and fluorescence quenching measurements. The results indicate that complexes bind to DNA exhibiting high binding constants (Kb = 104 M−1). During the examination of competitive reactions with ethidium bromide (EB), results showed that complexes can replace EB-bound DNA. In addition, a new crystal structure of the binuclear Cu(II) complex with S-substituted thiosalicylate derivative has been reported. In the present series of Cu(II) complexes the crystal structure is the first example of a complex comprising an S-aryl derivative of thiosalicylate ligand. Through comparative study of structural properties of six molecules from four crystal structures we examined the structural variations, potentially important for biological activity of these complexes. © 2019, © 2019 Informa UK Limited, trading as Taylor & Francis Group.",
journal = "Journal of Coordination Chemistry",
title = "Interactions of binuclear copper(II) complexes with S-substituted thiosalicylate derivatives with some relevant biomolecules",
volume = "72",
number = "10",
pages = "1603-1620",
doi = "10.1080/00958972.2019.1610561"
}
Jovanović, S., Bogojeski, J. V., Nikolić, M. V., Mijajlović, M. Ž., Tomović, D. Lj., Bukonjić, A. M., Knežević Rangelov, S. M., Mijailović, N. R., Ratković, Z., Jevtić, V. V., Petrović, B. V., Trifunović, S. R., Novaković, S. B., Bogdanović, G. A.,& Radić, G. P.. (2019). Interactions of binuclear copper(II) complexes with S-substituted thiosalicylate derivatives with some relevant biomolecules. in Journal of Coordination Chemistry, 72(10), 1603-1620.
https://doi.org/10.1080/00958972.2019.1610561
Jovanović S, Bogojeski JV, Nikolić MV, Mijajlović MŽ, Tomović DL, Bukonjić AM, Knežević Rangelov SM, Mijailović NR, Ratković Z, Jevtić VV, Petrović BV, Trifunović SR, Novaković SB, Bogdanović GA, Radić GP. Interactions of binuclear copper(II) complexes with S-substituted thiosalicylate derivatives with some relevant biomolecules. in Journal of Coordination Chemistry. 2019;72(10):1603-1620.
doi:10.1080/00958972.2019.1610561 .
Jovanović, Snežana, Bogojeski, Jovana V., Nikolić, Miloš V., Mijajlović, Marina Ž., Tomović, Dušan Lj., Bukonjić, Andriana M., Knežević Rangelov, Sanja M., Mijailović, Nataša R., Ratković, Zoran, Jevtić, Verica V., Petrović, Biljana V., Trifunović, Srećko R., Novaković, Slađana B., Bogdanović, Goran A., Radić, Gordana P., "Interactions of binuclear copper(II) complexes with S-substituted thiosalicylate derivatives with some relevant biomolecules" in Journal of Coordination Chemistry, 72, no. 10 (2019):1603-1620,
https://doi.org/10.1080/00958972.2019.1610561 . .

Synthesis and characterization of Co-Mo bimetallic carbides

Šaponjić, Aleksandra; Šaponjić, Đorđe; Perović, Ivana M.; Vuković, Marina; Nikolić, Vladimir M.; Marčeta Kaninski, Milica; Kokunešoski, Maja

(2019)

TY  - JOUR
AU  - Šaponjić, Aleksandra
AU  - Šaponjić, Đorđe
AU  - Perović, Ivana M.
AU  - Vuković, Marina
AU  - Nikolić, Vladimir M.
AU  - Marčeta Kaninski, Milica
AU  - Kokunešoski, Maja
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8598
AB  - Co-Mo carbides were prepared by impregnation with aqueous solution of metal salts and sucrose into ordered mesoporous SBA-15 silica template using carbothermal hydrogen reduction. Bimetallic Co-Mo carbide obtained by using carbothermal hydrogen reduction of Co-Mo precursors is formed when the Co-Mo molar ratio is 1.0. The obtained samples were characterized by X-ray diffraction, scanning electron microscopy and energy dispersive X-ray analysis. Electrochemical characterization of obtained materials wеre performed by cyclic voltammetry in acid solution.
T2  - Science of Sintering
T1  - Synthesis and characterization of Co-Mo bimetallic carbides
VL  - 51
IS  - 3
SP  - 319
EP  - 326
DO  - 10.2298/SOS1903319S
ER  - 
@article{
author = "Šaponjić, Aleksandra and Šaponjić, Đorđe and Perović, Ivana M. and Vuković, Marina and Nikolić, Vladimir M. and Marčeta Kaninski, Milica and Kokunešoski, Maja",
year = "2019",
abstract = "Co-Mo carbides were prepared by impregnation with aqueous solution of metal salts and sucrose into ordered mesoporous SBA-15 silica template using carbothermal hydrogen reduction. Bimetallic Co-Mo carbide obtained by using carbothermal hydrogen reduction of Co-Mo precursors is formed when the Co-Mo molar ratio is 1.0. The obtained samples were characterized by X-ray diffraction, scanning electron microscopy and energy dispersive X-ray analysis. Electrochemical characterization of obtained materials wеre performed by cyclic voltammetry in acid solution.",
journal = "Science of Sintering",
title = "Synthesis and characterization of Co-Mo bimetallic carbides",
volume = "51",
number = "3",
pages = "319-326",
doi = "10.2298/SOS1903319S"
}
Šaponjić, A., Šaponjić, Đ., Perović, I. M., Vuković, M., Nikolić, V. M., Marčeta Kaninski, M.,& Kokunešoski, M.. (2019). Synthesis and characterization of Co-Mo bimetallic carbides. in Science of Sintering, 51(3), 319-326.
https://doi.org/10.2298/SOS1903319S
Šaponjić A, Šaponjić Đ, Perović IM, Vuković M, Nikolić VM, Marčeta Kaninski M, Kokunešoski M. Synthesis and characterization of Co-Mo bimetallic carbides. in Science of Sintering. 2019;51(3):319-326.
doi:10.2298/SOS1903319S .
Šaponjić, Aleksandra, Šaponjić, Đorđe, Perović, Ivana M., Vuković, Marina, Nikolić, Vladimir M., Marčeta Kaninski, Milica, Kokunešoski, Maja, "Synthesis and characterization of Co-Mo bimetallic carbides" in Science of Sintering, 51, no. 3 (2019):319-326,
https://doi.org/10.2298/SOS1903319S . .
2
2
2

Rare-earth (Gd3+,Yb3+/Tm3+, Eu3+) co-doped hydroxyapatite as magnetic, up-conversion and down-conversion materials for multimodal imaging

Ignjatović, Nenad L.; Mančić, Lidija; Vuković, Marina; Stojanović, Zoran S.; Nikolić, Marko G.; Škapin, Srečo Davor; Jovanović, Sonja; Veselinović, Ljiljana M.; Uskoković, Vuk; Lazić, Snežana; Marković, Smilja; Lazarević, Miloš M.; Uskoković, Dragan

(2019)

TY  - JOUR
AU  - Ignjatović, Nenad L.
AU  - Mančić, Lidija
AU  - Vuković, Marina
AU  - Stojanović, Zoran S.
AU  - Nikolić, Marko G.
AU  - Škapin, Srečo Davor
AU  - Jovanović, Sonja
AU  - Veselinović, Ljiljana M.
AU  - Uskoković, Vuk
AU  - Lazić, Snežana
AU  - Marković, Smilja
AU  - Lazarević, Miloš M.
AU  - Uskoković, Dragan
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8625
AB  - Taking advantage of the flexibility of the apatite structure, nano- and micro-particles of hydroxyapatite (HAp) were doped with different combinations of rare earth ions (RE3+ = Gd, Eu, Yb, Tm) to achieve a synergy among their magnetic and optical properties and to enable their application in preventive medicine, particularly diagnostics based on multimodal imaging. All powders were synthesized through hydrothermal processing at T ≤ 200 °C. An X-ray powder diffraction analysis showed that all powders crystallized in P63/m space group of the hexagonal crystal structure. The refined unit-cell parameters reflected a decrease in the unit cell volume as a result of the partial substitution of Ca2+ with smaller RE3+ ions at both cation positions. The FTIR analysis additionally suggested that a synergy may exist solely in the triply doped system, where the lattice symmetry and vibration modes become more coherent than in the singly or doubly doped systems. HAp:RE3+ optical characterization revealed a change in the energy band gap and the appearance of a weak blue luminescence (λex = 370 nm) due to an increased concentration of defects. The “up”- and the “down”-conversion spectra of HAp:Gd/Yb/Tm and HAp:Gd/Eu powders showed characteristic transitions of Tm3+ and Eu3+, respectively. Furthermore, in contrast to diamagnetic HAp, all HAp:RE3+ powders exhibited paramagnetic behavior. Cell viability tests of HAp:Gd/Yb/Tm and HAp:Gd/Eu powders in human dental pulp stem cell cultures indicated their good biocompatibility. © 2019, The Author(s).
T2  - Scientific Reports
T1  - Rare-earth (Gd3+,Yb3+/Tm3+, Eu3+) co-doped hydroxyapatite as magnetic, up-conversion and down-conversion materials for multimodal imaging
VL  - 9
IS  - 1
SP  - 16305
DO  - 10.1038/s41598-019-52885-0
ER  - 
@article{
author = "Ignjatović, Nenad L. and Mančić, Lidija and Vuković, Marina and Stojanović, Zoran S. and Nikolić, Marko G. and Škapin, Srečo Davor and Jovanović, Sonja and Veselinović, Ljiljana M. and Uskoković, Vuk and Lazić, Snežana and Marković, Smilja and Lazarević, Miloš M. and Uskoković, Dragan",
year = "2019",
abstract = "Taking advantage of the flexibility of the apatite structure, nano- and micro-particles of hydroxyapatite (HAp) were doped with different combinations of rare earth ions (RE3+ = Gd, Eu, Yb, Tm) to achieve a synergy among their magnetic and optical properties and to enable their application in preventive medicine, particularly diagnostics based on multimodal imaging. All powders were synthesized through hydrothermal processing at T ≤ 200 °C. An X-ray powder diffraction analysis showed that all powders crystallized in P63/m space group of the hexagonal crystal structure. The refined unit-cell parameters reflected a decrease in the unit cell volume as a result of the partial substitution of Ca2+ with smaller RE3+ ions at both cation positions. The FTIR analysis additionally suggested that a synergy may exist solely in the triply doped system, where the lattice symmetry and vibration modes become more coherent than in the singly or doubly doped systems. HAp:RE3+ optical characterization revealed a change in the energy band gap and the appearance of a weak blue luminescence (λex = 370 nm) due to an increased concentration of defects. The “up”- and the “down”-conversion spectra of HAp:Gd/Yb/Tm and HAp:Gd/Eu powders showed characteristic transitions of Tm3+ and Eu3+, respectively. Furthermore, in contrast to diamagnetic HAp, all HAp:RE3+ powders exhibited paramagnetic behavior. Cell viability tests of HAp:Gd/Yb/Tm and HAp:Gd/Eu powders in human dental pulp stem cell cultures indicated their good biocompatibility. © 2019, The Author(s).",
journal = "Scientific Reports",
title = "Rare-earth (Gd3+,Yb3+/Tm3+, Eu3+) co-doped hydroxyapatite as magnetic, up-conversion and down-conversion materials for multimodal imaging",
volume = "9",
number = "1",
pages = "16305",
doi = "10.1038/s41598-019-52885-0"
}
Ignjatović, N. L., Mančić, L., Vuković, M., Stojanović, Z. S., Nikolić, M. G., Škapin, S. D., Jovanović, S., Veselinović, L. M., Uskoković, V., Lazić, S., Marković, S., Lazarević, M. M.,& Uskoković, D.. (2019). Rare-earth (Gd3+,Yb3+/Tm3+, Eu3+) co-doped hydroxyapatite as magnetic, up-conversion and down-conversion materials for multimodal imaging. in Scientific Reports, 9(1), 16305.
https://doi.org/10.1038/s41598-019-52885-0
Ignjatović NL, Mančić L, Vuković M, Stojanović ZS, Nikolić MG, Škapin SD, Jovanović S, Veselinović LM, Uskoković V, Lazić S, Marković S, Lazarević MM, Uskoković D. Rare-earth (Gd3+,Yb3+/Tm3+, Eu3+) co-doped hydroxyapatite as magnetic, up-conversion and down-conversion materials for multimodal imaging. in Scientific Reports. 2019;9(1):16305.
doi:10.1038/s41598-019-52885-0 .
Ignjatović, Nenad L., Mančić, Lidija, Vuković, Marina, Stojanović, Zoran S., Nikolić, Marko G., Škapin, Srečo Davor, Jovanović, Sonja, Veselinović, Ljiljana M., Uskoković, Vuk, Lazić, Snežana, Marković, Smilja, Lazarević, Miloš M., Uskoković, Dragan, "Rare-earth (Gd3+,Yb3+/Tm3+, Eu3+) co-doped hydroxyapatite as magnetic, up-conversion and down-conversion materials for multimodal imaging" in Scientific Reports, 9, no. 1 (2019):16305,
https://doi.org/10.1038/s41598-019-52885-0 . .
1
26
16
23

Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand

Perić, Marko R.; Kyne, Sara H.; Gruden, Maja; Rodić, Marko V.; Jeremić, Dejan; Stanković, Dalibor M.; Brčeski, Ilija

(2019)

TY  - JOUR
AU  - Perić, Marko R.
AU  - Kyne, Sara H.
AU  - Gruden, Maja
AU  - Rodić, Marko V.
AU  - Jeremić, Dejan
AU  - Stanković, Dalibor M.
AU  - Brčeski, Ilija
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8381
AB  - In this work we present the synthesis, and experimental and theoretical analysis of a binuclear nickel(II) complex coordinated to a new phthalazine dihydrazone-based ligand. Single-crystal X-ray diffraction analysis of the metal complex shows that the coordination geometry around each nickel(II) atom is distorted octahedral. DFT calculations predict that the magnetic exchange coupling constant of the binuclear nickel(II) complex is predominantly anti-ferromagnetic.
T2  - Monatshefte fur Chemie
T1  - Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand
VL  - 150
IS  - 7
SP  - 1241
EP  - 1248
DO  - 10.1007/s00706-019-02405-7
ER  - 
@article{
author = "Perić, Marko R. and Kyne, Sara H. and Gruden, Maja and Rodić, Marko V. and Jeremić, Dejan and Stanković, Dalibor M. and Brčeski, Ilija",
year = "2019",
abstract = "In this work we present the synthesis, and experimental and theoretical analysis of a binuclear nickel(II) complex coordinated to a new phthalazine dihydrazone-based ligand. Single-crystal X-ray diffraction analysis of the metal complex shows that the coordination geometry around each nickel(II) atom is distorted octahedral. DFT calculations predict that the magnetic exchange coupling constant of the binuclear nickel(II) complex is predominantly anti-ferromagnetic.",
journal = "Monatshefte fur Chemie",
title = "Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand",
volume = "150",
number = "7",
pages = "1241-1248",
doi = "10.1007/s00706-019-02405-7"
}
Perić, M. R., Kyne, S. H., Gruden, M., Rodić, M. V., Jeremić, D., Stanković, D. M.,& Brčeski, I.. (2019). Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand. in Monatshefte fur Chemie, 150(7), 1241-1248.
https://doi.org/10.1007/s00706-019-02405-7
Perić MR, Kyne SH, Gruden M, Rodić MV, Jeremić D, Stanković DM, Brčeski I. Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand. in Monatshefte fur Chemie. 2019;150(7):1241-1248.
doi:10.1007/s00706-019-02405-7 .
Perić, Marko R., Kyne, Sara H., Gruden, Maja, Rodić, Marko V., Jeremić, Dejan, Stanković, Dalibor M., Brčeski, Ilija, "Synthesis, structural and DFT analysis of a binuclear nickel(II) complex with the 1,4-bis[2-[2-(diphenylphosphino)benzylidene]]phthalazinylhydrazone ligand" in Monatshefte fur Chemie, 150, no. 7 (2019):1241-1248,
https://doi.org/10.1007/s00706-019-02405-7 . .
1
1

First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand

Jaćimović, Željko K.; Novaković, Slađana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen

(2019)

TY  - JOUR
AU  - Jaćimović, Željko K.
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Giester, Gerald
AU  - Kosović, Milica
AU  - Libowitzky, Eugen
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8540
AB  - Pyrazole (pz)-derived ligands can, besides exhibiting a strong coordination ability toward different metal ions, exhibit a great diversity in their coordination geometry and nuclearity, which can be achieved by varying the type and position of the pz substituents. The present study reports the synthesis and crystal structure of two binuclear complexes, namely bis(μ-4-nitro-1 H -imidazol-1-ide-5-carboxylato)-κ 3 N 1 , O : N 2 ;κ 3 N 2 : N 1 , O -bis[aqua(dimethylformamide-κ O )copper(II)], [Cu 2 (C 4 HN 3 O 4 ) 2 (C 3 H 7 NO) 2 (H 2 O) 2 ], (II), and bis(μ-4-nitro-1 H -imidazol-1-ide-5-carboxylato)-κ 2 N 1 , O : N 2 ;κ 2 N 2 : N 1 , O -bis[triaquacobalt(II)] dihydrate, [Co 2 (C 4 HN 3 O 4 ) 2 (H 2 O) 6 ]·2H 2 O, (III). These compounds represent rare examples of metal complexes comprising 3,4-substituted pz derivatives as a bridging ligand and also the first crystal structures of transition-metal complexes with ligands derived from 4-nitropyrazole-3-carboxylic acid. Recently, the crystal structures of the same ligand in the neutral and mixed neutral/anionic forms have been reported. We present here the third form of this ligand, where it is present in a fully deprotonated anionic form within a salt, i.e. ammonium 4-nitropyrazole-3-carboxylate, NH 4 + ·C 4 H 2 N 3 O 4 − , (I). Single-crystal X-ray diffraction revealed that in the present complexes, the Cu II and Co II centres adopt distorted square-pyramidal and octahedral geometries, respectively. In both cases, the N , N ′, O -coordinated pz ligand shows simultaneously chelating and bridging coordination modes, leading to the formation of a nearly planar six-membered M 2 N 4 metallocycle. In all three crystal structures, the supramolecular arrangement is controlled by strong hydrogen bonds which primarily engage the carboxylate O atoms as acceptors, while the nitro group adopts the role of an acceptor only in structures with an increased number of donors, as is the case with Co II complex (III). The electrostatic potential, as a descriptor of reactivity, was also calculated in order to examine the changes in ligand electrostatic preferences upon coordination to metal ions.
T2  - Acta Crystallographica Section C Structural Chemistry
T1  - First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand
VL  - 75
IS  - 3
SP  - 255
EP  - 264
DO  - 10.1107/S2053229619001244
ER  - 
@article{
author = "Jaćimović, Željko K. and Novaković, Slađana B. and Bogdanović, Goran A. and Giester, Gerald and Kosović, Milica and Libowitzky, Eugen",
year = "2019",
abstract = "Pyrazole (pz)-derived ligands can, besides exhibiting a strong coordination ability toward different metal ions, exhibit a great diversity in their coordination geometry and nuclearity, which can be achieved by varying the type and position of the pz substituents. The present study reports the synthesis and crystal structure of two binuclear complexes, namely bis(μ-4-nitro-1 H -imidazol-1-ide-5-carboxylato)-κ 3 N 1 , O : N 2 ;κ 3 N 2 : N 1 , O -bis[aqua(dimethylformamide-κ O )copper(II)], [Cu 2 (C 4 HN 3 O 4 ) 2 (C 3 H 7 NO) 2 (H 2 O) 2 ], (II), and bis(μ-4-nitro-1 H -imidazol-1-ide-5-carboxylato)-κ 2 N 1 , O : N 2 ;κ 2 N 2 : N 1 , O -bis[triaquacobalt(II)] dihydrate, [Co 2 (C 4 HN 3 O 4 ) 2 (H 2 O) 6 ]·2H 2 O, (III). These compounds represent rare examples of metal complexes comprising 3,4-substituted pz derivatives as a bridging ligand and also the first crystal structures of transition-metal complexes with ligands derived from 4-nitropyrazole-3-carboxylic acid. Recently, the crystal structures of the same ligand in the neutral and mixed neutral/anionic forms have been reported. We present here the third form of this ligand, where it is present in a fully deprotonated anionic form within a salt, i.e. ammonium 4-nitropyrazole-3-carboxylate, NH 4 + ·C 4 H 2 N 3 O 4 − , (I). Single-crystal X-ray diffraction revealed that in the present complexes, the Cu II and Co II centres adopt distorted square-pyramidal and octahedral geometries, respectively. In both cases, the N , N ′, O -coordinated pz ligand shows simultaneously chelating and bridging coordination modes, leading to the formation of a nearly planar six-membered M 2 N 4 metallocycle. In all three crystal structures, the supramolecular arrangement is controlled by strong hydrogen bonds which primarily engage the carboxylate O atoms as acceptors, while the nitro group adopts the role of an acceptor only in structures with an increased number of donors, as is the case with Co II complex (III). The electrostatic potential, as a descriptor of reactivity, was also calculated in order to examine the changes in ligand electrostatic preferences upon coordination to metal ions.",
journal = "Acta Crystallographica Section C Structural Chemistry",
title = "First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand",
volume = "75",
number = "3",
pages = "255-264",
doi = "10.1107/S2053229619001244"
}
Jaćimović, Ž. K., Novaković, S. B., Bogdanović, G. A., Giester, G., Kosović, M.,& Libowitzky, E.. (2019). First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand. in Acta Crystallographica Section C Structural Chemistry, 75(3), 255-264.
https://doi.org/10.1107/S2053229619001244
Jaćimović ŽK, Novaković SB, Bogdanović GA, Giester G, Kosović M, Libowitzky E. First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand. in Acta Crystallographica Section C Structural Chemistry. 2019;75(3):255-264.
doi:10.1107/S2053229619001244 .
Jaćimović, Željko K., Novaković, Slađana B., Bogdanović, Goran A., Giester, Gerald, Kosović, Milica, Libowitzky, Eugen, "First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand" in Acta Crystallographica Section C Structural Chemistry, 75, no. 3 (2019):255-264,
https://doi.org/10.1107/S2053229619001244 . .
1
1
3
3

Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4

Latinović, Nedeljko; Novaković, Slađana B.; Bogdanović, Goran A.; Kastratović, Vlatko; Giester, Gerald; Jaćimović, Željko K.

(2019)

TY  - JOUR
AU  - Latinović, Nedeljko
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Kastratović, Vlatko
AU  - Giester, Gerald
AU  - Jaćimović, Željko K.
PY  - 2019
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/8376
AB  - C 5 H 12 N 6 O 4 , monoclinic, P 2 1 / n (no. 14), a = 4.3368(6) Å, b = 15.483(2) Å, c = 13.8852(19) Å, β = 97.714(3)°, V = 923.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0411, wR ref ( F 2 ) = 0.1109, T = 200(2) K.
T2  - Zeitschrift für Kristallographie - New Crystal Structures
T1  - Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4
VL  - 234
IS  - 5
SP  - 957
EP  - 958
DO  - 10.1515/ncrs-2019-0168
ER  - 
@article{
author = "Latinović, Nedeljko and Novaković, Slađana B. and Bogdanović, Goran A. and Kastratović, Vlatko and Giester, Gerald and Jaćimović, Željko K.",
year = "2019",
abstract = "C 5 H 12 N 6 O 4 , monoclinic, P 2 1 / n (no. 14), a = 4.3368(6) Å, b = 15.483(2) Å, c = 13.8852(19) Å, β = 97.714(3)°, V = 923.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0411, wR ref ( F 2 ) = 0.1109, T = 200(2) K.",
journal = "Zeitschrift für Kristallographie - New Crystal Structures",
title = "Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4",
volume = "234",
number = "5",
pages = "957-958",
doi = "10.1515/ncrs-2019-0168"
}
Latinović, N., Novaković, S. B., Bogdanović, G. A., Kastratović, V., Giester, G.,& Jaćimović, Ž. K.. (2019). Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4. in Zeitschrift für Kristallographie - New Crystal Structures, 234(5), 957-958.
https://doi.org/10.1515/ncrs-2019-0168
Latinović N, Novaković SB, Bogdanović GA, Kastratović V, Giester G, Jaćimović ŽK. Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4. in Zeitschrift für Kristallographie - New Crystal Structures. 2019;234(5):957-958.
doi:10.1515/ncrs-2019-0168 .
Latinović, Nedeljko, Novaković, Slađana B., Bogdanović, Goran A., Kastratović, Vlatko, Giester, Gerald, Jaćimović, Željko K., "Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4" in Zeitschrift für Kristallographie - New Crystal Structures, 234, no. 5 (2019):957-958,
https://doi.org/10.1515/ncrs-2019-0168 . .
1
1

Synthesis, structural and electrochemical characterization of novel 1,3-ketoureas bearing a ferrocenyl group

(2018)

TY  - JOUR
PY  - 2018
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/7583
AB  - Twenty-two novel 1,3-ketourea derivatives bearing ferrocene moiety were synthesized in good-to-excellent yields (up to 99%) via simple and efficient protocol. This solvent- and catalyst-free synthesis was achieved by additions of different ferrocene-containing Mannich bases - 3-(arylamino)-1-ferrocenyl-propan-1-ones to phenyl isocyanate promoted only by ultrasound irradiations at ambient temperature. All synthesized 1-aryl-3-phenyl-1-(3-ferrocenyl-3-oxopropyl)ureas were characterized by standard spectral data (H-1 NMR, C-13 NMR and IR), and their electrochemical behavior were investigated by cyclic voltammetry. Detailed single-crystal X-ray diffraction analysis of three representative ferrocene-containing 1,3-ketoureas, among which one crystallized with two independent molecules in an asymmetric unit, were done. (C) 2017 Elsevier Ltd. All rights reserved.
T2  - Polyhedron
T1  - Synthesis, structural and electrochemical characterization of novel 1,3-ketoureas bearing a ferrocenyl group
VL  - 141
SP  - 343
EP  - 351
DO  - 10.1016/j.poly.2017.12.018
ER  - 
@article{
year = "2018",
abstract = "Twenty-two novel 1,3-ketourea derivatives bearing ferrocene moiety were synthesized in good-to-excellent yields (up to 99%) via simple and efficient protocol. This solvent- and catalyst-free synthesis was achieved by additions of different ferrocene-containing Mannich bases - 3-(arylamino)-1-ferrocenyl-propan-1-ones to phenyl isocyanate promoted only by ultrasound irradiations at ambient temperature. All synthesized 1-aryl-3-phenyl-1-(3-ferrocenyl-3-oxopropyl)ureas were characterized by standard spectral data (H-1 NMR, C-13 NMR and IR), and their electrochemical behavior were investigated by cyclic voltammetry. Detailed single-crystal X-ray diffraction analysis of three representative ferrocene-containing 1,3-ketoureas, among which one crystallized with two independent molecules in an asymmetric unit, were done. (C) 2017 Elsevier Ltd. All rights reserved.",
journal = "Polyhedron",
title = "Synthesis, structural and electrochemical characterization of novel 1,3-ketoureas bearing a ferrocenyl group",
volume = "141",
pages = "343-351",
doi = "10.1016/j.poly.2017.12.018"
}
(2018). Synthesis, structural and electrochemical characterization of novel 1,3-ketoureas bearing a ferrocenyl group. in Polyhedron, 141, 343-351.
https://doi.org/10.1016/j.poly.2017.12.018
Synthesis, structural and electrochemical characterization of novel 1,3-ketoureas bearing a ferrocenyl group. in Polyhedron. 2018;141:343-351.
doi:10.1016/j.poly.2017.12.018 .
"Synthesis, structural and electrochemical characterization of novel 1,3-ketoureas bearing a ferrocenyl group" in Polyhedron, 141 (2018):343-351,
https://doi.org/10.1016/j.poly.2017.12.018 . .
1
1
3
3

Acryloylferrocene as a convenient precursor of tetrahydropyrazolopyrazolones: [3+2] cycloaddition with N,N′ -Cyclic azomethine imines

Jovanović, Jovana P.; Novaković, Slađana B.; Bogdanović, Goran A.; Minić, Aleksandra; Pejović, Anka; Katanić, Jelena; Mihailović, Vladimir B.; Nastasijević, Branislav J.; Stevanović, Dragana D.; Damljanović, Ivan S.

(2018)

TY  - JOUR
AU  - Jovanović, Jovana P.
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Minić, Aleksandra
AU  - Pejović, Anka
AU  - Katanić, Jelena
AU  - Mihailović, Vladimir B.
AU  - Nastasijević, Branislav J.
AU  - Stevanović, Dragana D.
AU  - Damljanović, Ivan S.
PY  - 2018
UR  - http://linkinghub.elsevier.com/retrieve/pii/S0022328X18301050
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/7635
AB  - AlCl3-Catalyzed {[}3 + 2] dipolar cycloaddition of the N,N'-cyclic azomethine imines to the acryloylferrocene enabling access to the series of 5-substituted 6-ferrocenoyl tetrahydropyrazolo {[}1,2-a]pyrazol-1(5H)-ones. This facile methodology shows high substituent tolerance. Furthermore, easy chromatographic separations afford isolation of the pure diastereoisomers. Optimized reaction conditions, spectroscopic and electrochemical characteristics of the reaction products are provided. The X-ray structural analyses of three cycloadducts were done and obtained results were compared with properties of reported N,N'-bicyclic systems those displayed conformational similarity. Antibacterial activities of all products against two Gram-positive and two Gram-negative bacterial strains were evaluated by the experimental methods. (c) 2018 Elsevier B.V. All rights reserved.
T2  - Journal of Organometallic Chemistry
T1  - Acryloylferrocene as a convenient precursor of tetrahydropyrazolopyrazolones: [3+2] cycloaddition with N,N′ -Cyclic azomethine imines
VL  - 860
SP  - 85
EP  - 97
DO  - 10.1016/j.jorganchem.2018.02.016
ER  - 
@article{
author = "Jovanović, Jovana P. and Novaković, Slađana B. and Bogdanović, Goran A. and Minić, Aleksandra and Pejović, Anka and Katanić, Jelena and Mihailović, Vladimir B. and Nastasijević, Branislav J. and Stevanović, Dragana D. and Damljanović, Ivan S.",
year = "2018",
abstract = "AlCl3-Catalyzed {[}3 + 2] dipolar cycloaddition of the N,N'-cyclic azomethine imines to the acryloylferrocene enabling access to the series of 5-substituted 6-ferrocenoyl tetrahydropyrazolo {[}1,2-a]pyrazol-1(5H)-ones. This facile methodology shows high substituent tolerance. Furthermore, easy chromatographic separations afford isolation of the pure diastereoisomers. Optimized reaction conditions, spectroscopic and electrochemical characteristics of the reaction products are provided. The X-ray structural analyses of three cycloadducts were done and obtained results were compared with properties of reported N,N'-bicyclic systems those displayed conformational similarity. Antibacterial activities of all products against two Gram-positive and two Gram-negative bacterial strains were evaluated by the experimental methods. (c) 2018 Elsevier B.V. All rights reserved.",
journal = "Journal of Organometallic Chemistry",
title = "Acryloylferrocene as a convenient precursor of tetrahydropyrazolopyrazolones: [3+2] cycloaddition with N,N′ -Cyclic azomethine imines",
volume = "860",
pages = "85-97",
doi = "10.1016/j.jorganchem.2018.02.016"
}
Jovanović, J. P., Novaković, S. B., Bogdanović, G. A., Minić, A., Pejović, A., Katanić, J., Mihailović, V. B., Nastasijević, B. J., Stevanović, D. D.,& Damljanović, I. S.. (2018). Acryloylferrocene as a convenient precursor of tetrahydropyrazolopyrazolones: [3+2] cycloaddition with N,N′ -Cyclic azomethine imines. in Journal of Organometallic Chemistry, 860, 85-97.
https://doi.org/10.1016/j.jorganchem.2018.02.016
Jovanović JP, Novaković SB, Bogdanović GA, Minić A, Pejović A, Katanić J, Mihailović VB, Nastasijević BJ, Stevanović DD, Damljanović IS. Acryloylferrocene as a convenient precursor of tetrahydropyrazolopyrazolones: [3+2] cycloaddition with N,N′ -Cyclic azomethine imines. in Journal of Organometallic Chemistry. 2018;860:85-97.
doi:10.1016/j.jorganchem.2018.02.016 .
Jovanović, Jovana P., Novaković, Slađana B., Bogdanović, Goran A., Minić, Aleksandra, Pejović, Anka, Katanić, Jelena, Mihailović, Vladimir B., Nastasijević, Branislav J., Stevanović, Dragana D., Damljanović, Ivan S., "Acryloylferrocene as a convenient precursor of tetrahydropyrazolopyrazolones: [3+2] cycloaddition with N,N′ -Cyclic azomethine imines" in Journal of Organometallic Chemistry, 860 (2018):85-97,
https://doi.org/10.1016/j.jorganchem.2018.02.016 . .
5
6
7

External magnetic field influence on magnetite and cobalt-ferrite nano-particles in ferrofluid

Kuraica, Milorad M.; Iskrenović, Predrag; Perić, Marko R.; Krstić, Ivan; Nikolić, Aleksandar S.

(2018)

TY  - JOUR
AU  - Kuraica, Milorad M.
AU  - Iskrenović, Predrag
AU  - Perić, Marko R.
AU  - Krstić, Ivan
AU  - Nikolić, Aleksandar S.
PY  - 2018
UR  - http://link.springer.com/10.1007/s11696-017-0380-8
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/7711
AB  - Using simple optical measurements, the selective spectral behavior of suspended nano-particles of magnetite (Fe3O4) and cobalt-ferrite (CoFe2O4) coated with starch, was observed through switching on/off of external magnetic field. The field strength was varied in the interval 30–300 mT. In these transient regimes, the unexpected and unusually large changes of transmitted light occur. An explanation is suggested, within the model based on ordering of magnetic moments of nano-particles along the lines of magnetic field into magnetic chains and organization of magnetic chains into spatial structure—a quasi-lattice. This fact indicates the possibility of more efficient local heating of nano-particles in the fast changing magnetic field; for instance when taking magnetic nano-particles for therapeutic purposes.
T2  - Chemical Papers
T1  - External magnetic field influence on magnetite and cobalt-ferrite nano-particles in ferrofluid
VL  - 72
IS  - 6
SP  - 1535
EP  - 1542
DO  - 10.1007/s11696-017-0380-8
ER  - 
@article{
author = "Kuraica, Milorad M. and Iskrenović, Predrag and Perić, Marko R. and Krstić, Ivan and Nikolić, Aleksandar S.",
year = "2018",
abstract = "Using simple optical measurements, the selective spectral behavior of suspended nano-particles of magnetite (Fe3O4) and cobalt-ferrite (CoFe2O4) coated with starch, was observed through switching on/off of external magnetic field. The field strength was varied in the interval 30–300 mT. In these transient regimes, the unexpected and unusually large changes of transmitted light occur. An explanation is suggested, within the model based on ordering of magnetic moments of nano-particles along the lines of magnetic field into magnetic chains and organization of magnetic chains into spatial structure—a quasi-lattice. This fact indicates the possibility of more efficient local heating of nano-particles in the fast changing magnetic field; for instance when taking magnetic nano-particles for therapeutic purposes.",
journal = "Chemical Papers",
title = "External magnetic field influence on magnetite and cobalt-ferrite nano-particles in ferrofluid",
volume = "72",
number = "6",
pages = "1535-1542",
doi = "10.1007/s11696-017-0380-8"
}
Kuraica, M. M., Iskrenović, P., Perić, M. R., Krstić, I.,& Nikolić, A. S.. (2018). External magnetic field influence on magnetite and cobalt-ferrite nano-particles in ferrofluid. in Chemical Papers, 72(6), 1535-1542.
https://doi.org/10.1007/s11696-017-0380-8
Kuraica MM, Iskrenović P, Perić MR, Krstić I, Nikolić AS. External magnetic field influence on magnetite and cobalt-ferrite nano-particles in ferrofluid. in Chemical Papers. 2018;72(6):1535-1542.
doi:10.1007/s11696-017-0380-8 .
Kuraica, Milorad M., Iskrenović, Predrag, Perić, Marko R., Krstić, Ivan, Nikolić, Aleksandar S., "External magnetic field influence on magnetite and cobalt-ferrite nano-particles in ferrofluid" in Chemical Papers, 72, no. 6 (2018):1535-1542,
https://doi.org/10.1007/s11696-017-0380-8 . .
6
6
6

Short Intramolecular O···O Contact in Some o -Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area

Bogdanović, Goran A.; Ostojić, Bojana D.; Novaković, Slađana B.

(2018)

TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Ostojić, Bojana D.
AU  - Novaković, Slađana B.
PY  - 2018
UR  - http://pubs.acs.org/doi/10.1021/acs.cgd.7b00914
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/7659
AB  - Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of benzene ring. It has been shown that in more than 90% of cases, the fragment has predictable geometrical characteristics where the two ether oxygens form short interatomic O center dot center dot center dot O contact (2.57 A in average), while O-substitutents take trans position, both approximately coplanar with the benzene ring. Such arrangement of oxygen acceptors produces a large and uniform area of the negative electrostatic potential suitable for multiple hydrogen bonding. The acceptor abilities of the O center dot center dot center dot O system have been investigated by the statistical CSD analysis. The ab initio estimation of the interaction energy in the dimer of o-dimethoxybenzene (DMB) and H2O, employed as a model system, is achieved via high-level electron correlation CCSD(T) calculation with the complete basis set extrapolation. The interaction energy is estimated to be 6.5 kcal/mol. The results indicate the existence of a very flat potential the region between methoxy oxygens and that DMB water is a highly flexible system. The structural role of the O center dot center dot center dot O acceptor system is particularly interesting considering its ability to form multiple hydrogen bonding
T2  - Crystal Growth & Design
T1  - Short Intramolecular O···O Contact in Some o -Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area
VL  - 18
IS  - 3
SP  - 1303
EP  - 1314
DO  - 10.1021/acs.cgd.7b00914
ER  - 
@article{
author = "Bogdanović, Goran A. and Ostojić, Bojana D. and Novaković, Slađana B.",
year = "2018",
abstract = "Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen acceptors in ortho positions of benzene ring. It has been shown that in more than 90% of cases, the fragment has predictable geometrical characteristics where the two ether oxygens form short interatomic O center dot center dot center dot O contact (2.57 A in average), while O-substitutents take trans position, both approximately coplanar with the benzene ring. Such arrangement of oxygen acceptors produces a large and uniform area of the negative electrostatic potential suitable for multiple hydrogen bonding. The acceptor abilities of the O center dot center dot center dot O system have been investigated by the statistical CSD analysis. The ab initio estimation of the interaction energy in the dimer of o-dimethoxybenzene (DMB) and H2O, employed as a model system, is achieved via high-level electron correlation CCSD(T) calculation with the complete basis set extrapolation. The interaction energy is estimated to be 6.5 kcal/mol. The results indicate the existence of a very flat potential the region between methoxy oxygens and that DMB water is a highly flexible system. The structural role of the O center dot center dot center dot O acceptor system is particularly interesting considering its ability to form multiple hydrogen bonding",
journal = "Crystal Growth & Design",
title = "Short Intramolecular O···O Contact in Some o -Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area",
volume = "18",
number = "3",
pages = "1303-1314",
doi = "10.1021/acs.cgd.7b00914"
}
Bogdanović, G. A., Ostojić, B. D.,& Novaković, S. B.. (2018). Short Intramolecular O···O Contact in Some o -Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area. in Crystal Growth & Design, 18(3), 1303-1314.
https://doi.org/10.1021/acs.cgd.7b00914
Bogdanović GA, Ostojić BD, Novaković SB. Short Intramolecular O···O Contact in Some o -Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area. in Crystal Growth & Design. 2018;18(3):1303-1314.
doi:10.1021/acs.cgd.7b00914 .
Bogdanović, Goran A., Ostojić, Bojana D., Novaković, Slađana B., "Short Intramolecular O···O Contact in Some o -Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area" in Crystal Growth & Design, 18, no. 3 (2018):1303-1314,
https://doi.org/10.1021/acs.cgd.7b00914 . .
3
3

Voltammetric Study of Antitumor Efficient Ethylenediamine-Type of Ligands

Mihajlović-Lalić, Ljiljana E.; Stanković, Dalibor M.; Poljarević, Jelena M.; Sabo, Tibor J.; Manojlović, Dragan D.

(2018)

TY  - JOUR
AU  - Mihajlović-Lalić, Ljiljana E.
AU  - Stanković, Dalibor M.
AU  - Poljarević, Jelena M.
AU  - Sabo, Tibor J.
AU  - Manojlović, Dragan D.
PY  - 2018
UR  - http://jes.ecsdl.org/lookup/doi/10.1149/2.1121810jes
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/7892
AB  - The electrochemical behavior of four dialkyl esters (methyl, ethyl, n-propyl and n-butyl) of (S,S)-α,α ′-(1,2-ethanediyldiimino)- bis[cyclohexanepropanoic acid] with moderate antitumor activity has been studied by cyclic voltammetry. I-E curves recorded at boron-doped diamond electrode in -2.00 < Ep < 0.00 V range show a single oxidative peak located in the -0.95 < Ep,a < -0.52 V region in a form of one-electron wave. The electrochemical processes appear to be irreversible for all compounds except for the compound with methyl substituent which demonstrates well-defined reversible electron transfer. Derivatives with bulkier moieties are easier to oxidize. For all investigated compounds an amine-centered redox process is dominant. Further investigation indicates that electrochemical reaction is diffusion controlled, chemically irreversible process. The results are discussed in terms of linking their electrochemical activity to antitumor effect. © 2018 The Electrochemical Society.
T2  - Journal of The Electrochemical Society
T1  - Voltammetric Study of Antitumor Efficient Ethylenediamine-Type of Ligands
VL  - 165
IS  - 10
SP  - G123
EP  - G127
DO  - 10.1149/2.1121810jes
ER  - 
@article{
author = "Mihajlović-Lalić, Ljiljana E. and Stanković, Dalibor M. and Poljarević, Jelena M. and Sabo, Tibor J. and Manojlović, Dragan D.",
year = "2018",
abstract = "The electrochemical behavior of four dialkyl esters (methyl, ethyl, n-propyl and n-butyl) of (S,S)-α,α ′-(1,2-ethanediyldiimino)- bis[cyclohexanepropanoic acid] with moderate antitumor activity has been studied by cyclic voltammetry. I-E curves recorded at boron-doped diamond electrode in -2.00 < Ep < 0.00 V range show a single oxidative peak located in the -0.95 < Ep,a < -0.52 V region in a form of one-electron wave. The electrochemical processes appear to be irreversible for all compounds except for the compound with methyl substituent which demonstrates well-defined reversible electron transfer. Derivatives with bulkier moieties are easier to oxidize. For all investigated compounds an amine-centered redox process is dominant. Further investigation indicates that electrochemical reaction is diffusion controlled, chemically irreversible process. The results are discussed in terms of linking their electrochemical activity to antitumor effect. © 2018 The Electrochemical Society.",
journal = "Journal of The Electrochemical Society",
title = "Voltammetric Study of Antitumor Efficient Ethylenediamine-Type of Ligands",
volume = "165",
number = "10",
pages = "G123-G127",
doi = "10.1149/2.1121810jes"
}
Mihajlović-Lalić, L. E., Stanković, D. M., Poljarević, J. M., Sabo, T. J.,& Manojlović, D. D.. (2018). Voltammetric Study of Antitumor Efficient Ethylenediamine-Type of Ligands. in Journal of The Electrochemical Society, 165(10), G123-G127.
https://doi.org/10.1149/2.1121810jes
Mihajlović-Lalić LE, Stanković DM, Poljarević JM, Sabo TJ, Manojlović DD. Voltammetric Study of Antitumor Efficient Ethylenediamine-Type of Ligands. in Journal of The Electrochemical Society. 2018;165(10):G123-G127.
doi:10.1149/2.1121810jes .
Mihajlović-Lalić, Ljiljana E., Stanković, Dalibor M., Poljarević, Jelena M., Sabo, Tibor J., Manojlović, Dragan D., "Voltammetric Study of Antitumor Efficient Ethylenediamine-Type of Ligands" in Journal of The Electrochemical Society, 165, no. 10 (2018):G123-G127,
https://doi.org/10.1149/2.1121810jes . .

Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid

Bukonjic, Andriana M.; Tomovic, Dugan Lj.; Nikolić, Miloš V.; Mijajlović, Marina Ž.; Jevtić, Verica V.; Ratković, Zoran R.; Novaković, Slađana B.; Bogdanović, Goran A.; Radojevic, Ivana D.; Maksimovic, Jovana Z.; Vasić, Sava M.; Comic, Ljiljana R.; Trifunović, Srećko R.; Radić, Gordana P.

(2017)

TY  - JOUR
AU  - Bukonjic, Andriana M.
AU  - Tomovic, Dugan Lj.
AU  - Nikolić, Miloš V.
AU  - Mijajlović, Marina Ž.
AU  - Jevtić, Verica V.
AU  - Ratković, Zoran R.
AU  - Novaković, Slađana B.
AU  - Bogdanović, Goran A.
AU  - Radojevic, Ivana D.
AU  - Maksimovic, Jovana Z.
AU  - Vasić, Sava M.
AU  - Comic, Ljiljana R.
AU  - Trifunović, Srećko R.
AU  - Radić, Gordana P.
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1296
AB  - The spectroscopically predicted structure of the obtained copper(II)-complex with S-propyl derivative of thiosalicylic acid was confirmed by X-ray structural study. The binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid crystallized in two polymorphic forms with main structural difference in the orientation of phenyl rings relative to corresponding carboxylate groups. The antibacterial activity was tested determining the minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC) by using microdilution method. The influence on bacterial biofilm formation was determined by tissue culture plate method. In general, the copper(II)-complexes manifested a selective and moderate activity. The most sensitive bacteria to the effects of Cu(II)-complexes was a clinical isolate of Pseudomonas aeruginosa. For this bacteria MIC and biofilm inhibitory concentration (BIC) values for all tested complexes were in the range or better than the positive control, doxycycline. Also, for the established biofilm of clinical isolate Staphylococcus aureus, BIC values for the copper(II)-complex with S-ethyl derivative of thiosalicylic acid, [Cu-2(S-et-thiosal)(4)(H2O)(2)] (C3) and copper(II)-complex with S-butyl derivative of thiosalicylic acid, [Cu-2(S-bu-thiosal)(4)(H2O)(2)] (C5) were in range or better than the positive control. All the complexes acted better against Gram-positive bacteria (Staphylococcus aureus and Staphylococcus aureus ATCC 25923) than Gram-negative bacteria (Proteus mirabilis ATCC 12453, Pseudomonas aeruginosa, and P. aeruginosa. ATCC 27855). The complexes showed weak antioxidative properties tested by two methods (1,1-diphenyl-2-picrylhydrazyl (DPPH) and reducing power assay). (C) 2016 Elsevier B.V. All rights reserved.
T2  - Journal of Molecular Structure
T1  - Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid
VL  - 1128
SP  - 330
EP  - 337
DO  - 10.1016/j.molstruc.2016.08.086
ER  - 
@article{
author = "Bukonjic, Andriana M. and Tomovic, Dugan Lj. and Nikolić, Miloš V. and Mijajlović, Marina Ž. and Jevtić, Verica V. and Ratković, Zoran R. and Novaković, Slađana B. and Bogdanović, Goran A. and Radojevic, Ivana D. and Maksimovic, Jovana Z. and Vasić, Sava M. and Comic, Ljiljana R. and Trifunović, Srećko R. and Radić, Gordana P.",
year = "2017",
abstract = "The spectroscopically predicted structure of the obtained copper(II)-complex with S-propyl derivative of thiosalicylic acid was confirmed by X-ray structural study. The binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid crystallized in two polymorphic forms with main structural difference in the orientation of phenyl rings relative to corresponding carboxylate groups. The antibacterial activity was tested determining the minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC) by using microdilution method. The influence on bacterial biofilm formation was determined by tissue culture plate method. In general, the copper(II)-complexes manifested a selective and moderate activity. The most sensitive bacteria to the effects of Cu(II)-complexes was a clinical isolate of Pseudomonas aeruginosa. For this bacteria MIC and biofilm inhibitory concentration (BIC) values for all tested complexes were in the range or better than the positive control, doxycycline. Also, for the established biofilm of clinical isolate Staphylococcus aureus, BIC values for the copper(II)-complex with S-ethyl derivative of thiosalicylic acid, [Cu-2(S-et-thiosal)(4)(H2O)(2)] (C3) and copper(II)-complex with S-butyl derivative of thiosalicylic acid, [Cu-2(S-bu-thiosal)(4)(H2O)(2)] (C5) were in range or better than the positive control. All the complexes acted better against Gram-positive bacteria (Staphylococcus aureus and Staphylococcus aureus ATCC 25923) than Gram-negative bacteria (Proteus mirabilis ATCC 12453, Pseudomonas aeruginosa, and P. aeruginosa. ATCC 27855). The complexes showed weak antioxidative properties tested by two methods (1,1-diphenyl-2-picrylhydrazyl (DPPH) and reducing power assay). (C) 2016 Elsevier B.V. All rights reserved.",
journal = "Journal of Molecular Structure",
title = "Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid",
volume = "1128",
pages = "330-337",
doi = "10.1016/j.molstruc.2016.08.086"
}
Bukonjic, A. M., Tomovic, D. Lj., Nikolić, M. V., Mijajlović, M. Ž., Jevtić, V. V., Ratković, Z. R., Novaković, S. B., Bogdanović, G. A., Radojevic, I. D., Maksimovic, J. Z., Vasić, S. M., Comic, L. R., Trifunović, S. R.,& Radić, G. P.. (2017). Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid. in Journal of Molecular Structure, 1128, 330-337.
https://doi.org/10.1016/j.molstruc.2016.08.086
Bukonjic AM, Tomovic DL, Nikolić MV, Mijajlović MŽ, Jevtić VV, Ratković ZR, Novaković SB, Bogdanović GA, Radojevic ID, Maksimovic JZ, Vasić SM, Comic LR, Trifunović SR, Radić GP. Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid. in Journal of Molecular Structure. 2017;1128:330-337.
doi:10.1016/j.molstruc.2016.08.086 .
Bukonjic, Andriana M., Tomovic, Dugan Lj., Nikolić, Miloš V., Mijajlović, Marina Ž., Jevtić, Verica V., Ratković, Zoran R., Novaković, Slađana B., Bogdanović, Goran A., Radojevic, Ivana D., Maksimovic, Jovana Z., Vasić, Sava M., Comic, Ljiljana R., Trifunović, Srećko R., Radić, Gordana P., "Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid" in Journal of Molecular Structure, 1128 (2017):330-337,
https://doi.org/10.1016/j.molstruc.2016.08.086 . .
13
13
13

Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study

Xu, Xiao; Spasojević-de Bire, Anne; Ghermani, Nour Eddine; Wei, Yongge; Novaković, Slađana B.; Bošnjaković-Pavlović, Nada; Wu, Pingfan

(2017)

TY  - JOUR
AU  - Xu, Xiao
AU  - Spasojević-de Bire, Anne
AU  - Ghermani, Nour Eddine
AU  - Wei, Yongge
AU  - Novaković, Slađana B.
AU  - Bošnjaković-Pavlović, Nada
AU  - Wu, Pingfan
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1649
AB  - A high resolution X-ray diffraction study has been carried out on [(C4H9)(4)N](2) [V6O13{(OCH2)(3)CCH2OCCH2CH3}(2)] (V6-C3) at 100 K. The V6 core possesses a negative charge, leading to a strong polarization of the anion. A nucleophilic region localized near the organic moiety and an electrophilic region in the vicinity of the V6 core provide an overall description of charge-transfer behavior.
T2  - Physical Chemistry Chemical Physics
T1  - Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study
VL  - 19
IS  - 28
SP  - 18162
EP  - 18166
DO  - 10.1039/c7cp01840a
ER  - 
@article{
author = "Xu, Xiao and Spasojević-de Bire, Anne and Ghermani, Nour Eddine and Wei, Yongge and Novaković, Slađana B. and Bošnjaković-Pavlović, Nada and Wu, Pingfan",
year = "2017",
abstract = "A high resolution X-ray diffraction study has been carried out on [(C4H9)(4)N](2) [V6O13{(OCH2)(3)CCH2OCCH2CH3}(2)] (V6-C3) at 100 K. The V6 core possesses a negative charge, leading to a strong polarization of the anion. A nucleophilic region localized near the organic moiety and an electrophilic region in the vicinity of the V6 core provide an overall description of charge-transfer behavior.",
journal = "Physical Chemistry Chemical Physics",
title = "Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study",
volume = "19",
number = "28",
pages = "18162-18166",
doi = "10.1039/c7cp01840a"
}
Xu, X., Spasojević-de Bire, A., Ghermani, N. E., Wei, Y., Novaković, S. B., Bošnjaković-Pavlović, N.,& Wu, P.. (2017). Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study. in Physical Chemistry Chemical Physics, 19(28), 18162-18166.
https://doi.org/10.1039/c7cp01840a
Xu X, Spasojević-de Bire A, Ghermani NE, Wei Y, Novaković SB, Bošnjaković-Pavlović N, Wu P. Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study. in Physical Chemistry Chemical Physics. 2017;19(28):18162-18166.
doi:10.1039/c7cp01840a .
Xu, Xiao, Spasojević-de Bire, Anne, Ghermani, Nour Eddine, Wei, Yongge, Novaković, Slađana B., Bošnjaković-Pavlović, Nada, Wu, Pingfan, "Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study" in Physical Chemistry Chemical Physics, 19, no. 28 (2017):18162-18166,
https://doi.org/10.1039/c7cp01840a . .
1
7
7
7

Density functional theory calculation of lipophilicity for organophosphate type pesticides

Vlahovic, Filip; Ivanović, Saša; Zlatar, Matija; Gruden, Maja

(2017)

TY  - JOUR
AU  - Vlahovic, Filip
AU  - Ivanović, Saša
AU  - Zlatar, Matija
AU  - Gruden, Maja
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1896
AB  - Density functional method with continuum solvation model is used for the calculation of the partition coefficient log KOW and the determination of lipophilicity of 22 most frequently used organophosphate type pesticides. Excellent agreement with experimental data is obtained using three different density functional approximations (one local, one general gradient and one hybrid), and our results highlight DFT as a reliable and trustworthy method for the calculation of lipophilicity for this important class of molecules. Furthermore, the calculated lipophilicity results are associated with the experimentally determined LD50 and LC50 values, showing that the most toxic pesticides are those with transient characteristics (medium lipophilicity), although this conclusion must be taken with a caution, due to the many factors influencing the ingestion and action of a certain substance in the body besides lipophilicity.
T2  - Journal of the Serbian Chemical Society
T1  - Density functional theory calculation of lipophilicity for organophosphate type pesticides
VL  - 82
IS  - 12
SP  - 1369
EP  - 1378
DO  - 10.2298/JSC170725104V
ER  - 
@article{
author = "Vlahovic, Filip and Ivanović, Saša and Zlatar, Matija and Gruden, Maja",
year = "2017",
abstract = "Density functional method with continuum solvation model is used for the calculation of the partition coefficient log KOW and the determination of lipophilicity of 22 most frequently used organophosphate type pesticides. Excellent agreement with experimental data is obtained using three different density functional approximations (one local, one general gradient and one hybrid), and our results highlight DFT as a reliable and trustworthy method for the calculation of lipophilicity for this important class of molecules. Furthermore, the calculated lipophilicity results are associated with the experimentally determined LD50 and LC50 values, showing that the most toxic pesticides are those with transient characteristics (medium lipophilicity), although this conclusion must be taken with a caution, due to the many factors influencing the ingestion and action of a certain substance in the body besides lipophilicity.",
journal = "Journal of the Serbian Chemical Society",
title = "Density functional theory calculation of lipophilicity for organophosphate type pesticides",
volume = "82",
number = "12",
pages = "1369-1378",
doi = "10.2298/JSC170725104V"
}
Vlahovic, F., Ivanović, S., Zlatar, M.,& Gruden, M.. (2017). Density functional theory calculation of lipophilicity for organophosphate type pesticides. in Journal of the Serbian Chemical Society, 82(12), 1369-1378.
https://doi.org/10.2298/JSC170725104V
Vlahovic F, Ivanović S, Zlatar M, Gruden M. Density functional theory calculation of lipophilicity for organophosphate type pesticides. in Journal of the Serbian Chemical Society. 2017;82(12):1369-1378.
doi:10.2298/JSC170725104V .
Vlahovic, Filip, Ivanović, Saša, Zlatar, Matija, Gruden, Maja, "Density functional theory calculation of lipophilicity for organophosphate type pesticides" in Journal of the Serbian Chemical Society, 82, no. 12 (2017):1369-1378,
https://doi.org/10.2298/JSC170725104V . .
13
13
12

Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids

Cvijetic, Ilija N.; Verbic, Tatjana Z.; Drakulić, Branko J.; Stanković, Dalibor M.; Juranic, Ivan O.; Manojlović, Dragan D.; Zloh, Mire

(2017)

TY  - JOUR
AU  - Cvijetic, Ilija N.
AU  - Verbic, Tatjana Z.
AU  - Drakulić, Branko J.
AU  - Stanković, Dalibor M.
AU  - Juranic, Ivan O.
AU  - Manojlović, Dragan D.
AU  - Zloh, Mire
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1570
AB  - Redox properties of a set of aryldiketo acids (ADKs), small organic molecules that comprise 2,4-dioxobutanoic acid moiety, were studied. Along with well-known HIV-1 integrase (IN) inhibition, ADKs exert widespread biological activities. The aim of this work was to evaluate the effects of aryl substitutions on the properties of the dioxobutanoic moiety that is involved in key interactions with metal ions within the active sites of target enzymes. The effect of pH on the electronic properties of nine congeners was examined using cyclic voltammetry and differential pulse polarography. The compounds were chosen as a simple set of congeners bearing Me-groups on the phenyl ring, which should not be involved in electrochemical reactions, leaving the diketo moiety as the sole electrophore. The substitution pattern was systematically varied, yielding a set having different torsion between the phenyl ring and the aryl keto group (Ar-C(O)). The protonation state of the ADKs at different pH values was determined from the experimentally obtained pK(a) values. The results showed that an equal number of protons and electrons were involved in the oxidation and reduction reactions at the surface of the electrode. Quantitative linear correlations were found between the reduction potentials and the energies of the frontier orbitals, calculated for neutral, mono-anionic and the corresponding radical anionic species, and the steric parameter as two independent variables.
T2  - Journal of the Serbian Chemical Society
T1  - Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids
VL  - 82
IS  - 3
SP  - 303
EP  - 316
DO  - 10.2298/JSC161118021C
ER  - 
@article{
author = "Cvijetic, Ilija N. and Verbic, Tatjana Z. and Drakulić, Branko J. and Stanković, Dalibor M. and Juranic, Ivan O. and Manojlović, Dragan D. and Zloh, Mire",
year = "2017",
abstract = "Redox properties of a set of aryldiketo acids (ADKs), small organic molecules that comprise 2,4-dioxobutanoic acid moiety, were studied. Along with well-known HIV-1 integrase (IN) inhibition, ADKs exert widespread biological activities. The aim of this work was to evaluate the effects of aryl substitutions on the properties of the dioxobutanoic moiety that is involved in key interactions with metal ions within the active sites of target enzymes. The effect of pH on the electronic properties of nine congeners was examined using cyclic voltammetry and differential pulse polarography. The compounds were chosen as a simple set of congeners bearing Me-groups on the phenyl ring, which should not be involved in electrochemical reactions, leaving the diketo moiety as the sole electrophore. The substitution pattern was systematically varied, yielding a set having different torsion between the phenyl ring and the aryl keto group (Ar-C(O)). The protonation state of the ADKs at different pH values was determined from the experimentally obtained pK(a) values. The results showed that an equal number of protons and electrons were involved in the oxidation and reduction reactions at the surface of the electrode. Quantitative linear correlations were found between the reduction potentials and the energies of the frontier orbitals, calculated for neutral, mono-anionic and the corresponding radical anionic species, and the steric parameter as two independent variables.",
journal = "Journal of the Serbian Chemical Society",
title = "Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids",
volume = "82",
number = "3",
pages = "303-316",
doi = "10.2298/JSC161118021C"
}
Cvijetic, I. N., Verbic, T. Z., Drakulić, B. J., Stanković, D. M., Juranic, I. O., Manojlović, D. D.,& Zloh, M.. (2017). Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids. in Journal of the Serbian Chemical Society, 82(3), 303-316.
https://doi.org/10.2298/JSC161118021C
Cvijetic IN, Verbic TZ, Drakulić BJ, Stanković DM, Juranic IO, Manojlović DD, Zloh M. Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids. in Journal of the Serbian Chemical Society. 2017;82(3):303-316.
doi:10.2298/JSC161118021C .
Cvijetic, Ilija N., Verbic, Tatjana Z., Drakulić, Branko J., Stanković, Dalibor M., Juranic, Ivan O., Manojlović, Dragan D., Zloh, Mire, "Redox properties of alkyl-substituted 4-aryl-2,4-dioxobutanoic acids" in Journal of the Serbian Chemical Society, 82, no. 3 (2017):303-316,
https://doi.org/10.2298/JSC161118021C . .
2
2
3

Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation

Baroud, Afya A.; Mihajlović-Lalić, Ljiljana E.; Gligorijević, Nevenka N.; Aranđelović, Sandra; Stanković, Dalibor M.; Radulović, Siniša S.; Van Hecke, Kristof; Savić, Aleksandar; Grgurić-Šipka, Sanja

(2017)

TY  - JOUR
AU  - Baroud, Afya A.
AU  - Mihajlović-Lalić, Ljiljana E.
AU  - Gligorijević, Nevenka N.
AU  - Aranđelović, Sandra
AU  - Stanković, Dalibor M.
AU  - Radulović, Siniša S.
AU  - Van Hecke, Kristof
AU  - Savić, Aleksandar
AU  - Grgurić-Šipka, Sanja
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8852
AB  - Complexes 1-4, [Ru(L)(bpy)(2)]PF6, where bpy=2,2-bipyridine; HL=3-methylpyridine-2-carboxylic acid (HL1), 6-methylpyridine-2-carboxylic acid (HL2), 5-bromopyridine-2-carboxylic acid (HL3) and 6-bromopyridine-2-carboxylic acid (HL4), were synthesized and characterized. The electrochemical character of the complexes was investigated by cyclic voltammetry revealing two reversible reduction waves in the negative range of potentials, most likely due to a reduction of the bipyridine moiety. Cytotoxicity studies by MTT assay for 72h of drug action revealed that 2-4 exhibited moderate activity in cervical human tumor cells (HeLa). Complex 2 exhibited low activity in colon cancer LS-174 cells (180 +/- 10), while all complexes were devoid of activity in lung cancer A549 and non-tumor MRC-5 cells, up to 200M. Combinational studies of the most active complex 2, with pharmacological modulators of cell redox status, L-buthionine-sulfoximine (L-BSO) or N-acetyl-L-cysteine (NAC), showed that when L-BSO potentiated, 2 induced a sub-G1 peak of the cell cycle in the HeLa cell line. UV-vis and cyclic voltammetry were performed in order to investigate the binding mode of 2 to DNA and suggested intercalation for the complex-DNA interaction. [GRAPHICS]
T2  - Journal of Coordination Chemistry
T1  - Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation
VL  - 70
IS  - 5
SP  - 831
EP  - 847
DO  - 10.1080/00958972.2017.1282611
ER  - 
@article{
author = "Baroud, Afya A. and Mihajlović-Lalić, Ljiljana E. and Gligorijević, Nevenka N. and Aranđelović, Sandra and Stanković, Dalibor M. and Radulović, Siniša S. and Van Hecke, Kristof and Savić, Aleksandar and Grgurić-Šipka, Sanja",
year = "2017",
abstract = "Complexes 1-4, [Ru(L)(bpy)(2)]PF6, where bpy=2,2-bipyridine; HL=3-methylpyridine-2-carboxylic acid (HL1), 6-methylpyridine-2-carboxylic acid (HL2), 5-bromopyridine-2-carboxylic acid (HL3) and 6-bromopyridine-2-carboxylic acid (HL4), were synthesized and characterized. The electrochemical character of the complexes was investigated by cyclic voltammetry revealing two reversible reduction waves in the negative range of potentials, most likely due to a reduction of the bipyridine moiety. Cytotoxicity studies by MTT assay for 72h of drug action revealed that 2-4 exhibited moderate activity in cervical human tumor cells (HeLa). Complex 2 exhibited low activity in colon cancer LS-174 cells (180 +/- 10), while all complexes were devoid of activity in lung cancer A549 and non-tumor MRC-5 cells, up to 200M. Combinational studies of the most active complex 2, with pharmacological modulators of cell redox status, L-buthionine-sulfoximine (L-BSO) or N-acetyl-L-cysteine (NAC), showed that when L-BSO potentiated, 2 induced a sub-G1 peak of the cell cycle in the HeLa cell line. UV-vis and cyclic voltammetry were performed in order to investigate the binding mode of 2 to DNA and suggested intercalation for the complex-DNA interaction. [GRAPHICS]",
journal = "Journal of Coordination Chemistry",
title = "Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation",
volume = "70",
number = "5",
pages = "831-847",
doi = "10.1080/00958972.2017.1282611"
}
Baroud, A. A., Mihajlović-Lalić, L. E., Gligorijević, N. N., Aranđelović, S., Stanković, D. M., Radulović, S. S., Van Hecke, K., Savić, A.,& Grgurić-Šipka, S.. (2017). Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation. in Journal of Coordination Chemistry, 70(5), 831-847.
https://doi.org/10.1080/00958972.2017.1282611
Baroud AA, Mihajlović-Lalić LE, Gligorijević NN, Aranđelović S, Stanković DM, Radulović SS, Van Hecke K, Savić A, Grgurić-Šipka S. Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation. in Journal of Coordination Chemistry. 2017;70(5):831-847.
doi:10.1080/00958972.2017.1282611 .
Baroud, Afya A., Mihajlović-Lalić, Ljiljana E., Gligorijević, Nevenka N., Aranđelović, Sandra, Stanković, Dalibor M., Radulović, Siniša S., Van Hecke, Kristof, Savić, Aleksandar, Grgurić-Šipka, Sanja, "Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation" in Journal of Coordination Chemistry, 70, no. 5 (2017):831-847,
https://doi.org/10.1080/00958972.2017.1282611 . .
8
7
7

New ruthenium(II) bipyridyl complex: Synthesis, crystal structure and cytotoxicity

Baroud, Afya A.; Mihajlović-Lalić, Ljiljana E.; Stanković, Dalibor M.; Kajzerberger, Marijana; Van Hecke, Kristof; Grgurić-Šipka, Sanja; Savić, Aleksandar

(2017)

TY  - JOUR
AU  - Baroud, Afya A.
AU  - Mihajlović-Lalić, Ljiljana E.
AU  - Stanković, Dalibor M.
AU  - Kajzerberger, Marijana
AU  - Van Hecke, Kristof
AU  - Grgurić-Šipka, Sanja
AU  - Savić, Aleksandar
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1569
AB  - A new Ru(II) bipyridyl complex with O-4-hydrogenpyridine-2,4-dicarboxylate was synthesized and characterized by IR, NMR and mass spectrometry, X-ray diffraction analysis and elemental analysis. The electrochemical characteristics of the complex were investigated by cyclic voltammetry, revealing Ru(II)/Ru(III) electron transfer in the positive range of potentials. On the opposite potential side, multiple partially reversible peaks were dominant, representing subsequent reductions of the bulky bipyridyl moiety. The cytotoxic activity of the complex was tested in two human cancer cell lines: A549 (lung cancer) and K562 (leukemia) as well as non-tumor MRC-5 cells, by MTT assays. The IC50 values were GT 300 and 177.63+/-2.28 mu M for the A549 and K562 cells, respectively.
T2  - Journal of the Serbian Chemical Society
T1  - New ruthenium(II) bipyridyl complex: Synthesis, crystal structure and cytotoxicity
VL  - 82
IS  - 3
SP  - 267
EP  - 275
DO  - 10.2298/JSC170109025B
ER  - 
@article{
author = "Baroud, Afya A. and Mihajlović-Lalić, Ljiljana E. and Stanković, Dalibor M. and Kajzerberger, Marijana and Van Hecke, Kristof and Grgurić-Šipka, Sanja and Savić, Aleksandar",
year = "2017",
abstract = "A new Ru(II) bipyridyl complex with O-4-hydrogenpyridine-2,4-dicarboxylate was synthesized and characterized by IR, NMR and mass spectrometry, X-ray diffraction analysis and elemental analysis. The electrochemical characteristics of the complex were investigated by cyclic voltammetry, revealing Ru(II)/Ru(III) electron transfer in the positive range of potentials. On the opposite potential side, multiple partially reversible peaks were dominant, representing subsequent reductions of the bulky bipyridyl moiety. The cytotoxic activity of the complex was tested in two human cancer cell lines: A549 (lung cancer) and K562 (leukemia) as well as non-tumor MRC-5 cells, by MTT assays. The IC50 values were GT 300 and 177.63+/-2.28 mu M for the A549 and K562 cells, respectively.",
journal = "Journal of the Serbian Chemical Society",
title = "New ruthenium(II) bipyridyl complex: Synthesis, crystal structure and cytotoxicity",
volume = "82",
number = "3",
pages = "267-275",
doi = "10.2298/JSC170109025B"
}
Baroud, A. A., Mihajlović-Lalić, L. E., Stanković, D. M., Kajzerberger, M., Van Hecke, K., Grgurić-Šipka, S.,& Savić, A.. (2017). New ruthenium(II) bipyridyl complex: Synthesis, crystal structure and cytotoxicity. in Journal of the Serbian Chemical Society, 82(3), 267-275.
https://doi.org/10.2298/JSC170109025B
Baroud AA, Mihajlović-Lalić LE, Stanković DM, Kajzerberger M, Van Hecke K, Grgurić-Šipka S, Savić A. New ruthenium(II) bipyridyl complex: Synthesis, crystal structure and cytotoxicity. in Journal of the Serbian Chemical Society. 2017;82(3):267-275.
doi:10.2298/JSC170109025B .
Baroud, Afya A., Mihajlović-Lalić, Ljiljana E., Stanković, Dalibor M., Kajzerberger, Marijana, Van Hecke, Kristof, Grgurić-Šipka, Sanja, Savić, Aleksandar, "New ruthenium(II) bipyridyl complex: Synthesis, crystal structure and cytotoxicity" in Journal of the Serbian Chemical Society, 82, no. 3 (2017):267-275,
https://doi.org/10.2298/JSC170109025B . .
1
3
2
2

Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation

Baroud, Afya A.; Mihajlović-Lalić, Ljiljana E.; Gligorijević, Nevenka N.; Aranđelović, Sandra; Stanković, Dalibor M.; Radulović, Siniša S.; Van Hecke, Kristof; Savić, Aleksandar; Grgurić-Šipka, Sanja

(2017)

TY  - JOUR
AU  - Baroud, Afya A.
AU  - Mihajlović-Lalić, Ljiljana E.
AU  - Gligorijević, Nevenka N.
AU  - Aranđelović, Sandra
AU  - Stanković, Dalibor M.
AU  - Radulović, Siniša S.
AU  - Van Hecke, Kristof
AU  - Savić, Aleksandar
AU  - Grgurić-Šipka, Sanja
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1438
AB  - Complexes 1-4, [Ru(L)(bpy)(2)]PF6, where bpy=2,2-bipyridine; HL=3-methylpyridine-2-carboxylic acid (HL1), 6-methylpyridine-2-carboxylic acid (HL2), 5-bromopyridine-2-carboxylic acid (HL3) and 6-bromopyridine-2-carboxylic acid (HL4), were synthesized and characterized. The electrochemical character of the complexes was investigated by cyclic voltammetry revealing two reversible reduction waves in the negative range of potentials, most likely due to a reduction of the bipyridine moiety. Cytotoxicity studies by MTT assay for 72h of drug action revealed that 2-4 exhibited moderate activity in cervical human tumor cells (HeLa). Complex 2 exhibited low activity in colon cancer LS-174 cells (180 +/- 10), while all complexes were devoid of activity in lung cancer A549 and non-tumor MRC-5 cells, up to 200M. Combinational studies of the most active complex 2, with pharmacological modulators of cell redox status, L-buthionine-sulfoximine (L-BSO) or N-acetyl-L-cysteine (NAC), showed that when L-BSO potentiated, 2 induced a sub-G1 peak of the cell cycle in the HeLa cell line. UV-vis and cyclic voltammetry were performed in order to investigate the binding mode of 2 to DNA and suggested intercalation for the complex-DNA interaction. [GRAPHICS]
T2  - Journal of Coordination Chemistry
T1  - Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation
VL  - 70
IS  - 5
SP  - 831
EP  - 847
DO  - 10.1080/00958972.2017.1282611
ER  - 
@article{
author = "Baroud, Afya A. and Mihajlović-Lalić, Ljiljana E. and Gligorijević, Nevenka N. and Aranđelović, Sandra and Stanković, Dalibor M. and Radulović, Siniša S. and Van Hecke, Kristof and Savić, Aleksandar and Grgurić-Šipka, Sanja",
year = "2017",
abstract = "Complexes 1-4, [Ru(L)(bpy)(2)]PF6, where bpy=2,2-bipyridine; HL=3-methylpyridine-2-carboxylic acid (HL1), 6-methylpyridine-2-carboxylic acid (HL2), 5-bromopyridine-2-carboxylic acid (HL3) and 6-bromopyridine-2-carboxylic acid (HL4), were synthesized and characterized. The electrochemical character of the complexes was investigated by cyclic voltammetry revealing two reversible reduction waves in the negative range of potentials, most likely due to a reduction of the bipyridine moiety. Cytotoxicity studies by MTT assay for 72h of drug action revealed that 2-4 exhibited moderate activity in cervical human tumor cells (HeLa). Complex 2 exhibited low activity in colon cancer LS-174 cells (180 +/- 10), while all complexes were devoid of activity in lung cancer A549 and non-tumor MRC-5 cells, up to 200M. Combinational studies of the most active complex 2, with pharmacological modulators of cell redox status, L-buthionine-sulfoximine (L-BSO) or N-acetyl-L-cysteine (NAC), showed that when L-BSO potentiated, 2 induced a sub-G1 peak of the cell cycle in the HeLa cell line. UV-vis and cyclic voltammetry were performed in order to investigate the binding mode of 2 to DNA and suggested intercalation for the complex-DNA interaction. [GRAPHICS]",
journal = "Journal of Coordination Chemistry",
title = "Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation",
volume = "70",
number = "5",
pages = "831-847",
doi = "10.1080/00958972.2017.1282611"
}
Baroud, A. A., Mihajlović-Lalić, L. E., Gligorijević, N. N., Aranđelović, S., Stanković, D. M., Radulović, S. S., Van Hecke, K., Savić, A.,& Grgurić-Šipka, S.. (2017). Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation. in Journal of Coordination Chemistry, 70(5), 831-847.
https://doi.org/10.1080/00958972.2017.1282611
Baroud AA, Mihajlović-Lalić LE, Gligorijević NN, Aranđelović S, Stanković DM, Radulović SS, Van Hecke K, Savić A, Grgurić-Šipka S. Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation. in Journal of Coordination Chemistry. 2017;70(5):831-847.
doi:10.1080/00958972.2017.1282611 .
Baroud, Afya A., Mihajlović-Lalić, Ljiljana E., Gligorijević, Nevenka N., Aranđelović, Sandra, Stanković, Dalibor M., Radulović, Siniša S., Van Hecke, Kristof, Savić, Aleksandar, Grgurić-Šipka, Sanja, "Ruthenium(II) bipyridine complexes: from synthesis and crystal structures to electrochemical and cytotoxicity investigation" in Journal of Coordination Chemistry, 70, no. 5 (2017):831-847,
https://doi.org/10.1080/00958972.2017.1282611 . .
8
7
7

Charge Density Analysis of 2-Pyridineformamide N(4)-Methylthiosemicarbazone (Z =4): Role of an Enhanced N-H center dot center dot center dot S Thioureido Dimer

Francuski, Bojana M.; Novaković, Slađana B.; Francuski, Đorđe D.; Bogdanović, Goran A.

(2017)

TY  - JOUR
AU  - Francuski, Bojana M.
AU  - Novaković, Slađana B.
AU  - Francuski, Đorđe D.
AU  - Bogdanović, Goran A.
PY  - 2017
UR  - http://vinar.vin.bg.ac.rs/handle/123456789/1601
AB  - Charge density distribution in 2-pyridineformamide N(4)-methylthiosemicarbazone (TSC4) has been determined using high-resolution X-ray diffraction data (100 K) and Hansen-Coppens multipole formalism. The results are interpreted in terms of Baders quantum theory of atoms in molecules (QTAIM), electrostatic potential analysis, and theoretical calculations (CRYSTAL09). The study highlights the molecular diSsimilarity at the electronic level. The N-H center dot center dot center dot S interactions have a dominant role in Stabilization of the TSC4 crystal Structure. As each of the four S acceptors simultaneously engages in several interactions, the focus of study is on the lone pairs electron density of these acceptors which is particularly able to adjust to the various spatial distributions of the interacting donor groups. The main structural feature of TSC4 is the formation of specific N-H center dot center dot center dot S bonded dimers between two pairs of independent molecules. These dimers are the main building block in the orkstal structure, and with the two additional N-H center dot center dot center dot S contacts they represent a significant enhancement of a typical R-2(2)(8) dirtier synthon which dominates among the thioureido-based crystal structures. Two TSC4 dimers are structurally very similar and exhibit considerable cohesive energy (-20.8 and 21.4 kcal/mol). This: type of dimer is the only structural motif that is common for S acceptors of all four independent molecules.
T2  - Crystal Growth and Design
T1  - Charge Density Analysis of 2-Pyridineformamide N(4)-Methylthiosemicarbazone (Z =4): Role of an Enhanced N-H center dot center dot center dot S Thioureido Dimer
VL  - 17
IS  - 6
SP  - 2993
EP  - 3004
DO  - 10.1021/acs.cgd.6b01620
ER  - 
@article{
author = "Francuski, Bojana M. and Novaković, Slađana B. and Francuski, Đorđe D. and Bogdanović, Goran A.",
year = "2017",
abstract = "Charge density distribution in 2-pyridineformamide N(4)-methylthiosemicarbazone (TSC4) has been determined using high-resolution X-ray diffraction data (100 K) and Hansen-Coppens multipole formalism. The results are interpreted in terms of Baders quantum theory of atoms in molecules (QTAIM), electrostatic potential analysis, and theoretical calculations (CRYSTAL09). The study highlights the molecular diSsimilarity at the electronic level. The N-H center dot center dot center dot S interactions have a dominant role in Stabilization of the TSC4 crystal Structure. As each of the four S acceptors simultaneously engages in several interactions, the focus of study is on the lone pairs electron density of these acceptors which is particularly able to adjust to the various spatial distributions of the interacting donor groups. The main structural feature of TSC4 is the formation of specific N-H center dot center dot center dot S bonded dimers between two pairs of independent molecules. These dimers are the main building block in the orkstal structure, and with the two additional N-H center dot center dot center dot S contacts they represent a significant enhancement of a typical R-2(2)(8) dirtier synthon which dominates among the thioureido-based crystal structures. Two TSC4 dimers are structurally very similar and exhibit considerable cohesive energy (-20.8 and 21.4 kcal/mol). This: type of dimer is the only structural motif that is common for S acceptors of all four independent molecules.",
journal = "Crystal Growth and Design",
title = "Charge Density Analysis of 2-Pyridineformamide N(4)-Methylthiosemicarbazone (Z =4): Role of an Enhanced N-H center dot center dot center dot S Thioureido Dimer",
volume = "17",
number = "6",
pages = "2993-3004",
doi = "10.1021/acs.cgd.6b01620"
}
Francuski, B. M., Novaković, S. B., Francuski, Đ. D.,& Bogdanović, G. A.. (2017). Charge Density Analysis of 2-Pyridineformamide N(4)-Methylthiosemicarbazone (Z =4): Role of an Enhanced N-H center dot center dot center dot S Thioureido Dimer. in Crystal Growth and Design, 17(6), 2993-3004.
https://doi.org/10.1021/acs.cgd.6b01620
Francuski BM, Novaković SB, Francuski ĐD, Bogdanović GA. Charge Density Analysis of 2-Pyridineformamide N(4)-Methylthiosemicarbazone (Z =4): Role of an Enhanced N-H center dot center dot center dot S Thioureido Dimer. in Crystal Growth and Design. 2017;17(6):2993-3004.
doi:10.1021/acs.cgd.6b01620 .
Francuski, Bojana M., Novaković, Slađana B., Francuski, Đorđe D., Bogdanović, Goran A., "Charge Density Analysis of 2-Pyridineformamide N(4)-Methylthiosemicarbazone (Z =4): Role of an Enhanced N-H center dot center dot center dot S Thioureido Dimer" in Crystal Growth and Design, 17, no. 6 (2017):2993-3004,
https://doi.org/10.1021/acs.cgd.6b01620 . .
1
1
1
1