TY  - JOUR
AU  - Mrdjan, Gorana S.
AU  - Matijević, Borko M.
AU  - Vastag, Gyongyi Gy
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar D.
AU  - Milcić, Miloš K.
AU  - Stojiljković, Ivana
PY  - 2020
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1135
AB  - Carbohydrazones are compounds that are increasingly studied due to their wide potential biological activity. Monocarbohydrazones (mCHs), as one of the carbohydrazone derivatives, so far have been poorly investigated. For a more detailed study, in this paper, eighteen compounds of monocarbohydrazones (eight known and ten newly synthesized derivatives) were synthesized and characterized using NMR and IR spectroscopy. As carbohydrazones show E/Z isomerization caused by the presence of the imino group, some of the synthesized mCHs are in the form of a mixture of these two isomers. The effects of specific and nonspecific solvent-solute interactions on the UV absorption maxima shifts were evaluated using linear free energy relationships principles, i.e., using Kamlet-Taft's and Catalan's models. For more information about interactions between dissolved substance and the surrounding medium, correlations have been made with Hansen's solubility parameters. The influence of the structure on the spectral behavior of the compounds tested was interpreted using Hammett's equation. Experimentally obtained physicochemical properties of mCHs were compared to and confirmed with computational methods that included TD-DFT calculations and MP2 geometry optimizations. Graphic abstract
T2  - Chemical Papers
T1  - Synthesis, solvent interactions and computational study of monocarbohydrazones
EP  - 2674
IS  - 8
SP  - 2653
VL  - 74
DO  - 10.1007/s11696-020-01106-4
UR  - conv_1481
ER  - 

@article{
author = "Mrdjan, Gorana S. and Matijević, Borko M. and Vastag, Gyongyi Gy and Božić, Aleksandra R. and Marinković, Aleksandar D. and Milcić, Miloš K. and Stojiljković, Ivana",
year = "2020",
abstract = "Carbohydrazones are compounds that are increasingly studied due to their wide potential biological activity. Monocarbohydrazones (mCHs), as one of the carbohydrazone derivatives, so far have been poorly investigated. For a more detailed study, in this paper, eighteen compounds of monocarbohydrazones (eight known and ten newly synthesized derivatives) were synthesized and characterized using NMR and IR spectroscopy. As carbohydrazones show E/Z isomerization caused by the presence of the imino group, some of the synthesized mCHs are in the form of a mixture of these two isomers. The effects of specific and nonspecific solvent-solute interactions on the UV absorption maxima shifts were evaluated using linear free energy relationships principles, i.e., using Kamlet-Taft's and Catalan's models. For more information about interactions between dissolved substance and the surrounding medium, correlations have been made with Hansen's solubility parameters. The influence of the structure on the spectral behavior of the compounds tested was interpreted using Hammett's equation. Experimentally obtained physicochemical properties of mCHs were compared to and confirmed with computational methods that included TD-DFT calculations and MP2 geometry optimizations. Graphic abstract",
journal = "Chemical Papers",
title = "Synthesis, solvent interactions and computational study of monocarbohydrazones",
pages = "2674-2653",
number = "8",
volume = "74",
doi = "10.1007/s11696-020-01106-4",
url = "conv_1481"
}

Mrdjan, G. S., Matijević, B. M., Vastag, G. G., Božić, A. R., Marinković, A. D., Milcić, M. K.,& Stojiljković, I.. (2020). Synthesis, solvent interactions and computational study of monocarbohydrazones. in Chemical Papers, 74(8), 2653-2674.
https://doi.org/10.1007/s11696-020-01106-4
conv_1481

Mrdjan GS, Matijević BM, Vastag GG, Božić AR, Marinković AD, Milcić MK, Stojiljković I. Synthesis, solvent interactions and computational study of monocarbohydrazones. in Chemical Papers. 2020;74(8):2653-2674.
doi:10.1007/s11696-020-01106-4
conv_1481 .

Mrdjan, Gorana S., Matijević, Borko M., Vastag, Gyongyi Gy, Božić, Aleksandra R., Marinković, Aleksandar D., Milcić, Miloš K., Stojiljković, Ivana, "Synthesis, solvent interactions and computational study of monocarbohydrazones" in Chemical Papers, 74, no. 8 (2020):2653-2674,
https://doi.org/10.1007/s11696-020-01106-4 .,
conv_1481 .

TY  - JOUR
AU  - Apostolov, Suzana
AU  - Vastag, Gyoengyi
AU  - Mrdjan, Gorana
AU  - Nakomcić, Jelena
AU  - Stojiljković, Ivana
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1084
AB  - Barbiturate derivatives were evaluated for their parameters of biological activity by applying linear regression and two multivariate methods (Cluster analysis and Principal component analysis). The lipophilicity of the studied barbiturates was determined on the modified carriers C18 in mixtures of water and four organic modifiers separately (methanol, n-propanol, acetone and tetrahydrofuran) by performing reversed phase thin layer chromatography and by applying relevant software packages. Chromatographic and computational lipophilicity of the examined barbiturates was correlated with the selected pharmacokinetic and toxicological predictors and good relationships were obtained. More concrete results were obtained by multivariate methods which showed that the polarity of the substituent has the greatest influence, and its electronic effects to a lesser extent on the tested parameters of the barbiturate derivatives. Results obtained by multivariate methods also suggest that the chromatographic retention constant, R-M(0), shows a greater resemblance to the parameters of lipophilicity. The chromatographic parameter m, exhibits better agreement with the toxicity parameters. [GRAPHICS] .
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Chromatographic descriptors in QSAR study of barbiturates
EP  - 203
IS  - 7-8
SP  - 194
VL  - 42
DO  - 10.1080/10826076.2019.1590207
UR  - conv_1422
ER  - 

@article{
author = "Apostolov, Suzana and Vastag, Gyoengyi and Mrdjan, Gorana and Nakomcić, Jelena and Stojiljković, Ivana",
year = "2019",
abstract = "Barbiturate derivatives were evaluated for their parameters of biological activity by applying linear regression and two multivariate methods (Cluster analysis and Principal component analysis). The lipophilicity of the studied barbiturates was determined on the modified carriers C18 in mixtures of water and four organic modifiers separately (methanol, n-propanol, acetone and tetrahydrofuran) by performing reversed phase thin layer chromatography and by applying relevant software packages. Chromatographic and computational lipophilicity of the examined barbiturates was correlated with the selected pharmacokinetic and toxicological predictors and good relationships were obtained. More concrete results were obtained by multivariate methods which showed that the polarity of the substituent has the greatest influence, and its electronic effects to a lesser extent on the tested parameters of the barbiturate derivatives. Results obtained by multivariate methods also suggest that the chromatographic retention constant, R-M(0), shows a greater resemblance to the parameters of lipophilicity. The chromatographic parameter m, exhibits better agreement with the toxicity parameters. [GRAPHICS] .",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Chromatographic descriptors in QSAR study of barbiturates",
pages = "203-194",
number = "7-8",
volume = "42",
doi = "10.1080/10826076.2019.1590207",
url = "conv_1422"
}

Apostolov, S., Vastag, G., Mrdjan, G., Nakomcić, J.,& Stojiljković, I.. (2019). Chromatographic descriptors in QSAR study of barbiturates. in Journal of Liquid Chromatography & Related Technologies, 42(7-8), 194-203.
https://doi.org/10.1080/10826076.2019.1590207
conv_1422

Apostolov S, Vastag G, Mrdjan G, Nakomcić J, Stojiljković I. Chromatographic descriptors in QSAR study of barbiturates. in Journal of Liquid Chromatography & Related Technologies. 2019;42(7-8):194-203.
doi:10.1080/10826076.2019.1590207
conv_1422 .

Apostolov, Suzana, Vastag, Gyoengyi, Mrdjan, Gorana, Nakomcić, Jelena, Stojiljković, Ivana, "Chromatographic descriptors in QSAR study of barbiturates" in Journal of Liquid Chromatography & Related Technologies, 42, no. 7-8 (2019):194-203,
https://doi.org/10.1080/10826076.2019.1590207 .,
conv_1422 .

TY  - JOUR
AU  - Ajaj, Ismail
AU  - Assaleh, Fathi H.
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Brković, Danijela
AU  - Milcić, Miloš
AU  - Marinković, Aleksandar D.
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1020
AB  - The state of the tautomeric equilibria of eleven arylazo pyridone dyes was evaluated from UV-Vis absorption spectra with the aid of the quantum mechanical modeling. NMR analysis and theoretical calculations, by using PCM/omega B97X-D/6-311G(d,p) method, confirmed that prepared compounds exist mainly in Hydrazo form. Internal hydrogen bonding in Hydrazo tautomer, analyzed by AIM topological analysis and total electron density at the bond critical point (BCP), confirmed a presence of strong hydrogen bond which contributes to higher stability of Hydrazo form. Linear solvation energy relationships (LSERs) rationalized solvent influence on solvatochromism of all compounds in Hydrazo form and K-T by using Kamlet-Taft model. Linear free energy relationships (LFERs) were applied to the substituent-inducedNMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Density plots over the highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO) energy surface provide information on the charge transfer during excitation. The molecular electrostatic potential (MEP) surface map was plotted over the optimized geometry of the molecules in order to visualize electron density distribution and explain origin of solvent/solute interactions.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study
EP  - 3478
IS  - 8
SP  - 3463
VL  - 12
UR  - conv_2390
ER  - 

@article{
author = "Ajaj, Ismail and Assaleh, Fathi H. and Markovski, Jasmina and Rančić, Milica and Brković, Danijela and Milcić, Miloš and Marinković, Aleksandar D.",
year = "2019",
abstract = "The state of the tautomeric equilibria of eleven arylazo pyridone dyes was evaluated from UV-Vis absorption spectra with the aid of the quantum mechanical modeling. NMR analysis and theoretical calculations, by using PCM/omega B97X-D/6-311G(d,p) method, confirmed that prepared compounds exist mainly in Hydrazo form. Internal hydrogen bonding in Hydrazo tautomer, analyzed by AIM topological analysis and total electron density at the bond critical point (BCP), confirmed a presence of strong hydrogen bond which contributes to higher stability of Hydrazo form. Linear solvation energy relationships (LSERs) rationalized solvent influence on solvatochromism of all compounds in Hydrazo form and K-T by using Kamlet-Taft model. Linear free energy relationships (LFERs) were applied to the substituent-inducedNMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Density plots over the highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO) energy surface provide information on the charge transfer during excitation. The molecular electrostatic potential (MEP) surface map was plotted over the optimized geometry of the molecules in order to visualize electron density distribution and explain origin of solvent/solute interactions.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study",
pages = "3478-3463",
number = "8",
volume = "12",
url = "conv_2390"
}

Ajaj, I., Assaleh, F. H., Markovski, J., Rančić, M., Brković, D., Milcić, M.,& Marinković, A. D.. (2019). Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study. in Arabian Journal of Chemistry
Elsevier., 12(8), 3463-3478.
conv_2390

Ajaj I, Assaleh FH, Markovski J, Rančić M, Brković D, Milcić M, Marinković AD. Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study. in Arabian Journal of Chemistry. 2019;12(8):3463-3478.
conv_2390 .

Ajaj, Ismail, Assaleh, Fathi H., Markovski, Jasmina, Rančić, Milica, Brković, Danijela, Milcić, Miloš, Marinković, Aleksandar D., "Solvatochromism and azo-hydrazo tautomerism of novel arylazo pyridone dyes: Experimental and quantum chemical study" in Arabian Journal of Chemistry, 12, no. 8 (2019):3463-3478,
conv_2390 .

TY  - JOUR
AU  - Rančić, Milica
AU  - Stojiljković, Ivana
AU  - Milošević, Milena
AU  - Prlainović, Nevena
AU  - Jovanović, Maja
AU  - Milcić, Miloš K.
AU  - Marinković, Aleksandar D.
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1002
AB  - The substituent and solvent effect on intramolecular charge transfer (ICT) in 5-aryli dene-3-methyl-2,4-thiazolidinediones (series 1) and 5-arylidene-3-phenyl-2,4-thiazolidinediones (series 2) was studied by using experimental and theoretical methodology. The effect of specific and non-specific solvent-solute interactions on the UV-vis absorption maxima shifts was evaluated by using the Kamlet-Taft and Catalan solvent parameter sets. Linear free energy relationships (LFERs) have been applied to the UV-vis and C-13 NMR data by using SSP (single substituent parameter) and DSP (dual substituent parameters). Comparative LFER analysis of 10 styrenic series was performed in order to distinguish contribution of structural and electronic substituent effect on extent of p-polarization in a side chain (vinyl) group. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. TD-DFT calculations are performed to quantify the efficiency of intramolecular charge transfer (ICT) allowing us to define the charge-transfer distance (DCT), amount of transferred charge (QCT), and difference of dipole moments between the ground and excited states (mu CT). It was found that both substituents and solvents influence electron density shift, i.e. extent of conjugation, and affect intramolecular charge transfer character in the course of excitation.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study
EP  - 5161
IS  - 8
SP  - 5142
VL  - 12
UR  - conv_2358
ER  - 

@article{
author = "Rančić, Milica and Stojiljković, Ivana and Milošević, Milena and Prlainović, Nevena and Jovanović, Maja and Milcić, Miloš K. and Marinković, Aleksandar D.",
year = "2019",
abstract = "The substituent and solvent effect on intramolecular charge transfer (ICT) in 5-aryli dene-3-methyl-2,4-thiazolidinediones (series 1) and 5-arylidene-3-phenyl-2,4-thiazolidinediones (series 2) was studied by using experimental and theoretical methodology. The effect of specific and non-specific solvent-solute interactions on the UV-vis absorption maxima shifts was evaluated by using the Kamlet-Taft and Catalan solvent parameter sets. Linear free energy relationships (LFERs) have been applied to the UV-vis and C-13 NMR data by using SSP (single substituent parameter) and DSP (dual substituent parameters). Comparative LFER analysis of 10 styrenic series was performed in order to distinguish contribution of structural and electronic substituent effect on extent of p-polarization in a side chain (vinyl) group. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. TD-DFT calculations are performed to quantify the efficiency of intramolecular charge transfer (ICT) allowing us to define the charge-transfer distance (DCT), amount of transferred charge (QCT), and difference of dipole moments between the ground and excited states (mu CT). It was found that both substituents and solvents influence electron density shift, i.e. extent of conjugation, and affect intramolecular charge transfer character in the course of excitation.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study",
pages = "5161-5142",
number = "8",
volume = "12",
url = "conv_2358"
}

Rančić, M., Stojiljković, I., Milošević, M., Prlainović, N., Jovanović, M., Milcić, M. K.,& Marinković, A. D.. (2019). Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study. in Arabian Journal of Chemistry
Elsevier., 12(8), 5142-5161.
conv_2358

Rančić M, Stojiljković I, Milošević M, Prlainović N, Jovanović M, Milcić MK, Marinković AD. Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study. in Arabian Journal of Chemistry. 2019;12(8):5142-5161.
conv_2358 .

Rančić, Milica, Stojiljković, Ivana, Milošević, Milena, Prlainović, Nevena, Jovanović, Maja, Milcić, Miloš K., Marinković, Aleksandar D., "Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study" in Arabian Journal of Chemistry, 12, no. 8 (2019):5142-5161,
conv_2358 .

TY  - JOUR
AU  - Prlainović, Nevena
AU  - Rančić, Milica
AU  - Stojiljković, Ivana
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saša Z.
AU  - Ajaj, Ismail
AU  - Marinković, Aleksandar D.
PY  - 2018
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/923
AB  - The substituent and solvent effects on solvatochromism in 3-[(4-substituted) phenylamino] isobenzofuran-1(3H)-ones were studied using experimental and theoretical methodologies. The effect of specific and non-specific solvent-solute interactions on the shifts of UV-Vis absorption maxima were evaluated using the Kamlet-Taft and Catalan solvent parameter sets. The experimental results were studied by density functional theory (DT) and time-dependent density functional theory (TD-DFT). The HOMO/LUMO energies (EHOMO/ELUMO) and energy gap (E-gap) values, as well as the mechanism of electronic excitations and the changes in the electron density distribution in both ground and excited states of the investigated molecules were studied by calculation in the gas phase. The electronic excitations were calculated by the TD-DFT method in the solvent methanol. It was found that both substituents and solvents influence the degree of p-electron conjugation of the synthesized molecules and affect the intramolecular charge transfer character.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones
EP  - 155
IS  - 2
SP  - 139
VL  - 83
DO  - 10.2298/JSC170408003P
UR  - conv_1333
ER  - 

@article{
author = "Prlainović, Nevena and Rančić, Milica and Stojiljković, Ivana and Nikolić, Jasmina B. and Drmanić, Saša Z. and Ajaj, Ismail and Marinković, Aleksandar D.",
year = "2018",
abstract = "The substituent and solvent effects on solvatochromism in 3-[(4-substituted) phenylamino] isobenzofuran-1(3H)-ones were studied using experimental and theoretical methodologies. The effect of specific and non-specific solvent-solute interactions on the shifts of UV-Vis absorption maxima were evaluated using the Kamlet-Taft and Catalan solvent parameter sets. The experimental results were studied by density functional theory (DT) and time-dependent density functional theory (TD-DFT). The HOMO/LUMO energies (EHOMO/ELUMO) and energy gap (E-gap) values, as well as the mechanism of electronic excitations and the changes in the electron density distribution in both ground and excited states of the investigated molecules were studied by calculation in the gas phase. The electronic excitations were calculated by the TD-DFT method in the solvent methanol. It was found that both substituents and solvents influence the degree of p-electron conjugation of the synthesized molecules and affect the intramolecular charge transfer character.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones",
pages = "155-139",
number = "2",
volume = "83",
doi = "10.2298/JSC170408003P",
url = "conv_1333"
}

Prlainović, N., Rančić, M., Stojiljković, I., Nikolić, J. B., Drmanić, S. Z., Ajaj, I.,& Marinković, A. D.. (2018). Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 83(2), 139-155.
https://doi.org/10.2298/JSC170408003P
conv_1333

Prlainović N, Rančić M, Stojiljković I, Nikolić JB, Drmanić SZ, Ajaj I, Marinković AD. Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones. in Journal of the Serbian Chemical Society. 2018;83(2):139-155.
doi:10.2298/JSC170408003P
conv_1333 .

Prlainović, Nevena, Rančić, Milica, Stojiljković, Ivana, Nikolić, Jasmina B., Drmanić, Saša Z., Ajaj, Ismail, Marinković, Aleksandar D., "Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1( 3H )-ones" in Journal of the Serbian Chemical Society, 83, no. 2 (2018):139-155,
https://doi.org/10.2298/JSC170408003P .,
conv_1333 .

TY  - JOUR
AU  - Božić, Bojan
AU  - Rogan, Jelena
AU  - Poleti, Dejan
AU  - Rančić, Milica
AU  - Trisović, Nemanja
AU  - Božić, Biljana
AU  - Ušćumlić, Gordana
PY  - 2017
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/880
AB  - A series of six novel 2-(5-arylidene-2,4-dioxotetrahydrothiazole-3-yl) propanoic acids and six corresponding methyl esters were synthesized. All compounds were characterized by melting points, elemental analysis, FT-IR, H-1 and C-13 NMR spectroscopy. Crystal structure of methyl-2-(5-(4-methoxybenzylidene)-2,4-dioxotetrahydrothiazole-3-yl) propionate was confirmed by X-ray analysis. The antiproliferative activity of all synthesized compounds against human colon cancer, breast cancer and myelogenous leukemia cell lines, i.e. HCT-116, MDA-231 and K562, respectively, was evaluated. The results indicate that antiproliferative activity of the synthesized esters is better than the activity of the corresponding acids. All synthesized compounds showed significant antiproliferative effects against HCT116 cells in all tested concentrations (0.01-100 lM). Moreover, in vitro antimicrobial activity against a wide range of tested microorganisms was examined.
T2  - Arabian Journal of Chemistry
T1  - Synthesis, characterization and biological activity of 2-(5-arylidene-2,4-dioxotetrahydrothiazole-3-yl) propanoic acid derivatives
EP  - S2643
SP  - S2637
VL  - 10
DO  - 10.1016/j.arabjc.2013.10.002
UR  - conv_1316
ER  - 

@article{
author = "Božić, Bojan and Rogan, Jelena and Poleti, Dejan and Rančić, Milica and Trisović, Nemanja and Božić, Biljana and Ušćumlić, Gordana",
year = "2017",
abstract = "A series of six novel 2-(5-arylidene-2,4-dioxotetrahydrothiazole-3-yl) propanoic acids and six corresponding methyl esters were synthesized. All compounds were characterized by melting points, elemental analysis, FT-IR, H-1 and C-13 NMR spectroscopy. Crystal structure of methyl-2-(5-(4-methoxybenzylidene)-2,4-dioxotetrahydrothiazole-3-yl) propionate was confirmed by X-ray analysis. The antiproliferative activity of all synthesized compounds against human colon cancer, breast cancer and myelogenous leukemia cell lines, i.e. HCT-116, MDA-231 and K562, respectively, was evaluated. The results indicate that antiproliferative activity of the synthesized esters is better than the activity of the corresponding acids. All synthesized compounds showed significant antiproliferative effects against HCT116 cells in all tested concentrations (0.01-100 lM). Moreover, in vitro antimicrobial activity against a wide range of tested microorganisms was examined.",
journal = "Arabian Journal of Chemistry",
title = "Synthesis, characterization and biological activity of 2-(5-arylidene-2,4-dioxotetrahydrothiazole-3-yl) propanoic acid derivatives",
pages = "S2643-S2637",
volume = "10",
doi = "10.1016/j.arabjc.2013.10.002",
url = "conv_1316"
}

Božić, B., Rogan, J., Poleti, D., Rančić, M., Trisović, N., Božić, B.,& Ušćumlić, G.. (2017). Synthesis, characterization and biological activity of 2-(5-arylidene-2,4-dioxotetrahydrothiazole-3-yl) propanoic acid derivatives. in Arabian Journal of Chemistry, 10, S2637-S2643.
https://doi.org/10.1016/j.arabjc.2013.10.002
conv_1316

Božić B, Rogan J, Poleti D, Rančić M, Trisović N, Božić B, Ušćumlić G. Synthesis, characterization and biological activity of 2-(5-arylidene-2,4-dioxotetrahydrothiazole-3-yl) propanoic acid derivatives. in Arabian Journal of Chemistry. 2017;10:S2637-S2643.
doi:10.1016/j.arabjc.2013.10.002
conv_1316 .

Božić, Bojan, Rogan, Jelena, Poleti, Dejan, Rančić, Milica, Trisović, Nemanja, Božić, Biljana, Ušćumlić, Gordana, "Synthesis, characterization and biological activity of 2-(5-arylidene-2,4-dioxotetrahydrothiazole-3-yl) propanoic acid derivatives" in Arabian Journal of Chemistry, 10 (2017):S2637-S2643,
https://doi.org/10.1016/j.arabjc.2013.10.002 .,
conv_1316 .

TY  - JOUR
AU  - Đorđević, Nenad
AU  - Marinković, Aleksandar D.
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saša Z.
AU  - Rančić, Milica
AU  - Brković, Danijela V.
AU  - Uskoković, Petar S.
PY  - 2016
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/728
AB  - The morphological, thermal and barrier properties of low-density polyethylene/polycaprolactone-modified nanocellulose hybrid materials were investigated in this study. Nanocellulose/magnetite (NC-Fe3O4) nanocomposite and maleic acid functionalized NC/magnetite (NCMA-Fe3O4) nanocomposite were prepared and used as fillers at various concentrations (5, 10 and 15 wt. %) in the polycaprolactone (PCL) layer. PE was coated with a PCL/NC//magnetite layer. The addition of the filler did not unfavorably affect the inherent properties of the polymer, especially its barrier properties. Oxygen permeation measurements showed that the oxygen barrier properties of magnetite enriched PCL film were improved due to the chemical activity of the added material. The highest level of the barrier capacity was observed for PE samples coated with a PCL-based composite with NCMA-Fe3O4 micro/nanofiller, which implies a significant contribution of the surface modification of the nanocellulose with maleic anhydride residue to the improved barrier properties.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film
EP  - 605
IS  - 5
SP  - 589
VL  - 81
DO  - 10.2298/JSC151217019D
UR  - conv_1217
ER  - 

@article{
author = "Đorđević, Nenad and Marinković, Aleksandar D. and Nikolić, Jasmina B. and Drmanić, Saša Z. and Rančić, Milica and Brković, Danijela V. and Uskoković, Petar S.",
year = "2016",
abstract = "The morphological, thermal and barrier properties of low-density polyethylene/polycaprolactone-modified nanocellulose hybrid materials were investigated in this study. Nanocellulose/magnetite (NC-Fe3O4) nanocomposite and maleic acid functionalized NC/magnetite (NCMA-Fe3O4) nanocomposite were prepared and used as fillers at various concentrations (5, 10 and 15 wt. %) in the polycaprolactone (PCL) layer. PE was coated with a PCL/NC//magnetite layer. The addition of the filler did not unfavorably affect the inherent properties of the polymer, especially its barrier properties. Oxygen permeation measurements showed that the oxygen barrier properties of magnetite enriched PCL film were improved due to the chemical activity of the added material. The highest level of the barrier capacity was observed for PE samples coated with a PCL-based composite with NCMA-Fe3O4 micro/nanofiller, which implies a significant contribution of the surface modification of the nanocellulose with maleic anhydride residue to the improved barrier properties.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film",
pages = "605-589",
number = "5",
volume = "81",
doi = "10.2298/JSC151217019D",
url = "conv_1217"
}

Đorđević, N., Marinković, A. D., Nikolić, J. B., Drmanić, S. Z., Rančić, M., Brković, D. V.,& Uskoković, P. S.. (2016). A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 81(5), 589-605.
https://doi.org/10.2298/JSC151217019D
conv_1217

Đorđević N, Marinković AD, Nikolić JB, Drmanić SZ, Rančić M, Brković DV, Uskoković PS. A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film. in Journal of the Serbian Chemical Society. 2016;81(5):589-605.
doi:10.2298/JSC151217019D
conv_1217 .

Đorđević, Nenad, Marinković, Aleksandar D., Nikolić, Jasmina B., Drmanić, Saša Z., Rančić, Milica, Brković, Danijela V., Uskoković, Petar S., "A study of the barrier properties of polyethylene coated with a nanocellulose/magnetite composite film" in Journal of the Serbian Chemical Society, 81, no. 5 (2016):589-605,
https://doi.org/10.2298/JSC151217019D .,
conv_1217 .

TY  - JOUR
AU  - Taleb, Khaled
AU  - Rusmirović, Jelena D.
AU  - Rančić, Milica
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saša Z.
AU  - Velicković, Zlate
AU  - Marinković, Aleksandar D.
PY  - 2016
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/798
AB  - A novel adsorbent, NC-PEG, obtained by modification of nanocellulose (NC) with PEG-6-arm amino polyethylene glycol (PEG-NH2) via maleic anhydride (MA) linker, was used for removal of Cd2+ and Ni2+ from water. A subsequent precipitation of iron oxide (FO) from goethite on NC-PEG was employed to produce NC-PEG/FO adsorbent which was used for As(V) and As(III) removal. In a batch test, the influence of pH, contact time, initial ion concentration and temperature on the adsorption efficiency were studied. The maximum adsorption capacities found for Cd2+ and Ni2+, obtained by the use of Langmuir model, were 37.9 and 32.4 mg g(-1) at 25 degrees C, respectively. Also, high As(V) and As(III) removal capacities of 26.0 and 23.6 mg g(-1) were obtained. The thermodynamic parameters indicated endothermic, feasible and spontaneous nature of the adsorption process. The kinetic study, i.e., fitting by Weber-Morris model predicted that intra-particle diffusion was the rate-controlling step. The ability for multi-cycle reusability of both NC-PEG and NCPEG/FO, represents a positive indicator when considering their possible applications.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Efficient pollutants removal by amino-modified nanocellulose impregnated with iron oxide
EP  - 1213
IS  - 10
SP  - 1199
VL  - 81
DO  - 10.2298/JSC160529063T
UR  - conv_1233
ER  - 

@article{
author = "Taleb, Khaled and Rusmirović, Jelena D. and Rančić, Milica and Nikolić, Jasmina B. and Drmanić, Saša Z. and Velicković, Zlate and Marinković, Aleksandar D.",
year = "2016",
abstract = "A novel adsorbent, NC-PEG, obtained by modification of nanocellulose (NC) with PEG-6-arm amino polyethylene glycol (PEG-NH2) via maleic anhydride (MA) linker, was used for removal of Cd2+ and Ni2+ from water. A subsequent precipitation of iron oxide (FO) from goethite on NC-PEG was employed to produce NC-PEG/FO adsorbent which was used for As(V) and As(III) removal. In a batch test, the influence of pH, contact time, initial ion concentration and temperature on the adsorption efficiency were studied. The maximum adsorption capacities found for Cd2+ and Ni2+, obtained by the use of Langmuir model, were 37.9 and 32.4 mg g(-1) at 25 degrees C, respectively. Also, high As(V) and As(III) removal capacities of 26.0 and 23.6 mg g(-1) were obtained. The thermodynamic parameters indicated endothermic, feasible and spontaneous nature of the adsorption process. The kinetic study, i.e., fitting by Weber-Morris model predicted that intra-particle diffusion was the rate-controlling step. The ability for multi-cycle reusability of both NC-PEG and NCPEG/FO, represents a positive indicator when considering their possible applications.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Efficient pollutants removal by amino-modified nanocellulose impregnated with iron oxide",
pages = "1213-1199",
number = "10",
volume = "81",
doi = "10.2298/JSC160529063T",
url = "conv_1233"
}

Taleb, K., Rusmirović, J. D., Rančić, M., Nikolić, J. B., Drmanić, S. Z., Velicković, Z.,& Marinković, A. D.. (2016). Efficient pollutants removal by amino-modified nanocellulose impregnated with iron oxide. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 81(10), 1199-1213.
https://doi.org/10.2298/JSC160529063T
conv_1233

Taleb K, Rusmirović JD, Rančić M, Nikolić JB, Drmanić SZ, Velicković Z, Marinković AD. Efficient pollutants removal by amino-modified nanocellulose impregnated with iron oxide. in Journal of the Serbian Chemical Society. 2016;81(10):1199-1213.
doi:10.2298/JSC160529063T
conv_1233 .

Taleb, Khaled, Rusmirović, Jelena D., Rančić, Milica, Nikolić, Jasmina B., Drmanić, Saša Z., Velicković, Zlate, Marinković, Aleksandar D., "Efficient pollutants removal by amino-modified nanocellulose impregnated with iron oxide" in Journal of the Serbian Chemical Society, 81, no. 10 (2016):1199-1213,
https://doi.org/10.2298/JSC160529063T .,
conv_1233 .

TY  - JOUR
AU  - Ajaj, Ismail
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Mijin, Dusan
AU  - Milcić, Miloš
AU  - Jovanović, Maja
AU  - Marinković, Aleksandar
PY  - 2015
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/651
AB  - The state of the tautomeric equilibria of 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles, 2-PY/6-PY, was evaluated using experimental and theoretical methodology. The experimental data were interpreted with the aid of time-dependent density functional (TD-DFT) method. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. Linear solvation energy relationships (LSER) rationalized solvent influence on tautomeric equilibrium. Linear free energy relationships (LFERs) were applied to the substituent-induced NMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Theoretical calculations and obtained correlations gave insight into the influence of molecular conformation on the transmission of substituent electronic effects, as well as on different solvent solute interactions, and the state of tautomeric equilibrium.
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study
EP  - 585
SP  - 575
VL  - 150
DO  - 10.1016/j.saa.2015.05.055
UR  - conv_1172
ER  - 

@article{
author = "Ajaj, Ismail and Markovski, Jasmina and Rančić, Milica and Mijin, Dusan and Milcić, Miloš and Jovanović, Maja and Marinković, Aleksandar",
year = "2015",
abstract = "The state of the tautomeric equilibria of 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles, 2-PY/6-PY, was evaluated using experimental and theoretical methodology. The experimental data were interpreted with the aid of time-dependent density functional (TD-DFT) method. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. Linear solvation energy relationships (LSER) rationalized solvent influence on tautomeric equilibrium. Linear free energy relationships (LFERs) were applied to the substituent-induced NMR chemical shifts (SCS) using SSP (single substituent parameter) and DSP (dual substituent parameter) model. Theoretical calculations and obtained correlations gave insight into the influence of molecular conformation on the transmission of substituent electronic effects, as well as on different solvent solute interactions, and the state of tautomeric equilibrium.",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study",
pages = "585-575",
volume = "150",
doi = "10.1016/j.saa.2015.05.055",
url = "conv_1172"
}

Ajaj, I., Markovski, J., Rančić, M., Mijin, D., Milcić, M., Jovanović, M.,& Marinković, A.. (2015). Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 150, 575-585.
https://doi.org/10.1016/j.saa.2015.05.055
conv_1172

Ajaj I, Markovski J, Rančić M, Mijin D, Milcić M, Jovanović M, Marinković A. Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2015;150:575-585.
doi:10.1016/j.saa.2015.05.055
conv_1172 .

Ajaj, Ismail, Markovski, Jasmina, Rančić, Milica, Mijin, Dusan, Milcić, Miloš, Jovanović, Maja, Marinković, Aleksandar, "Solvent and structural effects in tautomeric 2(6)-hydroxy-4-methyl-6(2)-oxo-1-(substituted phenyl)-1,2(1,6)-dihydropyridine-3-carbonitriles: UV, NMR and quantum chemical study" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 150 (2015):575-585,
https://doi.org/10.1016/j.saa.2015.05.055 .,
conv_1172 .

TY  - JOUR
AU  - Rančić, Milica
AU  - Trisović, Nemanja
AU  - Milcić, Miloš
AU  - Jovanović, Maja
AU  - Jovanović, Bratislav
AU  - Marinković, Aleksandar
PY  - 2014
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/577
AB  - Two series of 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines have been synthesized using different methods of conventional and microwave-assisted synthesis, and linear free-energy relationships have been applied to the C-13 NMR chemical shifts of the carbon atoms of interest. The substituent-induced chemical shifts have been analyzed using single substituent parameter and dual substituent parameter methods. The presented correlations describe satisfactorily the field and resonance substituent effects having similar contributions for C1 and the azomethine carbon, with exception of the carbon atom in para position to the substituent X. In both series, negative values have been found for C1 atom (reverse substituent effect). Quantum chemical calculations of the optimized geometries at MP2/6-31G++(d,p) level, together with C-13 NMR chemical shifts, give a better insight into the influence of the molecular conformation on the transmission of electronic substituent effects. The comparison of correlation results for different series of imines with phenyl, 4-nitrophenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl group attached at the azomethine carbon with the results for 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines for the same substituent set (X) indicates that a combination of the influences of electronic effects of the substituent X and the (1)-unit can be described as a sensitive balance of different resonance structures.
T2  - Journal of Heterocyclic Chemistry
T1  - Linear Free-Energy Relationships Applied to the 13 C NMR Chemical Shifts in 4-Substituted N -[1-(Pyridine-3-and-4-yl)ethylidene]anilines
EP  - 1451
IS  - 5
SP  - 1442
VL  - 51
DO  - 10.1002/jhet.1752
UR  - conv_1130
ER  - 

@article{
author = "Rančić, Milica and Trisović, Nemanja and Milcić, Miloš and Jovanović, Maja and Jovanović, Bratislav and Marinković, Aleksandar",
year = "2014",
abstract = "Two series of 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines have been synthesized using different methods of conventional and microwave-assisted synthesis, and linear free-energy relationships have been applied to the C-13 NMR chemical shifts of the carbon atoms of interest. The substituent-induced chemical shifts have been analyzed using single substituent parameter and dual substituent parameter methods. The presented correlations describe satisfactorily the field and resonance substituent effects having similar contributions for C1 and the azomethine carbon, with exception of the carbon atom in para position to the substituent X. In both series, negative values have been found for C1 atom (reverse substituent effect). Quantum chemical calculations of the optimized geometries at MP2/6-31G++(d,p) level, together with C-13 NMR chemical shifts, give a better insight into the influence of the molecular conformation on the transmission of electronic substituent effects. The comparison of correlation results for different series of imines with phenyl, 4-nitrophenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl group attached at the azomethine carbon with the results for 4-substituted N-[1-(pyridine-3- and -4-yl)ethylidene]anilines for the same substituent set (X) indicates that a combination of the influences of electronic effects of the substituent X and the (1)-unit can be described as a sensitive balance of different resonance structures.",
journal = "Journal of Heterocyclic Chemistry",
title = "Linear Free-Energy Relationships Applied to the 13 C NMR Chemical Shifts in 4-Substituted N -[1-(Pyridine-3-and-4-yl)ethylidene]anilines",
pages = "1451-1442",
number = "5",
volume = "51",
doi = "10.1002/jhet.1752",
url = "conv_1130"
}

Rančić, M., Trisović, N., Milcić, M., Jovanović, M., Jovanović, B.,& Marinković, A.. (2014). Linear Free-Energy Relationships Applied to the 13 C NMR Chemical Shifts in 4-Substituted N -[1-(Pyridine-3-and-4-yl)ethylidene]anilines. in Journal of Heterocyclic Chemistry, 51(5), 1442-1451.
https://doi.org/10.1002/jhet.1752
conv_1130

Rančić M, Trisović N, Milcić M, Jovanović M, Jovanović B, Marinković A. Linear Free-Energy Relationships Applied to the 13 C NMR Chemical Shifts in 4-Substituted N -[1-(Pyridine-3-and-4-yl)ethylidene]anilines. in Journal of Heterocyclic Chemistry. 2014;51(5):1442-1451.
doi:10.1002/jhet.1752
conv_1130 .

Rančić, Milica, Trisović, Nemanja, Milcić, Miloš, Jovanović, Maja, Jovanović, Bratislav, Marinković, Aleksandar, "Linear Free-Energy Relationships Applied to the 13 C NMR Chemical Shifts in 4-Substituted N -[1-(Pyridine-3-and-4-yl)ethylidene]anilines" in Journal of Heterocyclic Chemistry, 51, no. 5 (2014):1442-1451,
https://doi.org/10.1002/jhet.1752 .,
conv_1130 .

TY  - JOUR
AU  - Đaković-Sekulić, Tatjana
AU  - Lozanov-Crvenković, Zagorka
AU  - Rančić, Milica
AU  - Trisović, Nemanja
AU  - Ušćumlić, Gordana
PY  - 2014
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/585
AB  - Quantitative structure-retention relationship (QSRR) study of retention data of thirteen 5-arylidene-2,4-thiazolidinediones obtained by reversed phase HPTLC. The effect of substituents attached to aryliden ring on the properties of TZD molecule, whose retention is closely correlated to the inhibitory activity, was investigated. PCA was used to show similarities/dissimilarities among the compounds. Stepwise regression models were calculated for each mobile phase modifier used. The obtained models were characterized by good fit and predictive abilities. The descriptors included in the models are connected with both lipophilic and donor/acceptor interactions.
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology
EP  - 2035
IS  - 14
SP  - 2021
VL  - 37
DO  - 10.1080/10826076.2013.825858
UR  - conv_1112
ER  - 

@article{
author = "Đaković-Sekulić, Tatjana and Lozanov-Crvenković, Zagorka and Rančić, Milica and Trisović, Nemanja and Ušćumlić, Gordana",
year = "2014",
abstract = "Quantitative structure-retention relationship (QSRR) study of retention data of thirteen 5-arylidene-2,4-thiazolidinediones obtained by reversed phase HPTLC. The effect of substituents attached to aryliden ring on the properties of TZD molecule, whose retention is closely correlated to the inhibitory activity, was investigated. PCA was used to show similarities/dissimilarities among the compounds. Stepwise regression models were calculated for each mobile phase modifier used. The obtained models were characterized by good fit and predictive abilities. The descriptors included in the models are connected with both lipophilic and donor/acceptor interactions.",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology",
pages = "2035-2021",
number = "14",
volume = "37",
doi = "10.1080/10826076.2013.825858",
url = "conv_1112"
}

Đaković-Sekulić, T., Lozanov-Crvenković, Z., Rančić, M., Trisović, N.,& Ušćumlić, G.. (2014). Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology. in Journal of Liquid Chromatography & Related Technologies, 37(14), 2021-2035.
https://doi.org/10.1080/10826076.2013.825858
conv_1112

Đaković-Sekulić T, Lozanov-Crvenković Z, Rančić M, Trisović N, Ušćumlić G. Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology. in Journal of Liquid Chromatography & Related Technologies. 2014;37(14):2021-2035.
doi:10.1080/10826076.2013.825858
conv_1112 .

Đaković-Sekulić, Tatjana, Lozanov-Crvenković, Zagorka, Rančić, Milica, Trisović, Nemanja, Ušćumlić, Gordana, "Substituent effects on chromatographic retention data of 5-arylidene-2,4-thiazolidinediones in qsar methodology" in Journal of Liquid Chromatography & Related Technologies, 37, no. 14 (2014):2021-2035,
https://doi.org/10.1080/10826076.2013.825858 .,
conv_1112 .

TY  - THES
AU  - Rančić, Milica
PY  - 2013
UR  - https://nardus.mpn.gov.rs/handle/123456789/5994
UR  - http://eteze.bg.ac.rs/application/showtheses?thesesId=3373
UR  - https://fedorabg.bg.ac.rs/fedora/get/o:11872/bdef:Content/download
UR  - http://vbs.rs/scripts/cobiss?command=DISPLAY&base=70036&RID=44867343
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/13
PB  - Univerzitet u Beogradu, Tehnološko-metalurški fakultet
T1  - Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona
T1  - Structure, solvatochromism and electrophilicity of 5-arylidene-2,4-thiazolidinedione derivatives
UR  - https://hdl.handle.net/21.15107/rcub_nardus_5994
UR  - t-2822
ER  - 

@phdthesis{
author = "Rančić, Milica",
year = "2013",
publisher = "Univerzitet u Beogradu, Tehnološko-metalurški fakultet",
title = "Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona, Structure, solvatochromism and electrophilicity of 5-arylidene-2,4-thiazolidinedione derivatives",
url = "https://hdl.handle.net/21.15107/rcub_nardus_5994, t-2822"
}

Rančić, M.. (2013). Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona. 
Univerzitet u Beogradu, Tehnološko-metalurški fakultet..
https://hdl.handle.net/21.15107/rcub_nardus_5994

Rančić M. Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona. 2013;.
https://hdl.handle.net/21.15107/rcub_nardus_5994 .

Rančić, Milica, "Struktura, solvatohromizam i elektrofilnost derivata 5-ariliden-2,4-tiazolidindiona" (2013),
https://hdl.handle.net/21.15107/rcub_nardus_5994 .

TY  - JOUR
AU  - Rančić, Milica
AU  - Trisović, Nemanja
AU  - Milcić, Miloš K.
AU  - Ajaj, Ismail
AU  - Marinković, Aleksandar D.
PY  - 2013
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/499
AB  - The electronic structure of 5-arylidene-2,4-thiazolidinediones has been studied by using experimental and theoretical methodology. The theoretical calculations of the investigated 5-arylidene-2,4-thiazolidinediones have been performed by the use of quantum chemical methods. The calculated C-13 NMR chemical shifts and NBO atomic charges provide an insight into the influence of such a structure on the transmission of electronic substituent effects. Linear free energy relationships (LFERs) have been further applied to their C-13 NMR chemical shifts. The correlation analyses for the substituent-induced chemical shifts (SCS) have been performed with sigma using SSP (single substituent parameter), field (sigma(F)) and resonance (sigma(R)) parameters using DSP (dual substituent parameter), as well as the Yukawa-Tsuno model. The presented correlations account satisfactorily for the polar and resonance substituent effects operative at C-beta. and C-7 carbons, while reverse substituent effect was found for C-alpha. The comparison of correlation results for the investigated molecules with those obtained for seven structurally related styrene series has indicated that specific cross-interaction of phenyl substituent and groups attached at C-alpha carbon causes increased sensitivity of SCS C-beta to the resonance effect with increasing of electron-accepting capabilities of the group present at C-beta.
T2  - Journal of Molecular Structure
T1  - Experimental and theoretical study of substituent effect on 13 C NMR chemical shifts of 5-arylidene-2,4-thiazolidinediones
EP  - 68
SP  - 59
VL  - 1049
DO  - 10.1016/j.molstruc.2013.06.027
UR  - conv_919
ER  - 

@article{
author = "Rančić, Milica and Trisović, Nemanja and Milcić, Miloš K. and Ajaj, Ismail and Marinković, Aleksandar D.",
year = "2013",
abstract = "The electronic structure of 5-arylidene-2,4-thiazolidinediones has been studied by using experimental and theoretical methodology. The theoretical calculations of the investigated 5-arylidene-2,4-thiazolidinediones have been performed by the use of quantum chemical methods. The calculated C-13 NMR chemical shifts and NBO atomic charges provide an insight into the influence of such a structure on the transmission of electronic substituent effects. Linear free energy relationships (LFERs) have been further applied to their C-13 NMR chemical shifts. The correlation analyses for the substituent-induced chemical shifts (SCS) have been performed with sigma using SSP (single substituent parameter), field (sigma(F)) and resonance (sigma(R)) parameters using DSP (dual substituent parameter), as well as the Yukawa-Tsuno model. The presented correlations account satisfactorily for the polar and resonance substituent effects operative at C-beta. and C-7 carbons, while reverse substituent effect was found for C-alpha. The comparison of correlation results for the investigated molecules with those obtained for seven structurally related styrene series has indicated that specific cross-interaction of phenyl substituent and groups attached at C-alpha carbon causes increased sensitivity of SCS C-beta to the resonance effect with increasing of electron-accepting capabilities of the group present at C-beta.",
journal = "Journal of Molecular Structure",
title = "Experimental and theoretical study of substituent effect on 13 C NMR chemical shifts of 5-arylidene-2,4-thiazolidinediones",
pages = "68-59",
volume = "1049",
doi = "10.1016/j.molstruc.2013.06.027",
url = "conv_919"
}

Rančić, M., Trisović, N., Milcić, M. K., Ajaj, I.,& Marinković, A. D.. (2013). Experimental and theoretical study of substituent effect on 13 C NMR chemical shifts of 5-arylidene-2,4-thiazolidinediones. in Journal of Molecular Structure, 1049, 59-68.
https://doi.org/10.1016/j.molstruc.2013.06.027
conv_919

Rančić M, Trisović N, Milcić MK, Ajaj I, Marinković AD. Experimental and theoretical study of substituent effect on 13 C NMR chemical shifts of 5-arylidene-2,4-thiazolidinediones. in Journal of Molecular Structure. 2013;1049:59-68.
doi:10.1016/j.molstruc.2013.06.027
conv_919 .

Rančić, Milica, Trisović, Nemanja, Milcić, Miloš K., Ajaj, Ismail, Marinković, Aleksandar D., "Experimental and theoretical study of substituent effect on 13 C NMR chemical shifts of 5-arylidene-2,4-thiazolidinediones" in Journal of Molecular Structure, 1049 (2013):59-68,
https://doi.org/10.1016/j.molstruc.2013.06.027 .,
conv_919 .

TY  - JOUR
AU  - Rančić, Milica
AU  - Trisović, Nemanja
AU  - Milcić, Miloš
AU  - Ušćumlić, Gordana
AU  - Marinković, Aleksandar
PY  - 2012
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/462
AB  - The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts were evaluated by using the Catalan solvent parameter set. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. It was found that different substituents significantly change the extent of conjugation in the molecules and further affect their intramolecular charge transfer character.
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones
EP  - 507
SP  - 500
VL  - 86
DO  - 10.1016/j.saa.2011.10.074
UR  - conv_1003
ER  - 

@article{
author = "Rančić, Milica and Trisović, Nemanja and Milcić, Miloš and Ušćumlić, Gordana and Marinković, Aleksandar",
year = "2012",
abstract = "The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts were evaluated by using the Catalan solvent parameter set. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. It was found that different substituents significantly change the extent of conjugation in the molecules and further affect their intramolecular charge transfer character.",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones",
pages = "507-500",
volume = "86",
doi = "10.1016/j.saa.2011.10.074",
url = "conv_1003"
}

Rančić, M., Trisović, N., Milcić, M., Ušćumlić, G.,& Marinković, A.. (2012). Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 86, 500-507.
https://doi.org/10.1016/j.saa.2011.10.074
conv_1003

Rančić M, Trisović N, Milcić M, Ušćumlić G, Marinković A. Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2012;86:500-507.
doi:10.1016/j.saa.2011.10.074
conv_1003 .

Rančić, Milica, Trisović, Nemanja, Milcić, Miloš, Ušćumlić, Gordana, Marinković, Aleksandar, "Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 86 (2012):500-507,
https://doi.org/10.1016/j.saa.2011.10.074 .,
conv_1003 .