TY  - JOUR
AU  - Brkić, Dominik R.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš K.
AU  - Prlainović, Nevena Z.
AU  - Assaleh, Fathi H.
AU  - Cvijetić, Ilija
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saga Z.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3196
AB  - The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base
VL  - 196
SP  - 16
EP  - 30
DO  - 10.1016/j.saa.2018.01.080
ER  - 

@article{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
abstract = "The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base",
volume = "196",
pages = "16-30",
doi = "10.1016/j.saa.2018.01.080"
}

Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z.. (2018). Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 196, 16-30.
https://doi.org/10.1016/j.saa.2018.01.080

Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;196:16-30.
doi:10.1016/j.saa.2018.01.080 .

Brkić, Dominik R., Božić, Aleksandra R., Marinković, Aleksandar, Milčić, Miloš K., Prlainović, Nevena Z., Assaleh, Fathi H., Cvijetić, Ilija, Nikolić, Jasmina B., Drmanić, Saga Z., "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 196 (2018):16-30,
https://doi.org/10.1016/j.saa.2018.01.080 . .

TY  - DATA
AU  - Brkić, Dominik R.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš K.
AU  - Prlainović, Nevena Z.
AU  - Assaleh, Fathi H.
AU  - Cvijetić, Ilija
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saga Z.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3197
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3197
ER  - 

@misc{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3197"
}

Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z.. (2018). Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford..
https://hdl.handle.net/21.15107/rcub_cherry_3197

Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;.
https://hdl.handle.net/21.15107/rcub_cherry_3197 .

Brkić, Dominik R., Božić, Aleksandra R., Marinković, Aleksandar, Milčić, Miloš K., Prlainović, Nevena Z., Assaleh, Fathi H., Cvijetić, Ilija, Nikolić, Jasmina B., Drmanić, Saga Z., "Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy (2018),
https://hdl.handle.net/21.15107/rcub_cherry_3197 .

TY  - DATA
AU  - Milošević, Milena D.
AU  - Prlainović, Nevena Z.
AU  - Milčić, Miloš K.
AU  - Nikolić, Vesna
AU  - Božić, Aleksandra R.
AU  - Bigović, Miljan
AU  - Marinković, Aleksandar
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3255
PB  - Springer, New York
T2  - Journal of the Iranian Chemical Society
T1  - Supplementary material for the article: Milošević, M. D.; Prlainović, N. Ž.; Milčić, M.; Nikolić, V.; Božić, A.; Bigović, M.; Marinković, A. D. Solvent, Structural, Quantum Chemical Study and Antioxidative Activity of Symmetrical 1-Methyl-2,6-Bis[2-(Substituted Phenyl)Ethenyl]Pyridinium Iodides. Journal of the Iranian Chemical Society 2018, 15 (11), 2483–2501. https://doi.org/10.1007/s13738-018-1437-5
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3255
ER  - 

@misc{
author = "Milošević, Milena D. and Prlainović, Nevena Z. and Milčić, Miloš K. and Nikolić, Vesna and Božić, Aleksandra R. and Bigović, Miljan and Marinković, Aleksandar",
year = "2018",
publisher = "Springer, New York",
journal = "Journal of the Iranian Chemical Society",
title = "Supplementary material for the article: Milošević, M. D.; Prlainović, N. Ž.; Milčić, M.; Nikolić, V.; Božić, A.; Bigović, M.; Marinković, A. D. Solvent, Structural, Quantum Chemical Study and Antioxidative Activity of Symmetrical 1-Methyl-2,6-Bis[2-(Substituted Phenyl)Ethenyl]Pyridinium Iodides. Journal of the Iranian Chemical Society 2018, 15 (11), 2483–2501. https://doi.org/10.1007/s13738-018-1437-5",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3255"
}

Milošević, M. D., Prlainović, N. Z., Milčić, M. K., Nikolić, V., Božić, A. R., Bigović, M.,& Marinković, A.. (2018). Supplementary material for the article: Milošević, M. D.; Prlainović, N. Ž.; Milčić, M.; Nikolić, V.; Božić, A.; Bigović, M.; Marinković, A. D. Solvent, Structural, Quantum Chemical Study and Antioxidative Activity of Symmetrical 1-Methyl-2,6-Bis[2-(Substituted Phenyl)Ethenyl]Pyridinium Iodides. Journal of the Iranian Chemical Society 2018, 15 (11), 2483–2501. https://doi.org/10.1007/s13738-018-1437-5. in Journal of the Iranian Chemical Society
Springer, New York..
https://hdl.handle.net/21.15107/rcub_cherry_3255

Milošević MD, Prlainović NZ, Milčić MK, Nikolić V, Božić AR, Bigović M, Marinković A. Supplementary material for the article: Milošević, M. D.; Prlainović, N. Ž.; Milčić, M.; Nikolić, V.; Božić, A.; Bigović, M.; Marinković, A. D. Solvent, Structural, Quantum Chemical Study and Antioxidative Activity of Symmetrical 1-Methyl-2,6-Bis[2-(Substituted Phenyl)Ethenyl]Pyridinium Iodides. Journal of the Iranian Chemical Society 2018, 15 (11), 2483–2501. https://doi.org/10.1007/s13738-018-1437-5. in Journal of the Iranian Chemical Society. 2018;.
https://hdl.handle.net/21.15107/rcub_cherry_3255 .

Milošević, Milena D., Prlainović, Nevena Z., Milčić, Miloš K., Nikolić, Vesna, Božić, Aleksandra R., Bigović, Miljan, Marinković, Aleksandar, "Supplementary material for the article: Milošević, M. D.; Prlainović, N. Ž.; Milčić, M.; Nikolić, V.; Božić, A.; Bigović, M.; Marinković, A. D. Solvent, Structural, Quantum Chemical Study and Antioxidative Activity of Symmetrical 1-Methyl-2,6-Bis[2-(Substituted Phenyl)Ethenyl]Pyridinium Iodides. Journal of the Iranian Chemical Society 2018, 15 (11), 2483–2501. https://doi.org/10.1007/s13738-018-1437-5" in Journal of the Iranian Chemical Society (2018),
https://hdl.handle.net/21.15107/rcub_cherry_3255 .

TY  - JOUR
AU  - Milošević, Milena D.
AU  - Prlainović, Nevena Z.
AU  - Milčić, Miloš K.
AU  - Nikolić, Vesna
AU  - Božić, Aleksandra R.
AU  - Bigović, Miljan
AU  - Marinković, Aleksandar
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2216
AB  - 15 symmetric 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides were synthesized in this work. Their structures were characterized using IR, H-1 and C-13 NMR, and UV-Vis spectroscopy. DFT calculations indicated that s-trans/s-trans conformation prevail in all compounds. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear solvation-free energy relationships (LSER), i.e., Kamlet-Taft and Catalan models. A linear free energy relationship (LFER) in the form of single substituent parameter equations (SSP) was used to postulate quantitative structure-property relations of substituent effect on NMR data. TD-DFT results showed dependence of electronic transition on the substituent effects. The push-pull character of these compounds was analyzed by differences in C-13 chemical shift of the ethylenic double bond in 2- and 6-positions of cross-conjugated with pyridinum central ring. Also, the quotient of the occupations for the bonding pi and anti-bonding pi* orbitals of this bond was considered. Good correlations of the selected parameter between double bond lengths with pi*/pi and C-13 chemical shift differences of the bridging group proved them to be adequate descriptor of push-pull character. Synthesized compounds were screened for the antioxidant activity, using 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical methods, and results demonstrated moderate antioxidant potential.
PB  - Springer, New York
T2  - Journal of the Iranian Chemical Society
T1  - Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides
VL  - 15
IS  - 11
SP  - 2483
EP  - 2501
DO  - 10.1007/s13738-018-1437-5
ER  - 

@article{
author = "Milošević, Milena D. and Prlainović, Nevena Z. and Milčić, Miloš K. and Nikolić, Vesna and Božić, Aleksandra R. and Bigović, Miljan and Marinković, Aleksandar",
year = "2018",
abstract = "15 symmetric 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides were synthesized in this work. Their structures were characterized using IR, H-1 and C-13 NMR, and UV-Vis spectroscopy. DFT calculations indicated that s-trans/s-trans conformation prevail in all compounds. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear solvation-free energy relationships (LSER), i.e., Kamlet-Taft and Catalan models. A linear free energy relationship (LFER) in the form of single substituent parameter equations (SSP) was used to postulate quantitative structure-property relations of substituent effect on NMR data. TD-DFT results showed dependence of electronic transition on the substituent effects. The push-pull character of these compounds was analyzed by differences in C-13 chemical shift of the ethylenic double bond in 2- and 6-positions of cross-conjugated with pyridinum central ring. Also, the quotient of the occupations for the bonding pi and anti-bonding pi* orbitals of this bond was considered. Good correlations of the selected parameter between double bond lengths with pi*/pi and C-13 chemical shift differences of the bridging group proved them to be adequate descriptor of push-pull character. Synthesized compounds were screened for the antioxidant activity, using 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical methods, and results demonstrated moderate antioxidant potential.",
publisher = "Springer, New York",
journal = "Journal of the Iranian Chemical Society",
title = "Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides",
volume = "15",
number = "11",
pages = "2483-2501",
doi = "10.1007/s13738-018-1437-5"
}

Milošević, M. D., Prlainović, N. Z., Milčić, M. K., Nikolić, V., Božić, A. R., Bigović, M.,& Marinković, A.. (2018). Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides. in Journal of the Iranian Chemical Society
Springer, New York., 15(11), 2483-2501.
https://doi.org/10.1007/s13738-018-1437-5

Milošević MD, Prlainović NZ, Milčić MK, Nikolić V, Božić AR, Bigović M, Marinković A. Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides. in Journal of the Iranian Chemical Society. 2018;15(11):2483-2501.
doi:10.1007/s13738-018-1437-5 .

Milošević, Milena D., Prlainović, Nevena Z., Milčić, Miloš K., Nikolić, Vesna, Božić, Aleksandra R., Bigović, Miljan, Marinković, Aleksandar, "Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides" in Journal of the Iranian Chemical Society, 15, no. 11 (2018):2483-2501,
https://doi.org/10.1007/s13738-018-1437-5 . .

TY  - JOUR
AU  - Brkić, Dominik R.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš K.
AU  - Prlainović, Nevena Z.
AU  - Assaleh, Fathi H.
AU  - Cvijetić, Ilija
AU  - Nikolić, Jasmina B.
AU  - Drmanić, Saga Z.
PY  - 2018
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2121
AB  - The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base
VL  - 196
SP  - 16
EP  - 30
DO  - 10.1016/j.saa.2018.01.080
ER  - 

@article{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
abstract = "The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base",
volume = "196",
pages = "16-30",
doi = "10.1016/j.saa.2018.01.080"
}

Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z.. (2018). Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 196, 16-30.
https://doi.org/10.1016/j.saa.2018.01.080

Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;196:16-30.
doi:10.1016/j.saa.2018.01.080 .

Brkić, Dominik R., Božić, Aleksandra R., Marinković, Aleksandar, Milčić, Miloš K., Prlainović, Nevena Z., Assaleh, Fathi H., Cvijetić, Ilija, Nikolić, Jasmina B., Drmanić, Saga Z., "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 196 (2018):16-30,
https://doi.org/10.1016/j.saa.2018.01.080 . .

TY  - DATA
AU  - Rančić, Milica
AU  - Stojiljković, Ivana N.
AU  - Milošević, Milena D.
AU  - Prlainović, Nevena Z.
AU  - Jovanović, Maja
AU  - Milčić, Miloš K.
AU  - Marinković, Aleksandar
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3613
T2  - Arabian Journal of Chemistry
T1  - Supplementary material for the article: Rančić, M. P.; Stojiljković, I.; Milošević, M.; Prlainović, N.; Jovanović, M.; Milčić, M. K.; Marinković, A. D. Solvent and Substituent Effect on Intramolecular Charge Transfer in 5-Arylidene-3-Substituted-2,4-Thiazolidinediones: Experimental and Theoretical Study, 2016. https://doi.org/10.1016/j.arabjc.2016.12.013
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3613
ER  - 

@misc{
author = "Rančić, Milica and Stojiljković, Ivana N. and Milošević, Milena D. and Prlainović, Nevena Z. and Jovanović, Maja and Milčić, Miloš K. and Marinković, Aleksandar",
year = "2016",
journal = "Arabian Journal of Chemistry",
title = "Supplementary material for the article: Rančić, M. P.; Stojiljković, I.; Milošević, M.; Prlainović, N.; Jovanović, M.; Milčić, M. K.; Marinković, A. D. Solvent and Substituent Effect on Intramolecular Charge Transfer in 5-Arylidene-3-Substituted-2,4-Thiazolidinediones: Experimental and Theoretical Study, 2016. https://doi.org/10.1016/j.arabjc.2016.12.013",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3613"
}

Rančić, M., Stojiljković, I. N., Milošević, M. D., Prlainović, N. Z., Jovanović, M., Milčić, M. K.,& Marinković, A.. (2016). Supplementary material for the article: Rančić, M. P.; Stojiljković, I.; Milošević, M.; Prlainović, N.; Jovanović, M.; Milčić, M. K.; Marinković, A. D. Solvent and Substituent Effect on Intramolecular Charge Transfer in 5-Arylidene-3-Substituted-2,4-Thiazolidinediones: Experimental and Theoretical Study, 2016. https://doi.org/10.1016/j.arabjc.2016.12.013. in Arabian Journal of Chemistry.
https://hdl.handle.net/21.15107/rcub_cherry_3613

Rančić M, Stojiljković IN, Milošević MD, Prlainović NZ, Jovanović M, Milčić MK, Marinković A. Supplementary material for the article: Rančić, M. P.; Stojiljković, I.; Milošević, M.; Prlainović, N.; Jovanović, M.; Milčić, M. K.; Marinković, A. D. Solvent and Substituent Effect on Intramolecular Charge Transfer in 5-Arylidene-3-Substituted-2,4-Thiazolidinediones: Experimental and Theoretical Study, 2016. https://doi.org/10.1016/j.arabjc.2016.12.013. in Arabian Journal of Chemistry. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3613 .

Rančić, Milica, Stojiljković, Ivana N., Milošević, Milena D., Prlainović, Nevena Z., Jovanović, Maja, Milčić, Miloš K., Marinković, Aleksandar, "Supplementary material for the article: Rančić, M. P.; Stojiljković, I.; Milošević, M.; Prlainović, N.; Jovanović, M.; Milčić, M. K.; Marinković, A. D. Solvent and Substituent Effect on Intramolecular Charge Transfer in 5-Arylidene-3-Substituted-2,4-Thiazolidinediones: Experimental and Theoretical Study, 2016. https://doi.org/10.1016/j.arabjc.2016.12.013" in Arabian Journal of Chemistry (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3613 .

TY  - JOUR
AU  - Rančić, Milica
AU  - Stojiljković, Ivana N.
AU  - Milošević, Milena D.
AU  - Prlainović, Nevena Z.
AU  - Jovanović, Maja
AU  - Milčić, Miloš K.
AU  - Marinković, Aleksandar
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/305
AB  - The substituent and solvent effect on intramolecular charge transfer (ICT) in 5-arylidene-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 Catalán solvent parameter sets. Linear free energy relationships (LFERs) have been applied to the UV-vis and 13C 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 π-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 (μCT). 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. © 2016 The Authors.
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
DO  - 10.1016/j.arabjc.2016.12.013
ER  - 

@article{
author = "Rančić, Milica and Stojiljković, Ivana N. and Milošević, Milena D. and Prlainović, Nevena Z. and Jovanović, Maja and Milčić, Miloš K. and Marinković, Aleksandar",
year = "2016",
abstract = "The substituent and solvent effect on intramolecular charge transfer (ICT) in 5-arylidene-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 Catalán solvent parameter sets. Linear free energy relationships (LFERs) have been applied to the UV-vis and 13C 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 π-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 (μCT). 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. © 2016 The Authors.",
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",
doi = "10.1016/j.arabjc.2016.12.013"
}

Rančić, M., Stojiljković, I. N., Milošević, M. D., Prlainović, N. Z., Jovanović, M., Milčić, M. K.,& Marinković, A.. (2016). 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.
https://doi.org/10.1016/j.arabjc.2016.12.013

Rančić M, Stojiljković IN, Milošević MD, Prlainović NZ, Jovanović M, Milčić MK, Marinković A. 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. 2016;.
doi:10.1016/j.arabjc.2016.12.013 .

Rančić, Milica, Stojiljković, Ivana N., Milošević, Milena D., Prlainović, Nevena Z., Jovanović, Maja, Milčić, Miloš K., Marinković, Aleksandar, "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 (2016),
https://doi.org/10.1016/j.arabjc.2016.12.013 . .