Study of the Synthesis, Structure and Activity of Natural and Synthetic Organic Compounds

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Study of the Synthesis, Structure and Activity of Natural and Synthetic Organic Compounds (en)
Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (sr)
Proučavanje sinteze, strukture i aktivnosti organskih jedinjenja prirodnog i sintetskog porekla (sr_RS)
Authors

Publications

Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study

Tomašević, Anđelka; Mijin, Dušan; Radišić, Marina; Prlainović, Nevena; Cvijetić, Ilija; Kovačević, Danijela V.; Marinković, Aleksandar

(Elsevier, 2020)

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela V.
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3832
AB  - This study describes photolysis of 1 × 10–4 M methomyl solution in deionized water and in eleven organic solvents, both polar and nonpolar: methanol, ethanol, n-propanol, isopropanol, sec-butanol, tert-butanol, isobutanol, isopentanol, n-hexane, acetonitrile, and dichloromethane. Photolysis of methomyl at 254 nm was performed using Osram mercury lamp (6 × 8 W) by exposing to irradiation for five hours. All photolytic methomyl reactions were studied by UV/Vis spectroscopy within a wavelength range of 190−300 nm (Spectrum Mode), and at 233.4 nm (Quantitative Mode), while the rate of photodecomposition of methomyl was measured using UV spectroscopy and HPLC. In order to get better insight in the photolysis of methomyl, a liquid chromatography-mass spectrometry (LC–MSn) was used. The rate of methomyl photolysis was solvent-specific and the following reaction rate order was established: deionized water > tert-butanol > n-hexane > sec-butanol > ethanol > isopentanol > isobutanol > isopropanol > methanol > acetonitrile > dichloromethane > n-propanol. Both nonspecific and specific solvent-solute interactions contribute mutually to the differences in the obtained quantum yields. Results of quantum chemical calculations, using CBS-QB3 method, provided insights into the solvent effects on both ground and excited state. The LC/MSn analysis showed the formation of several photolytic products.
PB  - Elsevier
T2  - Journal of Photochemistry and Photobiology A: Chemistry
T1  - Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study
VL  - 391
SP  - e112366
DO  - 10.1016/j.jphotochem.2020.112366
ER  - 
@article{
author = "Tomašević, Anđelka and Mijin, Dušan and Radišić, Marina and Prlainović, Nevena and Cvijetić, Ilija and Kovačević, Danijela V. and Marinković, Aleksandar",
year = "2020",
abstract = "This study describes photolysis of 1 × 10–4 M methomyl solution in deionized water and in eleven organic solvents, both polar and nonpolar: methanol, ethanol, n-propanol, isopropanol, sec-butanol, tert-butanol, isobutanol, isopentanol, n-hexane, acetonitrile, and dichloromethane. Photolysis of methomyl at 254 nm was performed using Osram mercury lamp (6 × 8 W) by exposing to irradiation for five hours. All photolytic methomyl reactions were studied by UV/Vis spectroscopy within a wavelength range of 190−300 nm (Spectrum Mode), and at 233.4 nm (Quantitative Mode), while the rate of photodecomposition of methomyl was measured using UV spectroscopy and HPLC. In order to get better insight in the photolysis of methomyl, a liquid chromatography-mass spectrometry (LC–MSn) was used. The rate of methomyl photolysis was solvent-specific and the following reaction rate order was established: deionized water > tert-butanol > n-hexane > sec-butanol > ethanol > isopentanol > isobutanol > isopropanol > methanol > acetonitrile > dichloromethane > n-propanol. Both nonspecific and specific solvent-solute interactions contribute mutually to the differences in the obtained quantum yields. Results of quantum chemical calculations, using CBS-QB3 method, provided insights into the solvent effects on both ground and excited state. The LC/MSn analysis showed the formation of several photolytic products.",
publisher = "Elsevier",
journal = "Journal of Photochemistry and Photobiology A: Chemistry",
title = "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study",
volume = "391",
pages = "e112366",
doi = "10.1016/j.jphotochem.2020.112366"
}
Tomašević, A., Mijin, D., Radišić, M., Prlainović, N., Cvijetić, I., Kovačević, D. V.,& Marinković, A.. (2020). Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study. in Journal of Photochemistry and Photobiology A: Chemistry
Elsevier., 391, e112366.
https://doi.org/10.1016/j.jphotochem.2020.112366
Tomašević A, Mijin D, Radišić M, Prlainović N, Cvijetić I, Kovačević DV, Marinković A. Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study. in Journal of Photochemistry and Photobiology A: Chemistry. 2020;391:e112366.
doi:10.1016/j.jphotochem.2020.112366 .
Tomašević, Anđelka, Mijin, Dušan, Radišić, Marina, Prlainović, Nevena, Cvijetić, Ilija, Kovačević, Danijela V., Marinković, Aleksandar, "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study" in Journal of Photochemistry and Photobiology A: Chemistry, 391 (2020):e112366,
https://doi.org/10.1016/j.jphotochem.2020.112366 . .
1
1

Synthesis, solvent interactions and computational study of monocarbohydrazones

Mrđan, Gorana S.; Matijević, Borko M.; Vastag, Gyöngyi Gy.; Božić, Aleksandra R.; Marinković, Aleksandar ; Milčić, Miloš K.; Stojiljković, Ivana N.

(2020)

TY  - JOUR
AU  - Mrđan, Gorana S.
AU  - Matijević, Borko M.
AU  - Vastag, Gyöngyi Gy.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar 
AU  - Milčić, Miloš K.
AU  - Stojiljković, Ivana N.
PY  - 2020
UR  - https://doi.org/10.1007/s11696-020-01106-4
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4280
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.
T2  - Chemical Papers
T1  - Synthesis, solvent interactions and computational study of monocarbohydrazones
VL  - 74
IS  - 8
SP  - 2653
EP  - 2674
DO  - 10.1007/s11696-020-01106-4
ER  - 
@article{
author = "Mrđan, Gorana S. and Matijević, Borko M. and Vastag, Gyöngyi Gy. and Božić, Aleksandra R. and Marinković, Aleksandar  and Milčić, Miloš K. and Stojiljković, Ivana N.",
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.",
journal = "Chemical Papers",
title = "Synthesis, solvent interactions and computational study of monocarbohydrazones",
volume = "74",
number = "8",
pages = "2653-2674",
doi = "10.1007/s11696-020-01106-4"
}
Mrđan, G. S., Matijević, B. M., Vastag, G. Gy., Božić, A. R., Marinković, A., Milčić, M. K.,& Stojiljković, I. N.. (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
Mrđan GS, Matijević BM, Vastag GG, Božić AR, Marinković A, Milčić MK, Stojiljković IN. Synthesis, solvent interactions and computational study of monocarbohydrazones. in Chemical Papers. 2020;74(8):2653-2674.
doi:10.1007/s11696-020-01106-4 .
Mrđan, Gorana S., Matijević, Borko M., Vastag, Gyöngyi Gy., Božić, Aleksandra R., Marinković, Aleksandar , Milčić, Miloš K., Stojiljković, Ivana N., "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 . .
1
1
1

A detailed experimental and computational study of monocarbohydrazones

Božić, Aleksandra R.; Filipović, Nenad R.; Verbić, Tatjana; Milčić, Miloš K.; Todorović, Tamara; Cvijetić, Ilija; Klisurić, Olivera; Radišić, Marina; Marinković, Aleksandar

(Elsevier, 2020)

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Filipović, Nenad R.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Klisurić, Olivera
AU  - Radišić, Marina
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/318
AB  - The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalán models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK a change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation. © 2017.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - A detailed experimental and computational study of monocarbohydrazones
VL  - 13
IS  - 1
SP  - 932
EP  - 953
DO  - 10.1016/j.arabjc.2017.08.010
UR  - Kon_1285
ER  - 
@article{
author = "Božić, Aleksandra R. and Filipović, Nenad R. and Verbić, Tatjana and Milčić, Miloš K. and Todorović, Tamara and Cvijetić, Ilija and Klisurić, Olivera and Radišić, Marina and Marinković, Aleksandar",
year = "2020",
abstract = "The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalán models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK a change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation. © 2017.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "A detailed experimental and computational study of monocarbohydrazones",
volume = "13",
number = "1",
pages = "932-953",
doi = "10.1016/j.arabjc.2017.08.010",
url = "Kon_1285"
}
Božić, A. R., Filipović, N. R., Verbić, T., Milčić, M. K., Todorović, T., Cvijetić, I., Klisurić, O., Radišić, M.,& Marinković, A.. (2020). A detailed experimental and computational study of monocarbohydrazones. in Arabian Journal of Chemistry
Elsevier., 13(1), 932-953.
https://doi.org/10.1016/j.arabjc.2017.08.010
Kon_1285
Božić AR, Filipović NR, Verbić T, Milčić MK, Todorović T, Cvijetić I, Klisurić O, Radišić M, Marinković A. A detailed experimental and computational study of monocarbohydrazones. in Arabian Journal of Chemistry. 2020;13(1):932-953.
doi:10.1016/j.arabjc.2017.08.010
Kon_1285 .
Božić, Aleksandra R., Filipović, Nenad R., Verbić, Tatjana, Milčić, Miloš K., Todorović, Tamara, Cvijetić, Ilija, Klisurić, Olivera, Radišić, Marina, Marinković, Aleksandar, "A detailed experimental and computational study of monocarbohydrazones" in Arabian Journal of Chemistry, 13, no. 1 (2020):932-953,
https://doi.org/10.1016/j.arabjc.2017.08.010 .,
Kon_1285 .
5
3
4

Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366

Tomašević, Anđelka; Mijin, Dušan; Radišić, Marina; Prlainović, Nevena; Cvijetić, Ilija; Kovačević, Danijela V.; Marinković, Aleksandar

(Elsevier, 2020)

TY  - DATA
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela V.
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3833
PB  - Elsevier
T2  - Journal of Photochemistry and Photobiology A: Chemistry
T1  - Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366
ER  - 
@misc{
author = "Tomašević, Anđelka and Mijin, Dušan and Radišić, Marina and Prlainović, Nevena and Cvijetić, Ilija and Kovačević, Danijela V. and Marinković, Aleksandar",
year = "2020",
publisher = "Elsevier",
journal = "Journal of Photochemistry and Photobiology A: Chemistry",
title = "Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366"
}
Tomašević, A., Mijin, D., Radišić, M., Prlainović, N., Cvijetić, I., Kovačević, D. V.,& Marinković, A.. (2020). Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366. in Journal of Photochemistry and Photobiology A: Chemistry
Elsevier..
Tomašević A, Mijin D, Radišić M, Prlainović N, Cvijetić I, Kovačević DV, Marinković A. Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366. in Journal of Photochemistry and Photobiology A: Chemistry. 2020;..
Tomašević, Anđelka, Mijin, Dušan, Radišić, Marina, Prlainović, Nevena, Cvijetić, Ilija, Kovačević, Danijela V., Marinković, Aleksandar, "Supplementary data for article: Tomašević, A.; Mijin, D.; Radišić, M.; Prlainović, N.; Cvijetić, I.; Kovačević, D. V.; Marinković, A. Photolysis of Insecticide Methomyl in Various Solvents: An Experimental and Theoretical Study. Journal of Photochemistry and Photobiology A: Chemistry 2020, 391. https://doi.org/10.1016/j.jphotochem.2020.112366" in Journal of Photochemistry and Photobiology A: Chemistry (2020).

Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study

Assaleh, Mohamed H.; Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Milošević, Milena D.; Simić, Milena R.; Marinković, Aleksandar; Cvijetić, Ilija

(2019)

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3846
AB  - Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH∙). The appearance of thiolic –SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.
T2  - Structural Chemistry
T1  - Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study
VL  - 30
IS  - 6
SP  - 2447
EP  - 2457
DO  - 10.1007/s11224-019-01371-4
ER  - 
@article{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar and Cvijetić, Ilija",
year = "2019",
abstract = "Thiocarbohydrazones (TCHs) and structurally related molecules are versatile organic compounds which exert antioxidant, anticancer, and other beneficial health effects. The combination of UV/Vis, NMR spectroscopy, and quantum chemical calculations was used to rationalize the experimentally observed increase in the radical scavenging activity upon the addition of water in DMSO solution of TCHs. Mono- and bis(salicylaldehyde) TCHs (compounds 1 and 2) undergo water-induced E-to-Z isomerization which is followed by disruption of intramolecular hydrogen bond, ground state destabilization, and 11 kcal/mol decrease in the bond dissociation enthalpy (BDE). Electron spin delocalization is more pronounced in Z-isomers of 1 and 2. On the other hand, 2-acetylpyridine TCHs (compounds 3 and 4) undergo thione-to-thiol tautomerism which also decreases the BDE and facilitates the hydrogen atom transfer to 2,2-diphenyl-1-picrylhydrazyl radical (DPPH∙). The appearance of thiolic –SH group as another reactive site toward free radicals improves the antioxidant activity of 3 and 4. The spin density of 3- and 4-thiol radicals is delocalized over the entire thiocarbohydrazide moiety compared to more localized spin of thione radicals. Additional stabilization of thiol radicals corroborates with the increased antioxidant activity. This study provides the new insights on the solution structure of TCHs, and also highlights the importance of solution structure determination when studying the structure-antioxidant relationships of isomerizable compounds.",
journal = "Structural Chemistry",
title = "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study",
volume = "30",
number = "6",
pages = "2447-2457",
doi = "10.1007/s11224-019-01371-4"
}
Assaleh, M. H., Božić, A. R., Bjelogrlić, S. K., Milošević, M. D., Simić, M. R., Marinković, A.,& Cvijetić, I.. (2019). Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry, 30(6), 2447-2457.
https://doi.org/10.1007/s11224-019-01371-4
Assaleh MH, Božić AR, Bjelogrlić SK, Milošević MD, Simić MR, Marinković A, Cvijetić I. Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study. in Structural Chemistry. 2019;30(6):2447-2457.
doi:10.1007/s11224-019-01371-4 .
Assaleh, Mohamed H., Božić, Aleksandra R., Bjelogrlić, Snežana K., Milošević, Milena D., Simić, Milena R., Marinković, Aleksandar, Cvijetić, Ilija, "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study" in Structural Chemistry, 30, no. 6 (2019):2447-2457,
https://doi.org/10.1007/s11224-019-01371-4 . .
3
3
3

Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4

Assaleh, Mohamed H.; Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Milošević, Milena D.; Simić, Milena R.; Marinković, Aleksandar; Cvijetić, Ilija

(2019)

TY  - DATA
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3848
T2  - Structural Chemistry
T1  - Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4
ER  - 
@misc{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar and Cvijetić, Ilija",
year = "2019",
journal = "Structural Chemistry",
title = "Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4"
}
Assaleh, M. H., Božić, A. R., Bjelogrlić, S. K., Milošević, M. D., Simić, M. R., Marinković, A.,& Cvijetić, I.. (2019). Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4. in Structural Chemistry.
Assaleh MH, Božić AR, Bjelogrlić SK, Milošević MD, Simić MR, Marinković A, Cvijetić I. Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4. in Structural Chemistry. 2019;..
Assaleh, Mohamed H., Božić, Aleksandra R., Bjelogrlić, Snežana K., Milošević, Milena D., Simić, Milena R., Marinković, Aleksandar, Cvijetić, Ilija, "Supplementary data for the article: Assaleh, M. H.; Božić, A. R.; Bjelogrlić, S.; Milošević, M.; Simić, M.; Marinković, A. D.; Cvijetić, I. N. Water-Induced Isomerism of Salicylaldehyde and 2-Acetylpyridine Mono- and Bis-(Thiocarbohydrazones) Improves the Antioxidant Activity: Spectroscopic and DFT Study. Struct Chem 2019, 30 (6), 2447–2457. https://doi.org/10.1007/s11224-019-01371-4" in Structural Chemistry (2019).

Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691

Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Novaković, Irena T.; Filipović, Nenad R.; Petrović, Predrag; Marinković, Aleksandar; Todorović, Tamara; Cvijetić, Ilija

(Wiley-V C H Verlag Gmbh, Weinheim, 2018)

TY  - DATA
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Novaković, Irena T.
AU  - Filipović, Nenad R.
AU  - Petrović, Predrag
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3103
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - CHEMISTRYSELECT
T1  - Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691
UR  - Kon_3425
ER  - 
@misc{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena T. and Filipović, Nenad R. and Petrović, Predrag and Marinković, Aleksandar and Todorović, Tamara and Cvijetić, Ilija",
year = "2018",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "CHEMISTRYSELECT",
title = "Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691",
url = "Kon_3425"
}
Božić, A. R., Bjelogrlić, S. K., Novaković, I. T., Filipović, N. R., Petrović, P., Marinković, A., Todorović, T.,& Cvijetić, I.. (2018). Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691. in CHEMISTRYSELECT
Wiley-V C H Verlag Gmbh, Weinheim..
Kon_3425
Božić AR, Bjelogrlić SK, Novaković IT, Filipović NR, Petrović P, Marinković A, Todorović T, Cvijetić I. Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691. in CHEMISTRYSELECT. 2018;.
Kon_3425 .
Božić, Aleksandra R., Bjelogrlić, Snežana K., Novaković, Irena T., Filipović, Nenad R., Petrović, Predrag, Marinković, Aleksandar, Todorović, Tamara, Cvijetić, Ilija, "Supplementary data for the article: Božić, A. R.; Bjelogrlić, S. K.; Novaković, I. T.; Filipović, N. R.; Petrović, P. M.; Marinković, A. D.; Todorović, T. R.; Cvijetić, I. N. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. ChemistrySelect 2018, 3 (7), 2215–2221. https://doi.org/10.1002/slct.201702691" in CHEMISTRYSELECT (2018),
Kon_3425 .

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

Milošević, Milena D.; Prlainović, Nevena Z.; Milčić, Miloš K.; Nikolić, Vesna; Božić, Aleksandra R.; Bigović, Miljan; Marinković, Aleksandar

(Springer, New York, 2018)

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  - http://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
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"
}
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..
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;..
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).

Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models

Božić, Aleksandra R.; Bjelogrlić, Snežana K.; Novaković, Irena T.; Filipović, Nenad R.; Petrović, Predrag; Marinković, Aleksandar; Todorović, Tamara; Cvijetić, Ilija

(Wiley-V C H Verlag Gmbh, Weinheim, 2018)

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Novaković, Irena T.
AU  - Filipović, Nenad R.
AU  - Petrović, Predrag
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
PY  - 2018
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2094
AB  - Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - CHEMISTRYSELECT
T1  - Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models
VL  - 3
IS  - 7
SP  - 2215
EP  - 2221
DO  - 10.1002/slct.201702691
UR  - Kon_3425
ER  - 
@article{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena T. and Filipović, Nenad R. and Petrović, Predrag and Marinković, Aleksandar and Todorović, Tamara and Cvijetić, Ilija",
year = "2018",
abstract = "Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "CHEMISTRYSELECT",
title = "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models",
volume = "3",
number = "7",
pages = "2215-2221",
doi = "10.1002/slct.201702691",
url = "Kon_3425"
}
Božić, A. R., Bjelogrlić, S. K., Novaković, I. T., Filipović, N. R., Petrović, P., Marinković, A., Todorović, T.,& Cvijetić, I.. (2018). Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. in CHEMISTRYSELECT
Wiley-V C H Verlag Gmbh, Weinheim., 3(7), 2215-2221.
https://doi.org/10.1002/slct.201702691
Kon_3425
Božić AR, Bjelogrlić SK, Novaković IT, Filipović NR, Petrović P, Marinković A, Todorović T, Cvijetić I. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. in CHEMISTRYSELECT. 2018;3(7):2215-2221.
doi:10.1002/slct.201702691
Kon_3425 .
Božić, Aleksandra R., Bjelogrlić, Snežana K., Novaković, Irena T., Filipović, Nenad R., Petrović, Predrag, Marinković, Aleksandar, Todorović, Tamara, Cvijetić, Ilija, "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models" in CHEMISTRYSELECT, 3, no. 7 (2018):2215-2221,
https://doi.org/10.1002/slct.201702691 .,
Kon_3425 .
1
6
4
6

Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base

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.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

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  - http://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
UR  - Kon_3452
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",
url = "Kon_3452"
}
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
Kon_3452
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
Kon_3452 .
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 .,
Kon_3452 .
5
5
6

Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base

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.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

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  - http://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
UR  - Kon_3452
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",
url = "Kon_3452"
}
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
Kon_3452
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
Kon_3452 .
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 .,
Kon_3452 .
5
5
6

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

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.

(Pergamon-Elsevier Science Ltd, Oxford, 2018)

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  - http://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
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"
}
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..
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;..
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).

Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides

Milošević, Milena D.; Prlainović, Nevena Z.; Milčić, Miloš K.; Nikolić, Vesna; Božić, Aleksandra R.; Bigović, Miljan; Marinković, Aleksandar

(Springer, New York, 2018)

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  - http://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
UR  - Kon_3547
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",
url = "Kon_3547"
}
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
Kon_3547
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
Kon_3547 .
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 .,
Kon_3547 .
1
1
1

Supplementary data for article: Božić, A. R.; Filipović, N. R.; Verbić, T.; Milčić, M. K.; Todorović, T.; Cvijetić, I.; Klisurić, O.; Radišić, M.; Marinković, A. A Detailed Experimental and Computational Study of Monocarbohydrazones. Arabian Journal of Chemistry 2020. https://doi.org/10.1016/j.arabjc.2017.08.010

Božić, Aleksandra R.; Filipović, Nenad R.; Verbić, Tatjana; Milčić, Miloš K.; Todorović, Tamara; Cvijetić, Ilija; Klisurić, Olivera; Radišić, Marina; Marinković, Aleksandar

(Elsevier, 2017)

TY  - DATA
AU  - Božić, Aleksandra R.
AU  - Filipović, Nenad R.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Klisurić, Olivera
AU  - Radišić, Marina
AU  - Marinković, Aleksandar
PY  - 2017
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2968
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Supplementary data for article: Božić, A. R.; Filipović, N. R.; Verbić, T.; Milčić, M. K.; Todorović, T.; Cvijetić, I.; Klisurić, O.; Radišić, M.; Marinković, A. A Detailed Experimental and Computational Study of Monocarbohydrazones. Arabian Journal of Chemistry 2020. https://doi.org/10.1016/j.arabjc.2017.08.010
ER  - 
@misc{
author = "Božić, Aleksandra R. and Filipović, Nenad R. and Verbić, Tatjana and Milčić, Miloš K. and Todorović, Tamara and Cvijetić, Ilija and Klisurić, Olivera and Radišić, Marina and Marinković, Aleksandar",
year = "2017",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Supplementary data for article: Božić, A. R.; Filipović, N. R.; Verbić, T.; Milčić, M. K.; Todorović, T.; Cvijetić, I.; Klisurić, O.; Radišić, M.; Marinković, A. A Detailed Experimental and Computational Study of Monocarbohydrazones. Arabian Journal of Chemistry 2020. https://doi.org/10.1016/j.arabjc.2017.08.010"
}
Božić, A. R., Filipović, N. R., Verbić, T., Milčić, M. K., Todorović, T., Cvijetić, I., Klisurić, O., Radišić, M.,& Marinković, A.. (2017). Supplementary data for article: Božić, A. R.; Filipović, N. R.; Verbić, T.; Milčić, M. K.; Todorović, T.; Cvijetić, I.; Klisurić, O.; Radišić, M.; Marinković, A. A Detailed Experimental and Computational Study of Monocarbohydrazones. Arabian Journal of Chemistry 2020. https://doi.org/10.1016/j.arabjc.2017.08.010. in Arabian Journal of Chemistry
Elsevier..
Božić AR, Filipović NR, Verbić T, Milčić MK, Todorović T, Cvijetić I, Klisurić O, Radišić M, Marinković A. Supplementary data for article: Božić, A. R.; Filipović, N. R.; Verbić, T.; Milčić, M. K.; Todorović, T.; Cvijetić, I.; Klisurić, O.; Radišić, M.; Marinković, A. A Detailed Experimental and Computational Study of Monocarbohydrazones. Arabian Journal of Chemistry 2020. https://doi.org/10.1016/j.arabjc.2017.08.010. in Arabian Journal of Chemistry. 2017;..
Božić, Aleksandra R., Filipović, Nenad R., Verbić, Tatjana, Milčić, Miloš K., Todorović, Tamara, Cvijetić, Ilija, Klisurić, Olivera, Radišić, Marina, Marinković, Aleksandar, "Supplementary data for article: Božić, A. R.; Filipović, N. R.; Verbić, T.; Milčić, M. K.; Todorović, T.; Cvijetić, I.; Klisurić, O.; Radišić, M.; Marinković, A. A Detailed Experimental and Computational Study of Monocarbohydrazones. Arabian Journal of Chemistry 2020. https://doi.org/10.1016/j.arabjc.2017.08.010" in Arabian Journal of Chemistry (2017).

Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models

Božić, Aleksandra R.; Marinković, Aleksandar; Bjelogrlić, Snežana K.; Todorović, Tamara; Cvijetić, Ilija; Novaković, Irena T.; Muller, Christian D.; Filipović, Nenad R.

(Royal Soc Chemistry, Cambridge, 2016)

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Novaković, Irena T.
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2016
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/2352
AB  - A comparative study of antitumor activity of mono- and bis-quinoline based (thio) carbohydrazones was investigated by a series of tests on two human malignant cell lines: acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma cancer stem cells (AsPC-1). Thiocarbohydrazones (TCHs) revealed superior pro-apoptotic activity over carbohydrazones (CHs) on both tested cell phenotypes, also displaying multi-target profile activities. Programmed cell death triggered by TCHs was partially caspase-dependent, mainly caspase-8 related. Activity against cancer stem cells (CSCs) was evaluated on 2D monolayers and 3D spheroidal models, where two out of three tested bis-TCHs successfully stimulated apoptosis accompanied by a reduction in size of treated spheres. Additionally, all bis-TCHs induced significant decrease in percentage of CD44-expressing AsPC-1 cells that indicate on their ability to induce reprogramming of CSC phenotype. Current results highly support further assessment of bis-TCHs in order to specify their specific targets in cancer cells and particularly in the CSCs subpopulation.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models
VL  - 6
IS  - 106
SP  - 104763
EP  - 104781
DO  - 10.1039/c6ra23940d
UR  - Kon_3168
ER  - 
@article{
author = "Božić, Aleksandra R. and Marinković, Aleksandar and Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Novaković, Irena T. and Muller, Christian D. and Filipović, Nenad R.",
year = "2016",
abstract = "A comparative study of antitumor activity of mono- and bis-quinoline based (thio) carbohydrazones was investigated by a series of tests on two human malignant cell lines: acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma cancer stem cells (AsPC-1). Thiocarbohydrazones (TCHs) revealed superior pro-apoptotic activity over carbohydrazones (CHs) on both tested cell phenotypes, also displaying multi-target profile activities. Programmed cell death triggered by TCHs was partially caspase-dependent, mainly caspase-8 related. Activity against cancer stem cells (CSCs) was evaluated on 2D monolayers and 3D spheroidal models, where two out of three tested bis-TCHs successfully stimulated apoptosis accompanied by a reduction in size of treated spheres. Additionally, all bis-TCHs induced significant decrease in percentage of CD44-expressing AsPC-1 cells that indicate on their ability to induce reprogramming of CSC phenotype. Current results highly support further assessment of bis-TCHs in order to specify their specific targets in cancer cells and particularly in the CSCs subpopulation.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models",
volume = "6",
number = "106",
pages = "104763-104781",
doi = "10.1039/c6ra23940d",
url = "Kon_3168"
}
Božić, A. R., Marinković, A., Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Novaković, I. T., Muller, C. D.,& Filipović, N. R.. (2016). Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models. in RSC Advances
Royal Soc Chemistry, Cambridge., 6(106), 104763-104781.
https://doi.org/10.1039/c6ra23940d
Kon_3168
Božić AR, Marinković A, Bjelogrlić SK, Todorović T, Cvijetić I, Novaković IT, Muller CD, Filipović NR. Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models. in RSC Advances. 2016;6(106):104763-104781.
doi:10.1039/c6ra23940d
Kon_3168 .
Božić, Aleksandra R., Marinković, Aleksandar, Bjelogrlić, Snežana K., Todorović, Tamara, Cvijetić, Ilija, Novaković, Irena T., Muller, Christian D., Filipović, Nenad R., "Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models" in RSC Advances, 6, no. 106 (2016):104763-104781,
https://doi.org/10.1039/c6ra23940d .,
Kon_3168 .
14
12
18

Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models

Elshaflu, Hana; Bjelogrlić, Snežana K.; Muller, Christian D.; Todorović, Tamara; Rodić, Marko; Marinković, Aleksandar; Filipović, Nenad R.

(Taylor & Francis Ltd, Abingdon, 2016)

TY  - JOUR
AU  - Elshaflu, Hana
AU  - Bjelogrlić, Snežana K.
AU  - Muller, Christian D.
AU  - Todorović, Tamara
AU  - Rodić, Marko
AU  - Marinković, Aleksandar
AU  - Filipović, Nenad R.
PY  - 2016
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3411
AB  - Co(III) complex with a 2-hydrazonylthiazole ligand was synthesized and characterized by single-crystal X-ray diffraction. In the inner sphere of the complex, two monoionic ligands are coordinated tridentately forming octahedral geometry around Co(III). Activity of the complex was investigated on MCF-7 breast cancer cell line, with cisplatin (CDDP) as a reference compound. Results showed that after 24-h incubation, Co(III) complex revealed stronger cytotoxic activity compared to CDDP. Treatment of MCF-7 3-D cell model with the complex at 10M concentration achieved complete suppression of spheroid growth in almost the same extent as at 100M. In combination treatments on MCF-7 spheroids, the complex acted synergistically with CDDP, while additive interaction type was achieved when the complex was applied together with paclitaxel. [GRAPHICS] .
PB  - Taylor & Francis Ltd, Abingdon
T2  - Journal of Coordination Chemistry
T1  - Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models
VL  - 69
IS  - 22
SP  - 3354
EP  - 3366
DO  - 10.1080/00958972.2016.1232404
UR  - Kon_3066
ER  - 
@article{
author = "Elshaflu, Hana and Bjelogrlić, Snežana K. and Muller, Christian D. and Todorović, Tamara and Rodić, Marko and Marinković, Aleksandar and Filipović, Nenad R.",
year = "2016",
abstract = "Co(III) complex with a 2-hydrazonylthiazole ligand was synthesized and characterized by single-crystal X-ray diffraction. In the inner sphere of the complex, two monoionic ligands are coordinated tridentately forming octahedral geometry around Co(III). Activity of the complex was investigated on MCF-7 breast cancer cell line, with cisplatin (CDDP) as a reference compound. Results showed that after 24-h incubation, Co(III) complex revealed stronger cytotoxic activity compared to CDDP. Treatment of MCF-7 3-D cell model with the complex at 10M concentration achieved complete suppression of spheroid growth in almost the same extent as at 100M. In combination treatments on MCF-7 spheroids, the complex acted synergistically with CDDP, while additive interaction type was achieved when the complex was applied together with paclitaxel. [GRAPHICS] .",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Journal of Coordination Chemistry",
title = "Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models",
volume = "69",
number = "22",
pages = "3354-3366",
doi = "10.1080/00958972.2016.1232404",
url = "Kon_3066"
}
Elshaflu, H., Bjelogrlić, S. K., Muller, C. D., Todorović, T., Rodić, M., Marinković, A.,& Filipović, N. R.. (2016). Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models. in Journal of Coordination Chemistry
Taylor & Francis Ltd, Abingdon., 69(22), 3354-3366.
https://doi.org/10.1080/00958972.2016.1232404
Kon_3066
Elshaflu H, Bjelogrlić SK, Muller CD, Todorović T, Rodić M, Marinković A, Filipović NR. Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models. in Journal of Coordination Chemistry. 2016;69(22):3354-3366.
doi:10.1080/00958972.2016.1232404
Kon_3066 .
Elshaflu, Hana, Bjelogrlić, Snežana K., Muller, Christian D., Todorović, Tamara, Rodić, Marko, Marinković, Aleksandar, Filipović, Nenad R., "Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models" in Journal of Coordination Chemistry, 69, no. 22 (2016):3354-3366,
https://doi.org/10.1080/00958972.2016.1232404 .,
Kon_3066 .
9
10
10

Supplementary data for the article: Božić, A.; Marinković, A.; Bjelogrlić, S.; Todorović, T. R.; Cvijetić, I. N.; Novaković, I.; Muller, C. D.; Filipović, N. R. Quinoline Based Mono- and Bis-(Thio)Carbohydrazones: Synthesis, Anticancer Activity in 2D and 3D Cancer and Cancer Stem Cell Models. RSC Advances 2016, 6 (106), 104763–104781. https://doi.org/10.1039/c6ra23940d

Božić, Aleksandra R.; Marinković, Aleksandar; Bjelogrlić, Snežana K.; Todorović, Tamara; Cvijetić, Ilija; Novaković, Irena T.; Muller, Christian D.; Filipović, Nenad R.

(Royal Soc Chemistry, Cambridge, 2016)

TY  - DATA
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Novaković, Irena T.
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2016
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3604
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Supplementary data for the article: Božić, A.; Marinković, A.; Bjelogrlić, S.; Todorović, T. R.; Cvijetić, I. N.; Novaković, I.; Muller, C. D.; Filipović, N. R. Quinoline Based Mono- and Bis-(Thio)Carbohydrazones: Synthesis, Anticancer Activity in 2D and 3D Cancer and Cancer Stem Cell Models. RSC Advances 2016, 6 (106), 104763–104781. https://doi.org/10.1039/c6ra23940d
ER  - 
@misc{
author = "Božić, Aleksandra R. and Marinković, Aleksandar and Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Novaković, Irena T. and Muller, Christian D. and Filipović, Nenad R.",
year = "2016",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Supplementary data for the article: Božić, A.; Marinković, A.; Bjelogrlić, S.; Todorović, T. R.; Cvijetić, I. N.; Novaković, I.; Muller, C. D.; Filipović, N. R. Quinoline Based Mono- and Bis-(Thio)Carbohydrazones: Synthesis, Anticancer Activity in 2D and 3D Cancer and Cancer Stem Cell Models. RSC Advances 2016, 6 (106), 104763–104781. https://doi.org/10.1039/c6ra23940d"
}
Božić, A. R., Marinković, A., Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Novaković, I. T., Muller, C. D.,& Filipović, N. R.. (2016). Supplementary data for the article: Božić, A.; Marinković, A.; Bjelogrlić, S.; Todorović, T. R.; Cvijetić, I. N.; Novaković, I.; Muller, C. D.; Filipović, N. R. Quinoline Based Mono- and Bis-(Thio)Carbohydrazones: Synthesis, Anticancer Activity in 2D and 3D Cancer and Cancer Stem Cell Models. RSC Advances 2016, 6 (106), 104763–104781. https://doi.org/10.1039/c6ra23940d. in RSC Advances
Royal Soc Chemistry, Cambridge..
Božić AR, Marinković A, Bjelogrlić SK, Todorović T, Cvijetić I, Novaković IT, Muller CD, Filipović NR. Supplementary data for the article: Božić, A.; Marinković, A.; Bjelogrlić, S.; Todorović, T. R.; Cvijetić, I. N.; Novaković, I.; Muller, C. D.; Filipović, N. R. Quinoline Based Mono- and Bis-(Thio)Carbohydrazones: Synthesis, Anticancer Activity in 2D and 3D Cancer and Cancer Stem Cell Models. RSC Advances 2016, 6 (106), 104763–104781. https://doi.org/10.1039/c6ra23940d. in RSC Advances. 2016;..
Božić, Aleksandra R., Marinković, Aleksandar, Bjelogrlić, Snežana K., Todorović, Tamara, Cvijetić, Ilija, Novaković, Irena T., Muller, Christian D., Filipović, Nenad R., "Supplementary data for the article: Božić, A.; Marinković, A.; Bjelogrlić, S.; Todorović, T. R.; Cvijetić, I. N.; Novaković, I.; Muller, C. D.; Filipović, N. R. Quinoline Based Mono- and Bis-(Thio)Carbohydrazones: Synthesis, Anticancer Activity in 2D and 3D Cancer and Cancer Stem Cell Models. RSC Advances 2016, 6 (106), 104763–104781. https://doi.org/10.1039/c6ra23940d" in RSC Advances (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

Rančić, Milica; Stojiljković, Ivana N.; Milošević, Milena D.; Prlainović, Nevena Z.; Jovanović, Maja; Milčić, Miloš K.; Marinković, Aleksandar

(2016)

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  - http://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
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"
}
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.
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;..
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).

Solvent and substituent effect on intramolecular charge transfer in 5-arylidene-3-substituted-2,4-thiazolidinediones: Experimental and theoretical study

Rančić, Milica; Stojiljković, Ivana N.; Milošević, Milena D.; Prlainović, Nevena Z.; Jovanović, Maja; Milčić, Miloš K.; Marinković, Aleksandar

(2016)

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  - http://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
UR  - Kon_1269
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",
url = "Kon_1269"
}
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
Kon_1269
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
Kon_1269 .
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 .,
Kon_1269 .
7
3
5

Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models

Elshaflu, Hana; Bjelogrlić, Snežana K.; Muller, Christian D.; Todorović, Tamara; Rodić, Marko; Marinković, Aleksandar; Filipović, Nenad R.

(Taylor & Francis Ltd, Abingdon, 2016)

TY  - JOUR
AU  - Elshaflu, Hana
AU  - Bjelogrlić, Snežana K.
AU  - Muller, Christian D.
AU  - Todorović, Tamara
AU  - Rodić, Marko
AU  - Marinković, Aleksandar
AU  - Filipović, Nenad R.
PY  - 2016
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1947
AB  - Co(III) complex with a 2-hydrazonylthiazole ligand was synthesized and characterized by single-crystal X-ray diffraction. In the inner sphere of the complex, two monoionic ligands are coordinated tridentately forming octahedral geometry around Co(III). Activity of the complex was investigated on MCF-7 breast cancer cell line, with cisplatin (CDDP) as a reference compound. Results showed that after 24-h incubation, Co(III) complex revealed stronger cytotoxic activity compared to CDDP. Treatment of MCF-7 3-D cell model with the complex at 10M concentration achieved complete suppression of spheroid growth in almost the same extent as at 100M. In combination treatments on MCF-7 spheroids, the complex acted synergistically with CDDP, while additive interaction type was achieved when the complex was applied together with paclitaxel. [GRAPHICS] .
PB  - Taylor & Francis Ltd, Abingdon
T2  - Journal of Coordination Chemistry
T1  - Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models
VL  - 69
IS  - 22
SP  - 3354
EP  - 3366
DO  - 10.1080/00958972.2016.1232404
UR  - Kon_3066
ER  - 
@article{
author = "Elshaflu, Hana and Bjelogrlić, Snežana K. and Muller, Christian D. and Todorović, Tamara and Rodić, Marko and Marinković, Aleksandar and Filipović, Nenad R.",
year = "2016",
abstract = "Co(III) complex with a 2-hydrazonylthiazole ligand was synthesized and characterized by single-crystal X-ray diffraction. In the inner sphere of the complex, two monoionic ligands are coordinated tridentately forming octahedral geometry around Co(III). Activity of the complex was investigated on MCF-7 breast cancer cell line, with cisplatin (CDDP) as a reference compound. Results showed that after 24-h incubation, Co(III) complex revealed stronger cytotoxic activity compared to CDDP. Treatment of MCF-7 3-D cell model with the complex at 10M concentration achieved complete suppression of spheroid growth in almost the same extent as at 100M. In combination treatments on MCF-7 spheroids, the complex acted synergistically with CDDP, while additive interaction type was achieved when the complex was applied together with paclitaxel. [GRAPHICS] .",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Journal of Coordination Chemistry",
title = "Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models",
volume = "69",
number = "22",
pages = "3354-3366",
doi = "10.1080/00958972.2016.1232404",
url = "Kon_3066"
}
Elshaflu, H., Bjelogrlić, S. K., Muller, C. D., Todorović, T., Rodić, M., Marinković, A.,& Filipović, N. R.. (2016). Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models. in Journal of Coordination Chemistry
Taylor & Francis Ltd, Abingdon., 69(22), 3354-3366.
https://doi.org/10.1080/00958972.2016.1232404
Kon_3066
Elshaflu H, Bjelogrlić SK, Muller CD, Todorović T, Rodić M, Marinković A, Filipović NR. Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models. in Journal of Coordination Chemistry. 2016;69(22):3354-3366.
doi:10.1080/00958972.2016.1232404
Kon_3066 .
Elshaflu, Hana, Bjelogrlić, Snežana K., Muller, Christian D., Todorović, Tamara, Rodić, Marko, Marinković, Aleksandar, Filipović, Nenad R., "Co(III) complex with (E)-2-(2-(pyridine-2-ylmethylene)hydrazinyl)-4-(4-tolyl)-1,3-thiazole: structure and activity against 2-D and 3-D cancer cell models" in Journal of Coordination Chemistry, 69, no. 22 (2016):3354-3366,
https://doi.org/10.1080/00958972.2016.1232404 .,
Kon_3066 .
9
10
10

Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f

Filipović, Nenad R.; Bjelogrlić, Snežana K.; Marinković, Aleksandar; Verbić, Tatjana; Cvijetić, Ilija; Senčanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara; Muller, Christian D.

(Royal Soc Chemistry, Cambridge, 2015)

TY  - DATA
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Marinković, Aleksandar
AU  - Verbić, Tatjana
AU  - Cvijetić, Ilija
AU  - Senčanski, Milan
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Sladić, Dušan
AU  - Striković, Zlatko
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2015
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3461
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f
ER  - 
@misc{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Marinković, Aleksandar and Verbić, Tatjana and Cvijetić, Ilija and Senčanski, Milan and Rodić, Marko and Vujčić, Miroslava and Sladić, Dušan and Striković, Zlatko and Todorović, Tamara and Muller, Christian D.",
year = "2015",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f"
}
Filipović, N. R., Bjelogrlić, S. K., Marinković, A., Verbić, T., Cvijetić, I., Senčanski, M., Rodić, M., Vujčić, M., Sladić, D., Striković, Z., Todorović, T.,& Muller, C. D.. (2015). Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f. in RSC Advances
Royal Soc Chemistry, Cambridge..
Filipović NR, Bjelogrlić SK, Marinković A, Verbić T, Cvijetić I, Senčanski M, Rodić M, Vujčić M, Sladić D, Striković Z, Todorović T, Muller CD. Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f. in RSC Advances. 2015;..
Filipović, Nenad R., Bjelogrlić, Snežana K., Marinković, Aleksandar, Verbić, Tatjana, Cvijetić, Ilija, Senčanski, Milan, Rodić, Marko, Vujčić, Miroslava, Sladić, Dušan, Striković, Zlatko, Todorović, Tamara, Muller, Christian D., "Supplementary data for article: Filipović, N. R.; Bjelogrlić, S. K.; Marinković, A.; Verbić, T.; Cvijetić, I.; Sencanski, M.; Rodić, M.; Vujčić, M.; Sladić, D.; Strikovic, Z.; et al. Zn(II) Complex with 2-Quinolinecarboxaldehyde Selenosemicarbazone: Synthesis, Structure, Interaction Studies with DNA/HSA, Molecular Docking and Caspase-8 and-9 Independent Apoptose Induction. RSC Advances 2015, 5 (115), 95191–95211. https://doi.org/10.1039/c5ra19849f" in RSC Advances (2015).

Supplementary data for article: Matijević, B. M.; Vaštag, T. T.; Apostolov, S. L.; Milčić, M. K.; Marinković, A. D.; Petrović, S. D. N-(Substituted Phenyl)-2-Chloroacetamides: LSER and LFER Study, 2015. https://doi.org/10.1016/j.arabjc.2015.09.008

Matijević, Borko M.; Vaštag, Đenđi Đ.; Apostolov, Suzana L.; Milčić, Miloš K.; Marinković, Aleksandar; Petrović, Slobodan D.

(2015)

TY  - DATA
AU  - Matijević, Borko M.
AU  - Vaštag, Đenđi Đ.
AU  - Apostolov, Suzana L.
AU  - Milčić, Miloš K.
AU  - Marinković, Aleksandar
AU  - Petrović, Slobodan D.
PY  - 2015
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3386
T2  - Arabian Journal of Chemistry
T1  - Supplementary data for article: Matijević, B. M.; Vaštag, T. T.; Apostolov, S. L.; Milčić, M. K.; Marinković, A. D.; Petrović, S. D. N-(Substituted Phenyl)-2-Chloroacetamides: LSER and LFER Study, 2015. https://doi.org/10.1016/j.arabjc.2015.09.008
ER  - 
@misc{
author = "Matijević, Borko M. and Vaštag, Đenđi Đ. and Apostolov, Suzana L. and Milčić, Miloš K. and Marinković, Aleksandar and Petrović, Slobodan D.",
year = "2015",
journal = "Arabian Journal of Chemistry",
title = "Supplementary data for article: Matijević, B. M.; Vaštag, T. T.; Apostolov, S. L.; Milčić, M. K.; Marinković, A. D.; Petrović, S. D. N-(Substituted Phenyl)-2-Chloroacetamides: LSER and LFER Study, 2015. https://doi.org/10.1016/j.arabjc.2015.09.008"
}
Matijević, B. M., Vaštag, Đ. Đ., Apostolov, S. L., Milčić, M. K., Marinković, A.,& Petrović, S. D.. (2015). Supplementary data for article: Matijević, B. M.; Vaštag, T. T.; Apostolov, S. L.; Milčić, M. K.; Marinković, A. D.; Petrović, S. D. N-(Substituted Phenyl)-2-Chloroacetamides: LSER and LFER Study, 2015. https://doi.org/10.1016/j.arabjc.2015.09.008. in Arabian Journal of Chemistry.
Matijević BM, Vaštag ĐĐ, Apostolov SL, Milčić MK, Marinković A, Petrović SD. Supplementary data for article: Matijević, B. M.; Vaštag, T. T.; Apostolov, S. L.; Milčić, M. K.; Marinković, A. D.; Petrović, S. D. N-(Substituted Phenyl)-2-Chloroacetamides: LSER and LFER Study, 2015. https://doi.org/10.1016/j.arabjc.2015.09.008. in Arabian Journal of Chemistry. 2015;..
Matijević, Borko M., Vaštag, Đenđi Đ., Apostolov, Suzana L., Milčić, Miloš K., Marinković, Aleksandar, Petrović, Slobodan D., "Supplementary data for article: Matijević, B. M.; Vaštag, T. T.; Apostolov, S. L.; Milčić, M. K.; Marinković, A. D.; Petrović, S. D. N-(Substituted Phenyl)-2-Chloroacetamides: LSER and LFER Study, 2015. https://doi.org/10.1016/j.arabjc.2015.09.008" in Arabian Journal of Chemistry (2015).

Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055

Ajaj, Ismail A.; Markovski, Jasmina; Rančić, Milica; Mijin, Dušan; Milčić, Miloš K.; Jovanović, Maja; Marinković, Aleksandar

(Pergamon-Elsevier Science Ltd, Oxford, 2015)

TY  - DATA
AU  - Ajaj, Ismail A.
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Mijin, Dušan
AU  - Milčić, Miloš K.
AU  - Jovanović, Maja
AU  - Marinković, Aleksandar
PY  - 2015
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/3421
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055
ER  - 
@misc{
author = "Ajaj, Ismail A. and Markovski, Jasmina and Rančić, Milica and Mijin, Dušan and Milčić, Miloš K. and Jovanović, Maja and Marinković, Aleksandar",
year = "2015",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055"
}
Ajaj, I. A., Markovski, J., Rančić, M., Mijin, D., Milčić, M. K., Jovanović, M.,& Marinković, A.. (2015). Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford..
Ajaj IA, Markovski J, Rančić M, Mijin D, Milčić MK, Jovanović M, Marinković A. Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2015;..
Ajaj, Ismail A., Markovski, Jasmina, Rančić, Milica, Mijin, Dušan, Milčić, Miloš K., Jovanović, Maja, Marinković, Aleksandar, "Supplementary data for article: Ajaj, I.; Markovski, J.; Rančić, M.; Mijin, D.; Milčić, 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. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2015, 150, 575–585. https://doi.org/10.1016/j.saa.2015.05.055" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy (2015).

Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction

Filipović, Nenad R.; Bjelogrlić, Snežana K.; Marinković, Aleksandar; Verbić, Tatjana; Cvijetić, Ilija; Senčanski, Milan; Rodić, Marko; Vujčić, Miroslava; Sladić, Dušan; Striković, Zlatko; Todorović, Tamara; Muller, Christian D.

(Royal Soc Chemistry, Cambridge, 2015)

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Marinković, Aleksandar
AU  - Verbić, Tatjana
AU  - Cvijetić, Ilija
AU  - Senčanski, Milan
AU  - Rodić, Marko
AU  - Vujčić, Miroslava
AU  - Sladić, Dušan
AU  - Striković, Zlatko
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2015
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1960
AB  - A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists of a cation [Zn(Hqasesc)(2)](2+), two perchlorate anions and one ethanol solvent molecule. The interaction of calf thymus (CT) DNA and human serum albumin (HSA) with the Zn(II) complex was explored using absorption and emission spectral methods, and also has been supported by molecular docking studies. The complex has more affinity to minor DNA groove than major, with no significant intercalation. The HSA interaction studies of the complex revealed the quenching of the intrinsic fluorescence of the HSA through a static quenching mechanism. The antitumor activity of the ligand and the complex against pancreatic adenocarcinoma cell line (AsPC-1) and acute monocytic leukemia (THP-1) cells was evaluated. Both compounds are strong concentration-dependent apoptosis inducers in THP-1 cells. While Hqasesc in AsPC-1 cells induces apoptosis only at the highest concentration, treatment with the Zn complex shows a concentration-dependent apoptotic response, where the treated cells are arrested in the G1-to-S phase accompanied with extensive activation of caspase-8 and -9. These results indicate that the ligand and Zn(II) complex display cell phenotype specific activity.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction
VL  - 5
IS  - 115
SP  - 95191
EP  - 95211
DO  - 10.1039/c5ra19849f
UR  - Kon_2915
ER  - 
@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Marinković, Aleksandar and Verbić, Tatjana and Cvijetić, Ilija and Senčanski, Milan and Rodić, Marko and Vujčić, Miroslava and Sladić, Dušan and Striković, Zlatko and Todorović, Tamara and Muller, Christian D.",
year = "2015",
abstract = "A new Zn(II)-based potential chemotherapeutic agent was synthesized from the ligand 2-quinolinecarboxaldehyde selenosemicarbazone (Hqasesc). Single crystal X-ray diffraction analysis showed that the Zn(II) complex consists of a cation [Zn(Hqasesc)(2)](2+), two perchlorate anions and one ethanol solvent molecule. The interaction of calf thymus (CT) DNA and human serum albumin (HSA) with the Zn(II) complex was explored using absorption and emission spectral methods, and also has been supported by molecular docking studies. The complex has more affinity to minor DNA groove than major, with no significant intercalation. The HSA interaction studies of the complex revealed the quenching of the intrinsic fluorescence of the HSA through a static quenching mechanism. The antitumor activity of the ligand and the complex against pancreatic adenocarcinoma cell line (AsPC-1) and acute monocytic leukemia (THP-1) cells was evaluated. Both compounds are strong concentration-dependent apoptosis inducers in THP-1 cells. While Hqasesc in AsPC-1 cells induces apoptosis only at the highest concentration, treatment with the Zn complex shows a concentration-dependent apoptotic response, where the treated cells are arrested in the G1-to-S phase accompanied with extensive activation of caspase-8 and -9. These results indicate that the ligand and Zn(II) complex display cell phenotype specific activity.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction",
volume = "5",
number = "115",
pages = "95191-95211",
doi = "10.1039/c5ra19849f",
url = "Kon_2915"
}
Filipović, N. R., Bjelogrlić, S. K., Marinković, A., Verbić, T., Cvijetić, I., Senčanski, M., Rodić, M., Vujčić, M., Sladić, D., Striković, Z., Todorović, T.,& Muller, C. D.. (2015). Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction. in RSC Advances
Royal Soc Chemistry, Cambridge., 5(115), 95191-95211.
https://doi.org/10.1039/c5ra19849f
Kon_2915
Filipović NR, Bjelogrlić SK, Marinković A, Verbić T, Cvijetić I, Senčanski M, Rodić M, Vujčić M, Sladić D, Striković Z, Todorović T, Muller CD. Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction. in RSC Advances. 2015;5(115):95191-95211.
doi:10.1039/c5ra19849f
Kon_2915 .
Filipović, Nenad R., Bjelogrlić, Snežana K., Marinković, Aleksandar, Verbić, Tatjana, Cvijetić, Ilija, Senčanski, Milan, Rodić, Marko, Vujčić, Miroslava, Sladić, Dušan, Striković, Zlatko, Todorović, Tamara, Muller, Christian D., "Zn(II) complex with 2-quinolinecarboxaldehyde selenosemicarbazone: synthesis, structure, interaction studies with DNA/HSA, molecular docking and caspase-8 and-9 independent apoptose induction" in RSC Advances, 5, no. 115 (2015):95191-95211,
https://doi.org/10.1039/c5ra19849f .,
Kon_2915 .
24
25
26

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

Ajaj, Ismail A.; Markovski, Jasmina; Rančić, Milica; Mijin, Dušan; Milčić, Miloš K.; Jovanović, Maja; Marinković, Aleksandar

(Pergamon-Elsevier Science Ltd, Oxford, 2015)

TY  - JOUR
AU  - Ajaj, Ismail A.
AU  - Markovski, Jasmina
AU  - Rančić, Milica
AU  - Mijin, Dušan
AU  - Milčić, Miloš K.
AU  - Jovanović, Maja
AU  - Marinković, Aleksandar
PY  - 2015
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/1971
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.
PB  - Pergamon-Elsevier Science Ltd, Oxford
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
VL  - 150
SP  - 575
EP  - 585
DO  - 10.1016/j.saa.2015.05.055
UR  - Kon_2926
ER  - 
@article{
author = "Ajaj, Ismail A. and Markovski, Jasmina and Rančić, Milica and Mijin, Dušan and Milčić, Miloš K. 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.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
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",
volume = "150",
pages = "575-585",
doi = "10.1016/j.saa.2015.05.055",
url = "Kon_2926"
}
Ajaj, I. A., Markovski, J., Rančić, M., Mijin, D., Milčić, M. K., 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
Pergamon-Elsevier Science Ltd, Oxford., 150, 575-585.
https://doi.org/10.1016/j.saa.2015.05.055
Kon_2926
Ajaj IA, Markovski J, Rančić M, Mijin D, Milčić MK, 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
Kon_2926 .
Ajaj, Ismail A., Markovski, Jasmina, Rančić, Milica, Mijin, Dušan, Milčić, Miloš K., 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 .,
Kon_2926 .
2
3
3