Božić, Aleksandra R.

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  • Božić, Aleksandra R. (16)
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Author's Bibliography

Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile

Assaleh, Mohamed H.; Bjelogrlić, Snežana K.; Prlainović, Nevena; Cvijetić, Ilija; Božić, Aleksandra R.; Aranđelović, Irena; Vuković, Dragana; Marinković, Aleksandar

(Elsevier, 2022)

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Bjelogrlić, Snežana K.
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Božić, Aleksandra R.
AU  - Aranđelović, Irena
AU  - Vuković, Dragana
AU  - Marinković, Aleksandar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4867
AB  - A series of twelve novel hybrids of cinnamic acid and thiocarbohydrazones were designed, synthesized in high yield using a simple coupling strategy via acid chlorides, and evaluated for their impact against Mycobacterium tuberculosis (Mtb) and cancer cells survival. Among them, compound 3 demonstrated strong anti-Mtb activity by reducing bacilli survival for>90 % in all three treated Mtb isolates, whereas isoniazid and rifampicin did not. Moreover, compound 3 didn’t affect vitality of HepG-2 cells, implying on advantageous hepatotoxicity profile compared to current therapeutic options for tuberculosis. Compounds 2a and 3b displayed as strong inducers of apoptosis in A549 cells, both activating intrinsic caspase pathway and cell cycle arrest at the G0/G1 phase. Subsequent analyses disclosed differences in their activities, where 3b has ability to induce production of mitochondrial superoxide anions, while 2a significantly inhibited cellular mobility. More importantly, 3b considerably affected viability of HepG-2 and HaCaT cells, whereas 2a had moderate impact only on the later. Molecular modeling studies indicated high permeability and good absorption through the human intestine, and moderate aqueous solubility with poor blood–brain barrier permeability. In summary, our results reveal that novel compounds 3 and 2a represent promising agents for tuberculosis and cancer treatment, respectively, indicating that further investigation needs to be performed to clarify the mechanisms of their anti-Mtb and anticancer activity.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile
VL  - 15
IS  - 1
SP  - 103532
DO  - 10.1016/j.arabjc.2021.103532
ER  - 
@article{
author = "Assaleh, Mohamed H. and Bjelogrlić, Snežana K. and Prlainović, Nevena and Cvijetić, Ilija and Božić, Aleksandra R. and Aranđelović, Irena and Vuković, Dragana and Marinković, Aleksandar",
year = "2022",
abstract = "A series of twelve novel hybrids of cinnamic acid and thiocarbohydrazones were designed, synthesized in high yield using a simple coupling strategy via acid chlorides, and evaluated for their impact against Mycobacterium tuberculosis (Mtb) and cancer cells survival. Among them, compound 3 demonstrated strong anti-Mtb activity by reducing bacilli survival for>90 % in all three treated Mtb isolates, whereas isoniazid and rifampicin did not. Moreover, compound 3 didn’t affect vitality of HepG-2 cells, implying on advantageous hepatotoxicity profile compared to current therapeutic options for tuberculosis. Compounds 2a and 3b displayed as strong inducers of apoptosis in A549 cells, both activating intrinsic caspase pathway and cell cycle arrest at the G0/G1 phase. Subsequent analyses disclosed differences in their activities, where 3b has ability to induce production of mitochondrial superoxide anions, while 2a significantly inhibited cellular mobility. More importantly, 3b considerably affected viability of HepG-2 and HaCaT cells, whereas 2a had moderate impact only on the later. Molecular modeling studies indicated high permeability and good absorption through the human intestine, and moderate aqueous solubility with poor blood–brain barrier permeability. In summary, our results reveal that novel compounds 3 and 2a represent promising agents for tuberculosis and cancer treatment, respectively, indicating that further investigation needs to be performed to clarify the mechanisms of their anti-Mtb and anticancer activity.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile",
volume = "15",
number = "1",
pages = "103532",
doi = "10.1016/j.arabjc.2021.103532"
}
Assaleh, M. H., Bjelogrlić, S. K., Prlainović, N., Cvijetić, I., Božić, A. R., Aranđelović, I., Vuković, D.,& Marinković, A.. (2022). Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile. in Arabian Journal of Chemistry
Elsevier., 15(1), 103532.
https://doi.org/10.1016/j.arabjc.2021.103532
Assaleh MH, Bjelogrlić SK, Prlainović N, Cvijetić I, Božić AR, Aranđelović I, Vuković D, Marinković A. Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile. in Arabian Journal of Chemistry. 2022;15(1):103532.
doi:10.1016/j.arabjc.2021.103532 .
Assaleh, Mohamed H., Bjelogrlić, Snežana K., Prlainović, Nevena, Cvijetić, Ilija, Božić, Aleksandra R., Aranđelović, Irena, Vuković, Dragana, Marinković, Aleksandar, "Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile" in Arabian Journal of Chemistry, 15, no. 1 (2022):103532,
https://doi.org/10.1016/j.arabjc.2021.103532 . .
4
5
3

Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.

Assaleh, Mohamed H.; Bjelogrlić, Snežana K.; Prlainović, Nevena; Cvijetić, Ilija; Božić, Aleksandra R.; Aranđelović, Irena; Vuković, Dragana; Marinković, Aleksandar

(Elsevier, 2022)

TY  - DATA
AU  - Assaleh, Mohamed H.
AU  - Bjelogrlić, Snežana K.
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Božić, Aleksandra R.
AU  - Aranđelović, Irena
AU  - Vuković, Dragana
AU  - Marinković, Aleksandar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4868
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4868
ER  - 
@misc{
author = "Assaleh, Mohamed H. and Bjelogrlić, Snežana K. and Prlainović, Nevena and Cvijetić, Ilija and Božić, Aleksandra R. and Aranđelović, Irena and Vuković, Dragana and Marinković, Aleksandar",
year = "2022",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4868"
}
Assaleh, M. H., Bjelogrlić, S. K., Prlainović, N., Cvijetić, I., Božić, A. R., Aranđelović, I., Vuković, D.,& Marinković, A.. (2022). Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.. in Arabian Journal of Chemistry
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4868
Assaleh MH, Bjelogrlić SK, Prlainović N, Cvijetić I, Božić AR, Aranđelović I, Vuković D, Marinković A. Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.. in Arabian Journal of Chemistry. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_4868 .
Assaleh, Mohamed H., Bjelogrlić, Snežana K., Prlainović, Nevena, Cvijetić, Ilija, Božić, Aleksandra R., Aranđelović, Irena, Vuković, Dragana, Marinković, Aleksandar, "Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532." in Arabian Journal of Chemistry (2022),
https://hdl.handle.net/21.15107/rcub_cherry_4868 .

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  - https://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 . .
2
1
2
2

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  - https://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
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"
}
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
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 .
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 . .
7
3
5
6

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  - https://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 . .
10
3
10
8

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  - https://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
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3848
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",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3848"
}
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.
https://hdl.handle.net/21.15107/rcub_cherry_3848
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;.
https://hdl.handle.net/21.15107/rcub_cherry_3848 .
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),
https://hdl.handle.net/21.15107/rcub_cherry_3848 .

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  - https://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  - https://hdl.handle.net/21.15107/rcub_cherry_3103
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 = "https://hdl.handle.net/21.15107/rcub_cherry_3103"
}
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..
https://hdl.handle.net/21.15107/rcub_cherry_3103
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;.
https://hdl.handle.net/21.15107/rcub_cherry_3103 .
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),
https://hdl.handle.net/21.15107/rcub_cherry_3103 .

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  - https://cherry.chem.bg.ac.rs/handle/123456789/3196
AB  - The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base
VL  - 196
SP  - 16
EP  - 30
DO  - 10.1016/j.saa.2018.01.080
ER  - 
@article{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
abstract = "The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base",
volume = "196",
pages = "16-30",
doi = "10.1016/j.saa.2018.01.080"
}
Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z.. (2018). Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 196, 16-30.
https://doi.org/10.1016/j.saa.2018.01.080
Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;196:16-30.
doi:10.1016/j.saa.2018.01.080 .
Brkić, Dominik R., Božić, Aleksandra R., Marinković, Aleksandar, Milčić, Miloš K., Prlainović, Nevena Z., Assaleh, Fathi H., Cvijetić, Ilija, Nikolić, Jasmina B., Drmanić, Saga Z., "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 196 (2018):16-30,
https://doi.org/10.1016/j.saa.2018.01.080 . .
12
6
12
11

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  - https://cherry.chem.bg.ac.rs/handle/123456789/3197
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3197
ER  - 
@misc{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3197"
}
Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z.. (2018). Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford..
https://hdl.handle.net/21.15107/rcub_cherry_3197
Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;.
https://hdl.handle.net/21.15107/rcub_cherry_3197 .
Brkić, Dominik R., Božić, Aleksandra R., Marinković, Aleksandar, Milčić, Miloš K., Prlainović, Nevena Z., Assaleh, Fathi H., Cvijetić, Ilija, Nikolić, Jasmina B., Drmanić, Saga Z., "Supplementary material for the article: Brkić, D. R.; Božić, A. R.; Marinković, A. D.; Milčić, M. K.; Prlainović, N. Ž.; Assaleh, F. H.; Cvijetić, I. N.; Nikolić, J. B.; Drmanić, S. Ž. Detailed Solvent, Structural, Quantum Chemical Study and Antimicrobial Activity of Isatin Schiff Base. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2018, 196, 16–30. https://doi.org/10.1016/j.saa.2018.01.080" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy (2018),
https://hdl.handle.net/21.15107/rcub_cherry_3197 .

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

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  - https://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
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"
}
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
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 .
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 . .
1
16
6
16
11

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  - https://cherry.chem.bg.ac.rs/handle/123456789/2216
AB  - 15 symmetric 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides were synthesized in this work. Their structures were characterized using IR, H-1 and C-13 NMR, and UV-Vis spectroscopy. DFT calculations indicated that s-trans/s-trans conformation prevail in all compounds. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear solvation-free energy relationships (LSER), i.e., Kamlet-Taft and Catalan models. A linear free energy relationship (LFER) in the form of single substituent parameter equations (SSP) was used to postulate quantitative structure-property relations of substituent effect on NMR data. TD-DFT results showed dependence of electronic transition on the substituent effects. The push-pull character of these compounds was analyzed by differences in C-13 chemical shift of the ethylenic double bond in 2- and 6-positions of cross-conjugated with pyridinum central ring. Also, the quotient of the occupations for the bonding pi and anti-bonding pi* orbitals of this bond was considered. Good correlations of the selected parameter between double bond lengths with pi*/pi and C-13 chemical shift differences of the bridging group proved them to be adequate descriptor of push-pull character. Synthesized compounds were screened for the antioxidant activity, using 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical methods, and results demonstrated moderate antioxidant potential.
PB  - Springer, New York
T2  - Journal of the Iranian Chemical Society
T1  - Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides
VL  - 15
IS  - 11
SP  - 2483
EP  - 2501
DO  - 10.1007/s13738-018-1437-5
ER  - 
@article{
author = "Milošević, Milena D. and Prlainović, Nevena Z. and Milčić, Miloš K. and Nikolić, Vesna and Božić, Aleksandra R. and Bigović, Miljan and Marinković, Aleksandar",
year = "2018",
abstract = "15 symmetric 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides were synthesized in this work. Their structures were characterized using IR, H-1 and C-13 NMR, and UV-Vis spectroscopy. DFT calculations indicated that s-trans/s-trans conformation prevail in all compounds. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear solvation-free energy relationships (LSER), i.e., Kamlet-Taft and Catalan models. A linear free energy relationship (LFER) in the form of single substituent parameter equations (SSP) was used to postulate quantitative structure-property relations of substituent effect on NMR data. TD-DFT results showed dependence of electronic transition on the substituent effects. The push-pull character of these compounds was analyzed by differences in C-13 chemical shift of the ethylenic double bond in 2- and 6-positions of cross-conjugated with pyridinum central ring. Also, the quotient of the occupations for the bonding pi and anti-bonding pi* orbitals of this bond was considered. Good correlations of the selected parameter between double bond lengths with pi*/pi and C-13 chemical shift differences of the bridging group proved them to be adequate descriptor of push-pull character. Synthesized compounds were screened for the antioxidant activity, using 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical methods, and results demonstrated moderate antioxidant potential.",
publisher = "Springer, New York",
journal = "Journal of the Iranian Chemical Society",
title = "Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides",
volume = "15",
number = "11",
pages = "2483-2501",
doi = "10.1007/s13738-018-1437-5"
}
Milošević, M. D., Prlainović, N. Z., Milčić, M. K., Nikolić, V., Božić, A. R., Bigović, M.,& Marinković, A.. (2018). Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides. in Journal of the Iranian Chemical Society
Springer, New York., 15(11), 2483-2501.
https://doi.org/10.1007/s13738-018-1437-5
Milošević MD, Prlainović NZ, Milčić MK, Nikolić V, Božić AR, Bigović M, Marinković A. Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides. in Journal of the Iranian Chemical Society. 2018;15(11):2483-2501.
doi:10.1007/s13738-018-1437-5 .
Milošević, Milena D., Prlainović, Nevena Z., Milčić, Miloš K., Nikolić, Vesna, Božić, Aleksandra R., Bigović, Miljan, Marinković, Aleksandar, "Solvent, structural, quantum chemical study and antioxidative activity of symmetrical 1-methyl-2,6-bis[2-(substituted phenyl)ethenyl]pyridinium iodides" in Journal of the Iranian Chemical Society, 15, no. 11 (2018):2483-2501,
https://doi.org/10.1007/s13738-018-1437-5 . .
2
1
2
1

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  - https://cherry.chem.bg.ac.rs/handle/123456789/2121
AB  - The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
T1  - Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base
VL  - 196
SP  - 16
EP  - 30
DO  - 10.1016/j.saa.2018.01.080
ER  - 
@article{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš K. and Prlainović, Nevena Z. and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina B. and Drmanić, Saga Z.",
year = "2018",
abstract = "The ratios of E/Z isomers of sixteen synthesized 1,3-dihydro-3-(substituted phenylimino)-2H-indol-2-one were studied using experimental and theoretical methodology. Linear solvation energy relationships (LSER) rationalized solvent influence of the solvent-solute interactions on the UV-Vis absorption maxima shifts (v(max)) of both geometrical isomers using the Kamlet-Taft equation. Linear free energy relationships (LEER) in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on pK(a), NMR chemical shifts and v(max) values. Electron charge density was obtained by the use of Quantum Theory of Atoms in Molecules, i.e. Bader's analysis. The substituent and solvent effect on intramolecular charge transfer (ICT) were interpreted with the aid of time-dependent density functional (TD-DFT) method. Additionally, the results of TD-DFT calculations quantified the efficiency of ICT from the calculated charge-transfer distance (D-CT) and amount of transferred charge (Q(CT)). The antimicrobial activity was evaluated using broth microdilution method. 3D QSAR modeling was used to demonstrate the influence of substituents effect as well as molecule geometry on antimicrobial activity. (C) 2018 Elsevier B.V. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy",
title = "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base",
volume = "196",
pages = "16-30",
doi = "10.1016/j.saa.2018.01.080"
}
Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M. K., Prlainović, N. Z., Assaleh, F. H., Cvijetić, I., Nikolić, J. B.,& Drmanić, S. Z.. (2018). Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy
Pergamon-Elsevier Science Ltd, Oxford., 196, 16-30.
https://doi.org/10.1016/j.saa.2018.01.080
Brkić DR, Božić AR, Marinković A, Milčić MK, Prlainović NZ, Assaleh FH, Cvijetić I, Nikolić JB, Drmanić SZ. Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2018;196:16-30.
doi:10.1016/j.saa.2018.01.080 .
Brkić, Dominik R., Božić, Aleksandra R., Marinković, Aleksandar, Milčić, Miloš K., Prlainović, Nevena Z., Assaleh, Fathi H., Cvijetić, Ilija, Nikolić, Jasmina B., Drmanić, Saga Z., "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 196 (2018):16-30,
https://doi.org/10.1016/j.saa.2018.01.080 . .
12
6
13
11

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  - https://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
UR  - https://hdl.handle.net/21.15107/rcub_cherry_2968
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",
url = "https://hdl.handle.net/21.15107/rcub_cherry_2968"
}
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..
https://hdl.handle.net/21.15107/rcub_cherry_2968
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;.
https://hdl.handle.net/21.15107/rcub_cherry_2968 .
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),
https://hdl.handle.net/21.15107/rcub_cherry_2968 .

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  - https://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
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3604
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",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3604"
}
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..
https://hdl.handle.net/21.15107/rcub_cherry_3604
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;.
https://hdl.handle.net/21.15107/rcub_cherry_3604 .
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),
https://hdl.handle.net/21.15107/rcub_cherry_3604 .

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  - https://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
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"
}
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
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 .
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 . .
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