TY  - JOUR
AU  - Batinić, Petar
AU  - Jovanović, Aleksandra
AU  - Stojković, Dejan
AU  - Zengin, Gökhan
AU  - Cvijetić, Ilija
AU  - Gašić, Uroš
AU  - Čutović, Natalija
AU  - Pešić, Mirjana B.
AU  - Milinčić, Danijel D.
AU  - Carević, Tamara
AU  - Marinković, Aleksandar
AU  - Bugarski, Branko
AU  - Marković, Tatjana
PY  - 2024
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7457
AB  - Without being aware of their chemical composition, many cultures have used herbaceous peony roots for medicinal purposes. Modern phytopreparations intended for use in human therapy require specific knowledge about the chemistry of peony roots and their biological activities. In this study, ethanol–water extracts were prepared by maceration and microwave- and ultrasound-assisted extractions (MAE and UAE, respectively) in order to obtain bioactive molecules from the roots of Paeonia tenuifolia L., Paeonia peregrina Mill., and Paeonia officinalis L. wild growing in Serbia. Chemical characterization; polyphenol and flavonoid content; antioxidant, multianti-enzymatic, and antibacterial activities of extracts; and in vitro gastrointestinal digestion (GID) of hot water extracts were performed. The strongest anti-cholinesterase activity was observed in PT extracts. The highest anti-ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) radical potential was observed in PP extracts, whereas against DPPH (2,2-diphenyl-1-picrylhydrazyl radicals), the best results were achieved with PO extracts. Regarding antibacterial activity, extracts were strongly potent against Bacillus cereus. A molecular docking simulation was conducted to gather insights into the binding affinity and interactions of polyphenols and other Paeonia-specific molecules in the active sites of tested enzymes. In vitro GID of Paeonia teas showed a different recovery and behavior of the individual bioactives, with an increased recovery of methyl gallate and digallate and a decreased recovery of paeoniflorin and its derivatives. PT (Gulenovci) and PP (Pirot) extracts obtained by UAE and M were more efficient in the majority of the bioactivity assays. This study represents an initial step toward the possible application of Paeonia root extracts in pharmacy, medicine, and food technologies.
PB  - MDPI
T2  - Pharmaceuticals
T1  - Phytochemical Analysis, Biological Activities, and Molecular Docking Studies of Root Extracts from Paeonia Species in Serbia
IS  - 4
SP  - 518
VL  - 17
DO  - 10.3390/ph17040518
ER  - 

@article{
author = "Batinić, Petar and Jovanović, Aleksandra and Stojković, Dejan and Zengin, Gökhan and Cvijetić, Ilija and Gašić, Uroš and Čutović, Natalija and Pešić, Mirjana B. and Milinčić, Danijel D. and Carević, Tamara and Marinković, Aleksandar and Bugarski, Branko and Marković, Tatjana",
year = "2024",
abstract = "Without being aware of their chemical composition, many cultures have used herbaceous peony roots for medicinal purposes. Modern phytopreparations intended for use in human therapy require specific knowledge about the chemistry of peony roots and their biological activities. In this study, ethanol–water extracts were prepared by maceration and microwave- and ultrasound-assisted extractions (MAE and UAE, respectively) in order to obtain bioactive molecules from the roots of Paeonia tenuifolia L., Paeonia peregrina Mill., and Paeonia officinalis L. wild growing in Serbia. Chemical characterization; polyphenol and flavonoid content; antioxidant, multianti-enzymatic, and antibacterial activities of extracts; and in vitro gastrointestinal digestion (GID) of hot water extracts were performed. The strongest anti-cholinesterase activity was observed in PT extracts. The highest anti-ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) radical potential was observed in PP extracts, whereas against DPPH (2,2-diphenyl-1-picrylhydrazyl radicals), the best results were achieved with PO extracts. Regarding antibacterial activity, extracts were strongly potent against Bacillus cereus. A molecular docking simulation was conducted to gather insights into the binding affinity and interactions of polyphenols and other Paeonia-specific molecules in the active sites of tested enzymes. In vitro GID of Paeonia teas showed a different recovery and behavior of the individual bioactives, with an increased recovery of methyl gallate and digallate and a decreased recovery of paeoniflorin and its derivatives. PT (Gulenovci) and PP (Pirot) extracts obtained by UAE and M were more efficient in the majority of the bioactivity assays. This study represents an initial step toward the possible application of Paeonia root extracts in pharmacy, medicine, and food technologies.",
publisher = "MDPI",
journal = "Pharmaceuticals",
title = "Phytochemical Analysis, Biological Activities, and Molecular Docking Studies of Root Extracts from Paeonia Species in Serbia",
number = "4",
pages = "518",
volume = "17",
doi = "10.3390/ph17040518"
}

Batinić, P., Jovanović, A., Stojković, D., Zengin, G., Cvijetić, I., Gašić, U., Čutović, N., Pešić, M. B., Milinčić, D. D., Carević, T., Marinković, A., Bugarski, B.,& Marković, T.. (2024). Phytochemical Analysis, Biological Activities, and Molecular Docking Studies of Root Extracts from Paeonia Species in Serbia. in Pharmaceuticals
MDPI., 17(4), 518.
https://doi.org/10.3390/ph17040518

Batinić P, Jovanović A, Stojković D, Zengin G, Cvijetić I, Gašić U, Čutović N, Pešić MB, Milinčić DD, Carević T, Marinković A, Bugarski B, Marković T. Phytochemical Analysis, Biological Activities, and Molecular Docking Studies of Root Extracts from Paeonia Species in Serbia. in Pharmaceuticals. 2024;17(4):518.
doi:10.3390/ph17040518 .

Batinić, Petar, Jovanović, Aleksandra, Stojković, Dejan, Zengin, Gökhan, Cvijetić, Ilija, Gašić, Uroš, Čutović, Natalija, Pešić, Mirjana B., Milinčić, Danijel D., Carević, Tamara, Marinković, Aleksandar, Bugarski, Branko, Marković, Tatjana, "Phytochemical Analysis, Biological Activities, and Molecular Docking Studies of Root Extracts from Paeonia Species in Serbia" in Pharmaceuticals, 17, no. 4 (2024):518,
https://doi.org/10.3390/ph17040518 . .

TY  - JOUR
AU  - Jovanović, Aleksandar
AU  - Stevanović, Marija
AU  - Barudžija, Tanja
AU  - Cvijetić, Ilija
AU  - Lazarević, Slavica
AU  - Tomašević, Anđelka
AU  - Marinković, Aleksandar
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6611
AB  - This study focuses on establishing an efficient two-step technology, which includes: (1) consecutive adsorption-desorption, using cellulose-based membranes, bCells, and (2) photocatalytic degradation of the fungicide thiophanate-methyl (TPM), using synthesized Ag-P25 and Ce-P25 catalysts. The catalysts, obtained by controlled deposition of Ag2O/Ag and CeO2 onto P25 TiO2 carrier (Degussa), were characterized using ATR-FTIR, XRPD, BET, FESEM, HRTEM, HAADF-EDS and UV–DRS techniques. In order to establish a feasible purification technology, preconcentration of TPM was performed by adsorption, achieving 75.5 and 92.9 mg/g of TPM removal using bCell-EpL and bCell–EpL–TA membranes, respectively, followed by efficient desorption (> 95%) that provided acceptable TPM concentration for photodegradation experiments. Under optimal conditions (0.07 g/L of both catalysts), complete degradation of TPM (5 mg/L) occurred within 2 h, compared to 4 h for the base TiO2 P25. Measurements of quantum yield and the results of HPLC-MS analysis, alongside DFT calculation, assisted in understanding the TPM degradation pathways. New degradation products were detected and proposed from HPLC–MS analysis. Embryotoxic assays, performed on zebrafish (Danio rerio), applied to estimate the toxicity evolution of time-dependent generated TPM degradation products, showed low embryotoxic potential. Chemical oxygen demand (26 mg O2/L) confirmed low ecotoxicological pressure of effluent water.
PB  - Institution of Chemical Engineers
T2  - Process Safety and Environmental Protection
T1  - Advanced technology for photocatalytic degradation of thiophanate-methyl: Degradation pathways, DFT calculations and embryotoxic potential
EP  - 443
SP  - 423
VL  - 178
DO  - 10.1016/j.psep.2023.08.054
ER  - 

@article{
author = "Jovanović, Aleksandar and Stevanović, Marija and Barudžija, Tanja and Cvijetić, Ilija and Lazarević, Slavica and Tomašević, Anđelka and Marinković, Aleksandar",
year = "2023",
abstract = "This study focuses on establishing an efficient two-step technology, which includes: (1) consecutive adsorption-desorption, using cellulose-based membranes, bCells, and (2) photocatalytic degradation of the fungicide thiophanate-methyl (TPM), using synthesized Ag-P25 and Ce-P25 catalysts. The catalysts, obtained by controlled deposition of Ag2O/Ag and CeO2 onto P25 TiO2 carrier (Degussa), were characterized using ATR-FTIR, XRPD, BET, FESEM, HRTEM, HAADF-EDS and UV–DRS techniques. In order to establish a feasible purification technology, preconcentration of TPM was performed by adsorption, achieving 75.5 and 92.9 mg/g of TPM removal using bCell-EpL and bCell–EpL–TA membranes, respectively, followed by efficient desorption (> 95%) that provided acceptable TPM concentration for photodegradation experiments. Under optimal conditions (0.07 g/L of both catalysts), complete degradation of TPM (5 mg/L) occurred within 2 h, compared to 4 h for the base TiO2 P25. Measurements of quantum yield and the results of HPLC-MS analysis, alongside DFT calculation, assisted in understanding the TPM degradation pathways. New degradation products were detected and proposed from HPLC–MS analysis. Embryotoxic assays, performed on zebrafish (Danio rerio), applied to estimate the toxicity evolution of time-dependent generated TPM degradation products, showed low embryotoxic potential. Chemical oxygen demand (26 mg O2/L) confirmed low ecotoxicological pressure of effluent water.",
publisher = "Institution of Chemical Engineers",
journal = "Process Safety and Environmental Protection",
title = "Advanced technology for photocatalytic degradation of thiophanate-methyl: Degradation pathways, DFT calculations and embryotoxic potential",
pages = "443-423",
volume = "178",
doi = "10.1016/j.psep.2023.08.054"
}

Jovanović, A., Stevanović, M., Barudžija, T., Cvijetić, I., Lazarević, S., Tomašević, A.,& Marinković, A.. (2023). Advanced technology for photocatalytic degradation of thiophanate-methyl: Degradation pathways, DFT calculations and embryotoxic potential. in Process Safety and Environmental Protection
Institution of Chemical Engineers., 178, 423-443.
https://doi.org/10.1016/j.psep.2023.08.054

Jovanović A, Stevanović M, Barudžija T, Cvijetić I, Lazarević S, Tomašević A, Marinković A. Advanced technology for photocatalytic degradation of thiophanate-methyl: Degradation pathways, DFT calculations and embryotoxic potential. in Process Safety and Environmental Protection. 2023;178:423-443.
doi:10.1016/j.psep.2023.08.054 .

Jovanović, Aleksandar, Stevanović, Marija, Barudžija, Tanja, Cvijetić, Ilija, Lazarević, Slavica, Tomašević, Anđelka, Marinković, Aleksandar, "Advanced technology for photocatalytic degradation of thiophanate-methyl: Degradation pathways, DFT calculations and embryotoxic potential" in Process Safety and Environmental Protection, 178 (2023):423-443,
https://doi.org/10.1016/j.psep.2023.08.054 . .

TY  - JOUR
AU  - Salih, Rabab
AU  - Veličković, Zlate
AU  - Milošević, Milena
AU  - Pavlović, Vera P.
AU  - Cvijetić, Ilija
AU  - Sofrenić, Ivana V.
AU  - Gržetić, Jelena D.
AU  - Marinković, Aleksandar
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5275
AB  - Multifunctional lignin bio-based adsorbent, b-LMS, was obtained via inverse copolymerization in the suspension of acryloyl modified kraft lignin (KfL-AA) and bio-based trimethylolpropane triacrylate (bio-TMPTA). Morphological and structural characterization of KfL-AA and b-LMS was performed using BET, FTIR, Raman, NMR, TGA, SEM, and XPS techniques. The b-LMS microspheres with 253 ± 42 μm diameters, 69.4 m2 g−1 surface area, and 59% porosity efficiently adsorb Malachite Green (MG), Tartrazine (T), and Methyl Red (MR) dye. The influence of pH, pollutant concentration, temperature, and time on the removal efficiency was studied in a batch mode. Favorable and spontaneous processes with high adsorption capacities e.g. 116.8 mg g−1 for MG, 86.8 mg g−1 for T, and 68.6 mg g−1 for MR indicate the significant adsorptive potential of b-LMS. Results from diffusional and single mass transfer resistance studies indicate that pore diffusion is a rate-limiting step. Theoretical calculations confirmed a higher affinity of b-LMS to cationic dye MG compared with an anionic and neutral one, i.e. T and MR, respectively. The data fitting from a flow system, using semi-empirical equations and Pore Surface Diffusion Modelling (PSDM) provided breakthrough point determination. The results from the desorption and competitive adsorption study proved the exceptional performance of b-LMS. Moreover, sulfation of b-LMS, i.e.production of b-LMS-OSO3H, introduced high-affinity sulfate groups with respect to cationic dye and cations. Developed methodology implements the principle of sustainable development and offers concept whose results contribute to the minimization of environmental pollution.
PB  - Academic Press
T2  - Journal of Environmental Management
T1  - Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study
SP  - 116838
VL  - 326
DO  - 10.1016/j.jenvman.2022.116838
ER  - 

@article{
author = "Salih, Rabab and Veličković, Zlate and Milošević, Milena and Pavlović, Vera P. and Cvijetić, Ilija and Sofrenić, Ivana V. and Gržetić, Jelena D. and Marinković, Aleksandar",
year = "2023",
abstract = "Multifunctional lignin bio-based adsorbent, b-LMS, was obtained via inverse copolymerization in the suspension of acryloyl modified kraft lignin (KfL-AA) and bio-based trimethylolpropane triacrylate (bio-TMPTA). Morphological and structural characterization of KfL-AA and b-LMS was performed using BET, FTIR, Raman, NMR, TGA, SEM, and XPS techniques. The b-LMS microspheres with 253 ± 42 μm diameters, 69.4 m2 g−1 surface area, and 59% porosity efficiently adsorb Malachite Green (MG), Tartrazine (T), and Methyl Red (MR) dye. The influence of pH, pollutant concentration, temperature, and time on the removal efficiency was studied in a batch mode. Favorable and spontaneous processes with high adsorption capacities e.g. 116.8 mg g−1 for MG, 86.8 mg g−1 for T, and 68.6 mg g−1 for MR indicate the significant adsorptive potential of b-LMS. Results from diffusional and single mass transfer resistance studies indicate that pore diffusion is a rate-limiting step. Theoretical calculations confirmed a higher affinity of b-LMS to cationic dye MG compared with an anionic and neutral one, i.e. T and MR, respectively. The data fitting from a flow system, using semi-empirical equations and Pore Surface Diffusion Modelling (PSDM) provided breakthrough point determination. The results from the desorption and competitive adsorption study proved the exceptional performance of b-LMS. Moreover, sulfation of b-LMS, i.e.production of b-LMS-OSO3H, introduced high-affinity sulfate groups with respect to cationic dye and cations. Developed methodology implements the principle of sustainable development and offers concept whose results contribute to the minimization of environmental pollution.",
publisher = "Academic Press",
journal = "Journal of Environmental Management",
title = "Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study",
pages = "116838",
volume = "326",
doi = "10.1016/j.jenvman.2022.116838"
}

Salih, R., Veličković, Z., Milošević, M., Pavlović, V. P., Cvijetić, I., Sofrenić, I. V., Gržetić, J. D.,& Marinković, A.. (2023). Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study. in Journal of Environmental Management
Academic Press., 326, 116838.
https://doi.org/10.1016/j.jenvman.2022.116838

Salih R, Veličković Z, Milošević M, Pavlović VP, Cvijetić I, Sofrenić IV, Gržetić JD, Marinković A. Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study. in Journal of Environmental Management. 2023;326:116838.
doi:10.1016/j.jenvman.2022.116838 .

Salih, Rabab, Veličković, Zlate, Milošević, Milena, Pavlović, Vera P., Cvijetić, Ilija, Sofrenić, Ivana V., Gržetić, Jelena D., Marinković, Aleksandar, "Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study" in Journal of Environmental Management, 326 (2023):116838,
https://doi.org/10.1016/j.jenvman.2022.116838 . .

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Jeremić, Sanja
AU  - Cvijetić, Ilija
AU  - Marinković, Aleksandar
AU  - Prlainović, Nevena
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5111
AB  - Antimicrobial-resistance (AMR) has become the greatest concern and highly challenging issue when treating nosocomial infections. The exigency to develop new potent compounds continues to increase worldwide, whereby derivatives of natural products are becoming more attractive. In the present paper, the microbiological assessment of a series of 12 cinnamide hydrazides, four of them completely novel, against clinically relevant pathogens has discovered several derivatives with promising in vitro activities against Acinetobacter baumannii, one of the most dreaded opportunistic pathogens in hospitals. The compounds were synthesized by combining one of three different natural acids (cinnamic, 4-chloro or 4-methoxy) with four monothiocarbohydrazones (MTCHs) - an important class of synthetic organic molecules. Their structure was confirmed by elemental microanalysis, as well as ATR-FTIR, 1H and 13C NMR spectra, with the addition of 2D NMR spectra for novel compounds. The hybrids of cinnamic acids and pyridine derivatives are particularly active compounds with the lowest MIC50 value of 10.4 µM for p-chloro cinnamic acid and acetyl pyridine derivatives. An alignment-independent 3D QSAR model identified pharmacophoric hotspots and suggested several structural modifications that might improve the potency of this class of compounds against A. baumannii. The compounds are strong iron-chelating agents forming complexes with a stability constant between 107 and 109. The synthesized derivatives represent a promising class of antibacterial compounds with activities comparable to the commonly used antibiotics.
PB  - Elsevier B.V.
T2  - Journal of Molecular Structure
T1  - In vitro activity of novel cinnamic acids hydrazides against clinically important pathogens
SP  - 133016
VL  - 1262
DO  - 10.1016/j.molstruc.2022.133016
ER  - 

@article{
author = "Assaleh, Mohamed H. and Jeremić, Sanja and Cvijetić, Ilija and Marinković, Aleksandar and Prlainović, Nevena",
year = "2022",
abstract = "Antimicrobial-resistance (AMR) has become the greatest concern and highly challenging issue when treating nosocomial infections. The exigency to develop new potent compounds continues to increase worldwide, whereby derivatives of natural products are becoming more attractive. In the present paper, the microbiological assessment of a series of 12 cinnamide hydrazides, four of them completely novel, against clinically relevant pathogens has discovered several derivatives with promising in vitro activities against Acinetobacter baumannii, one of the most dreaded opportunistic pathogens in hospitals. The compounds were synthesized by combining one of three different natural acids (cinnamic, 4-chloro or 4-methoxy) with four monothiocarbohydrazones (MTCHs) - an important class of synthetic organic molecules. Their structure was confirmed by elemental microanalysis, as well as ATR-FTIR, 1H and 13C NMR spectra, with the addition of 2D NMR spectra for novel compounds. The hybrids of cinnamic acids and pyridine derivatives are particularly active compounds with the lowest MIC50 value of 10.4 µM for p-chloro cinnamic acid and acetyl pyridine derivatives. An alignment-independent 3D QSAR model identified pharmacophoric hotspots and suggested several structural modifications that might improve the potency of this class of compounds against A. baumannii. The compounds are strong iron-chelating agents forming complexes with a stability constant between 107 and 109. The synthesized derivatives represent a promising class of antibacterial compounds with activities comparable to the commonly used antibiotics.",
publisher = "Elsevier B.V.",
journal = "Journal of Molecular Structure",
title = "In vitro activity of novel cinnamic acids hydrazides against clinically important pathogens",
pages = "133016",
volume = "1262",
doi = "10.1016/j.molstruc.2022.133016"
}

Assaleh, M. H., Jeremić, S., Cvijetić, I., Marinković, A.,& Prlainović, N.. (2022). In vitro activity of novel cinnamic acids hydrazides against clinically important pathogens. in Journal of Molecular Structure
Elsevier B.V.., 1262, 133016.
https://doi.org/10.1016/j.molstruc.2022.133016

Assaleh MH, Jeremić S, Cvijetić I, Marinković A, Prlainović N. In vitro activity of novel cinnamic acids hydrazides against clinically important pathogens. in Journal of Molecular Structure. 2022;1262:133016.
doi:10.1016/j.molstruc.2022.133016 .

Assaleh, Mohamed H., Jeremić, Sanja, Cvijetić, Ilija, Marinković, Aleksandar, Prlainović, Nevena, "In vitro activity of novel cinnamic acids hydrazides against clinically important pathogens" in Journal of Molecular Structure, 1262 (2022):133016,
https://doi.org/10.1016/j.molstruc.2022.133016 . .

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Bjelogrlic, Snezana K.
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Bozic, Aleksandra
AU  - Aranđelović, Irena
AU  - Vukovic, Dragana
AU  - Marinković, Aleksandar
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4986
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 fur-ther investigation needs to be performed to clarify the mechanisms of their anti-Mtb and anticancer activity. (c) 2021 The Authors. Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
T2  - Arabian Journal of Chemistry
T1  - Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile: Antimycobacterial and anticancer activity of newly designed cinnamic acid
IS  - 1
SP  - 103532
VL  - 15
DO  - 10.1016/j.arabjc.2021.103532
ER  - 

@article{
author = "Assaleh, Mohamed H. and Bjelogrlic, Snezana K. and Prlainović, Nevena and Cvijetić, Ilija and Bozic, Aleksandra and Aranđelović, Irena and Vukovic, 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 fur-ther investigation needs to be performed to clarify the mechanisms of their anti-Mtb and anticancer activity. (c) 2021 The Authors. Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).",
journal = "Arabian Journal of Chemistry",
title = "Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile: Antimycobacterial and anticancer activity of newly designed cinnamic acid",
number = "1",
pages = "103532",
volume = "15",
doi = "10.1016/j.arabjc.2021.103532"
}

Assaleh, M. H., Bjelogrlic, S. K., Prlainović, N., Cvijetić, I., Bozic, A., Aranđelović, I., Vukovic, D.,& Marinković, A.. (2022). Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile: Antimycobacterial and anticancer activity of newly designed cinnamic acid. in Arabian Journal of Chemistry, 15(1), 103532.
https://doi.org/10.1016/j.arabjc.2021.103532

Assaleh MH, Bjelogrlic SK, Prlainović N, Cvijetić I, Bozic A, Aranđelović I, Vukovic D, Marinković A. Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile: Antimycobacterial and anticancer activity of newly designed cinnamic acid. in Arabian Journal of Chemistry. 2022;15(1):103532.
doi:10.1016/j.arabjc.2021.103532 .

Assaleh, Mohamed H., Bjelogrlic, Snezana K., Prlainović, Nevena, Cvijetić, Ilija, Bozic, Aleksandra, Aranđelović, Irena, Vukovic, Dragana, Marinković, Aleksandar, "Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile: Antimycobacterial and anticancer activity of newly designed cinnamic acid" in Arabian Journal of Chemistry, 15, no. 1 (2022):103532,
https://doi.org/10.1016/j.arabjc.2021.103532 . .

TY  - JOUR
AU  - Ivanovska, Aleksandra
AU  - Lađarević, Jelena
AU  - Pavun, Leposava
AU  - Dojčinović, Biljana
AU  - Cvijetić, Ilija
AU  - Mijin, Dušan
AU  - Kostić, Mirjana
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4790
AB  - The objective of this investigation was to obtain jute fabrics with enhanced sorption properties (by using simple and cost-effective alkali and oxidative modifications) and a long life cycle. The applied alkali modifications lead to hemicellulose removal and decreased the fibers' crystallinity, both contributing to enhanced fibers' sorption properties, i.e., water retention power and degree of fibers' swelling up to 49 % and 70 %, respectively. A connection between cellulose polymorphs' (cellulose I and cellulose II) contents (determined by XRD), fibers' surface morphology (verified by FESEM), fabrics' crimp, and capillarity of jute fabrics modified with 17.5 % NaOH was established. During the oxidative modifications, significant changes in jute fibers' chemical composition and structure (i.e., lignin removal and more homogeneous middle lamellae) occurred which further resulted in enhanced jute fabrics' water retention power and capillarity as well as fibers' swelling up to 80 %, 75 %, and 54 %, compared to the raw jute, respectively. In order to move towards a circular economy and to ensure the recycling and re-use of recycled fabrics, the jute fabrics with enhanced sorption properties were evaluated as biosorbents for anthraquinone dye C. I. Acid Blue 111. The obtained results revealed that the jute fabrics' maximum biosorption capacities for this dye ranged from 12.94 to 18.97 mg/g, while the equilibrium adsorption data were highly consistent with the Langmuir isotherm model. Moreover, based on the predicted dye pKa values, the fabric zeta potential, content of carboxyl and aldehyde groups as well as hydrogen bond intensity (determined by ATR-FTIR), a possible mechanism of the dye biosorption onto jute fabric waste was proposed.
T2  - Industrial Crops and Products
T1  - Obtaining jute fabrics with enhanced sorption properties and "closing the loop" of their lifecycle
VL  - 171
DO  - 10.1016/j.indcrop.2021.113913
ER  - 

@article{
author = "Ivanovska, Aleksandra and Lađarević, Jelena and Pavun, Leposava and Dojčinović, Biljana and Cvijetić, Ilija and Mijin, Dušan and Kostić, Mirjana",
year = "2021",
abstract = "The objective of this investigation was to obtain jute fabrics with enhanced sorption properties (by using simple and cost-effective alkali and oxidative modifications) and a long life cycle. The applied alkali modifications lead to hemicellulose removal and decreased the fibers' crystallinity, both contributing to enhanced fibers' sorption properties, i.e., water retention power and degree of fibers' swelling up to 49 % and 70 %, respectively. A connection between cellulose polymorphs' (cellulose I and cellulose II) contents (determined by XRD), fibers' surface morphology (verified by FESEM), fabrics' crimp, and capillarity of jute fabrics modified with 17.5 % NaOH was established. During the oxidative modifications, significant changes in jute fibers' chemical composition and structure (i.e., lignin removal and more homogeneous middle lamellae) occurred which further resulted in enhanced jute fabrics' water retention power and capillarity as well as fibers' swelling up to 80 %, 75 %, and 54 %, compared to the raw jute, respectively. In order to move towards a circular economy and to ensure the recycling and re-use of recycled fabrics, the jute fabrics with enhanced sorption properties were evaluated as biosorbents for anthraquinone dye C. I. Acid Blue 111. The obtained results revealed that the jute fabrics' maximum biosorption capacities for this dye ranged from 12.94 to 18.97 mg/g, while the equilibrium adsorption data were highly consistent with the Langmuir isotherm model. Moreover, based on the predicted dye pKa values, the fabric zeta potential, content of carboxyl and aldehyde groups as well as hydrogen bond intensity (determined by ATR-FTIR), a possible mechanism of the dye biosorption onto jute fabric waste was proposed.",
journal = "Industrial Crops and Products",
title = "Obtaining jute fabrics with enhanced sorption properties and "closing the loop" of their lifecycle",
volume = "171",
doi = "10.1016/j.indcrop.2021.113913"
}

Ivanovska, A., Lađarević, J., Pavun, L., Dojčinović, B., Cvijetić, I., Mijin, D.,& Kostić, M.. (2021). Obtaining jute fabrics with enhanced sorption properties and "closing the loop" of their lifecycle. in Industrial Crops and Products, 171.
https://doi.org/10.1016/j.indcrop.2021.113913

Ivanovska A, Lađarević J, Pavun L, Dojčinović B, Cvijetić I, Mijin D, Kostić M. Obtaining jute fabrics with enhanced sorption properties and "closing the loop" of their lifecycle. in Industrial Crops and Products. 2021;171.
doi:10.1016/j.indcrop.2021.113913 .

Ivanovska, Aleksandra, Lađarević, Jelena, Pavun, Leposava, Dojčinović, Biljana, Cvijetić, Ilija, Mijin, Dušan, Kostić, Mirjana, "Obtaining jute fabrics with enhanced sorption properties and "closing the loop" of their lifecycle" in Industrial Crops and Products, 171 (2021),
https://doi.org/10.1016/j.indcrop.2021.113913 . .

TY  - JOUR
AU  - Popović, Ana L.
AU  - Rusmirovic, Jelena D.
AU  - Veličković, Zlate
AU  - Kovacevic, Tihomir
AU  - Jovanovic, Aleksandar
AU  - Cvijetić, Ilija
AU  - Marinković, Aleksandar
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4967
AB  - In-depth kinetic and column adsorption study for diclofenac, DCF, heavy-metal and oxyanions adsorption on highly effective amino-functionalized lignin-based microsphere adsorbent (A-LMS) is examined. The A-LMS was synthesized via inverse suspension copolymerization of industrial kraft lignin with the amino containing grafting-agent (polyethylene imine), and an epoxy chloropropane cross-linker. The batch adsorption results indicated process spontaneity and feasibility of a high removal capacity: DCF(151.13) >>Cd2+(74.84)>Cr(VI)(54.20)>As(V)(53.12)>Ni2+(49.42 mg g(-1)). The quantum chemical calculated interaction energies reveal stabilization of the A-LMS/DCF complex through the electrostatics and van der Waals interactions. The results from the pseudo-second order and Weber-Morris fitting indicate a fast removal rate; thus, column tests were undertaken. The single resistance mass transfer model, i.e. the mass transfer (kfa) and diffusion coefficient (Deff), shows pore diffusional transport as a rate limiting step. The fitting of the fixed bed column data with empirical models demonstrates the influences of flow rate and adsorbate inlet concentration on the breakthrough behavior. Pore surface diffusion modeling (PSDM) expresses mass transport under applied hydraulic loading rates, calculated breakthrough point adsorption capacities: Cd2+(58.1)>Cr(VI)(54.1)>As(V)(50.9)>>Ni2+(42.9 mg g(-1))), without performing the experimentation on a full pilot-scale level, further confirms the high applicability of the A-LMS biobased adsorbent.
T2  - Journal of Industrial and Engineering Chemistry
T1  - Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres
EP  - 314
SP  - 302
VL  - 93
DO  - 10.1016/j.jiec.2020.10.006
ER  - 

@article{
author = "Popović, Ana L. and Rusmirovic, Jelena D. and Veličković, Zlate and Kovacevic, Tihomir and Jovanovic, Aleksandar and Cvijetić, Ilija and Marinković, Aleksandar",
year = "2021",
abstract = "In-depth kinetic and column adsorption study for diclofenac, DCF, heavy-metal and oxyanions adsorption on highly effective amino-functionalized lignin-based microsphere adsorbent (A-LMS) is examined. The A-LMS was synthesized via inverse suspension copolymerization of industrial kraft lignin with the amino containing grafting-agent (polyethylene imine), and an epoxy chloropropane cross-linker. The batch adsorption results indicated process spontaneity and feasibility of a high removal capacity: DCF(151.13) >>Cd2+(74.84)>Cr(VI)(54.20)>As(V)(53.12)>Ni2+(49.42 mg g(-1)). The quantum chemical calculated interaction energies reveal stabilization of the A-LMS/DCF complex through the electrostatics and van der Waals interactions. The results from the pseudo-second order and Weber-Morris fitting indicate a fast removal rate; thus, column tests were undertaken. The single resistance mass transfer model, i.e. the mass transfer (kfa) and diffusion coefficient (Deff), shows pore diffusional transport as a rate limiting step. The fitting of the fixed bed column data with empirical models demonstrates the influences of flow rate and adsorbate inlet concentration on the breakthrough behavior. Pore surface diffusion modeling (PSDM) expresses mass transport under applied hydraulic loading rates, calculated breakthrough point adsorption capacities: Cd2+(58.1)>Cr(VI)(54.1)>As(V)(50.9)>>Ni2+(42.9 mg g(-1))), without performing the experimentation on a full pilot-scale level, further confirms the high applicability of the A-LMS biobased adsorbent.",
journal = "Journal of Industrial and Engineering Chemistry",
title = "Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres",
pages = "314-302",
volume = "93",
doi = "10.1016/j.jiec.2020.10.006"
}

Popović, A. L., Rusmirovic, J. D., Veličković, Z., Kovacevic, T., Jovanovic, A., Cvijetić, I.,& Marinković, A.. (2021). Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres. in Journal of Industrial and Engineering Chemistry, 93, 302-314.
https://doi.org/10.1016/j.jiec.2020.10.006

Popović AL, Rusmirovic JD, Veličković Z, Kovacevic T, Jovanovic A, Cvijetić I, Marinković A. Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres. in Journal of Industrial and Engineering Chemistry. 2021;93:302-314.
doi:10.1016/j.jiec.2020.10.006 .

Popović, Ana L., Rusmirovic, Jelena D., Veličković, Zlate, Kovacevic, Tihomir, Jovanovic, Aleksandar, Cvijetić, Ilija, Marinković, Aleksandar, "Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres" in Journal of Industrial and Engineering Chemistry, 93 (2021):302-314,
https://doi.org/10.1016/j.jiec.2020.10.006 . .

TY  - JOUR
AU  - Perendija, Jovana
AU  - Veličković, Zlate S.
AU  - Cvijetić, Ilija
AU  - Levic, Steva
AU  - Marinković, Aleksandar
AU  - Milosevic, Milena
AU  - Onjia, Antonije
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4901
AB  - Two optimized methods, based on epoxy-amino reactivity of the Cellulose fibres (Cell) modified with diethylenetriamine (Cell-DETA), (3-Glycidyloxypropyl)trimethoxysilane (Cell-Glymo), Lignin modified with epichlorohydrine (EL) and Tannic acid (TA), as an additional crosslinker, were developed for the production of the bio-renewable Cell-EL and Cell-EL-TA membranes. The influences of pH, contact time, adsorbent dose, and temperature on adsorption performances were studied by batch adsorption tests. The calculated capacities: 53.9, 99.9, 97.8 and 63.5, 115.8, 127.5 mg g(-1) for Ni2+, Pb2+, Cr(VI) using Cell-EL and Cell-EL-TA, respectively, were obtained from Langmuir model fitting at 25 degrees C. The thermodynamic parameters indicated spontaneous and low endothermic processes. The results of the kinetic study, i.e. pseudo-second-order (PSO) and Weber-Morris (W-M), suggest an intra-particle diffusion as a rate-limiting step. The semi-empirical quantum chemical calculations aided the analysis of the non-specificand specific adsorbent/adsorbate interactions and their contribution to the overall bonding mechanism. Membrane utility was confirmed by performing a bed column study. In general, three main environmental issues of the present study, biodegradability of the used membrane, desorption efficiency, and development of the technology for the effective effluent water treatment and safe disposal of by-products highly conform to the demand of integrated environmental management system applicability in practice.
T2  - Process Safety and Environmental Protection
T1  - Bio-membrane based on modified cellulose, lignin, and tannic acid for cation and oxyanion removal: Experimental and theoretical study
EP  - 625
SP  - 609
VL  - 147
DO  - 10.1016/j.psep.2020.12.027
ER  - 

@article{
author = "Perendija, Jovana and Veličković, Zlate S. and Cvijetić, Ilija and Levic, Steva and Marinković, Aleksandar and Milosevic, Milena and Onjia, Antonije",
year = "2021",
abstract = "Two optimized methods, based on epoxy-amino reactivity of the Cellulose fibres (Cell) modified with diethylenetriamine (Cell-DETA), (3-Glycidyloxypropyl)trimethoxysilane (Cell-Glymo), Lignin modified with epichlorohydrine (EL) and Tannic acid (TA), as an additional crosslinker, were developed for the production of the bio-renewable Cell-EL and Cell-EL-TA membranes. The influences of pH, contact time, adsorbent dose, and temperature on adsorption performances were studied by batch adsorption tests. The calculated capacities: 53.9, 99.9, 97.8 and 63.5, 115.8, 127.5 mg g(-1) for Ni2+, Pb2+, Cr(VI) using Cell-EL and Cell-EL-TA, respectively, were obtained from Langmuir model fitting at 25 degrees C. The thermodynamic parameters indicated spontaneous and low endothermic processes. The results of the kinetic study, i.e. pseudo-second-order (PSO) and Weber-Morris (W-M), suggest an intra-particle diffusion as a rate-limiting step. The semi-empirical quantum chemical calculations aided the analysis of the non-specificand specific adsorbent/adsorbate interactions and their contribution to the overall bonding mechanism. Membrane utility was confirmed by performing a bed column study. In general, three main environmental issues of the present study, biodegradability of the used membrane, desorption efficiency, and development of the technology for the effective effluent water treatment and safe disposal of by-products highly conform to the demand of integrated environmental management system applicability in practice.",
journal = "Process Safety and Environmental Protection",
title = "Bio-membrane based on modified cellulose, lignin, and tannic acid for cation and oxyanion removal: Experimental and theoretical study",
pages = "625-609",
volume = "147",
doi = "10.1016/j.psep.2020.12.027"
}

Perendija, J., Veličković, Z. S., Cvijetić, I., Levic, S., Marinković, A., Milosevic, M.,& Onjia, A.. (2021). Bio-membrane based on modified cellulose, lignin, and tannic acid for cation and oxyanion removal: Experimental and theoretical study. in Process Safety and Environmental Protection, 147, 609-625.
https://doi.org/10.1016/j.psep.2020.12.027

Perendija J, Veličković ZS, Cvijetić I, Levic S, Marinković A, Milosevic M, Onjia A. Bio-membrane based on modified cellulose, lignin, and tannic acid for cation and oxyanion removal: Experimental and theoretical study. in Process Safety and Environmental Protection. 2021;147:609-625.
doi:10.1016/j.psep.2020.12.027 .

Perendija, Jovana, Veličković, Zlate S., Cvijetić, Ilija, Levic, Steva, Marinković, Aleksandar, Milosevic, Milena, Onjia, Antonije, "Bio-membrane based on modified cellulose, lignin, and tannic acid for cation and oxyanion removal: Experimental and theoretical study" in Process Safety and Environmental Protection, 147 (2021):609-625,
https://doi.org/10.1016/j.psep.2020.12.027 . .

TY  - JOUR
AU  - Popović, Ana L.
AU  - Rusmirović, Jelena
AU  - Veličković, Zlate
AU  - Kovacević, T.
AU  - Jovanović, Aleksandar
AU  - Cvijetić, Ilija
AU  - Marinković, Aleksandar
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4583
AB  - In-depth kinetic and column adsorption study for diclofenac, DCF, heavy-metal and oxyanions adsorption on highly effective amino-functionalized lignin-based microsphere adsorbent (A-LMS) is examined. The A-LMS was synthesized via inverse suspension copolymerization of industrial kraft lignin with the amino containing grafting-agent (polyethylene imine), and an epoxy chloropropane cross-linker. The batch adsorption results indicated process spontaneity and feasibility of a high removal capacity: DCF(151.13)>>Cd2+(74.84)>Cr(VI)(54.20)>As(V)(53.12)>Ni2+(49.42 mg g−1). The quantum chemical calculated interaction energies reveal stabilization of the A-LMS/DCF complex through the electrostatics and van der Waals interactions. The results from the pseudo-second order and Weber-Morris fitting indicate a fast removal rate; thus, column tests were undertaken. The single resistance mass transfer model, i.e. the mass transfer (kfa) and diffusion coefficient (Deff), shows pore diffusional transport as a rate limiting step. The fitting of the fixed bed column data with empirical models demonstrates the influences of flow rate and adsorbate inlet concentration on the breakthrough behavior. Pore surface diffusion modeling (PSDM) expresses mass transport under applied hydraulic loading rates, calculated breakthrough point adsorption capacities: Cd2+(58.1)>Cr(VI)(54.1)>As(V)(50.9)>>Ni2+(42.9 mg g−1)), without performing the experimentation on a full pilot-scale level, further confirms the high applicability of the A-LMS bio-based adsorbent.
PB  - Elsevier Science Inc, New York
T2  - Journal of Industrial and Engineering Chemistry
T1  - Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres
EP  - 314
SP  - 302
VL  - 93
DO  - 10.1016/j.jiec.2020.10.006
ER  - 

@article{
author = "Popović, Ana L. and Rusmirović, Jelena and Veličković, Zlate and Kovacević, T. and Jovanović, Aleksandar and Cvijetić, Ilija and Marinković, Aleksandar",
year = "2021",
abstract = "In-depth kinetic and column adsorption study for diclofenac, DCF, heavy-metal and oxyanions adsorption on highly effective amino-functionalized lignin-based microsphere adsorbent (A-LMS) is examined. The A-LMS was synthesized via inverse suspension copolymerization of industrial kraft lignin with the amino containing grafting-agent (polyethylene imine), and an epoxy chloropropane cross-linker. The batch adsorption results indicated process spontaneity and feasibility of a high removal capacity: DCF(151.13)>>Cd2+(74.84)>Cr(VI)(54.20)>As(V)(53.12)>Ni2+(49.42 mg g−1). The quantum chemical calculated interaction energies reveal stabilization of the A-LMS/DCF complex through the electrostatics and van der Waals interactions. The results from the pseudo-second order and Weber-Morris fitting indicate a fast removal rate; thus, column tests were undertaken. The single resistance mass transfer model, i.e. the mass transfer (kfa) and diffusion coefficient (Deff), shows pore diffusional transport as a rate limiting step. The fitting of the fixed bed column data with empirical models demonstrates the influences of flow rate and adsorbate inlet concentration on the breakthrough behavior. Pore surface diffusion modeling (PSDM) expresses mass transport under applied hydraulic loading rates, calculated breakthrough point adsorption capacities: Cd2+(58.1)>Cr(VI)(54.1)>As(V)(50.9)>>Ni2+(42.9 mg g−1)), without performing the experimentation on a full pilot-scale level, further confirms the high applicability of the A-LMS bio-based adsorbent.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Industrial and Engineering Chemistry",
title = "Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres",
pages = "314-302",
volume = "93",
doi = "10.1016/j.jiec.2020.10.006"
}

Popović, A. L., Rusmirović, J., Veličković, Z., Kovacević, T., Jovanović, A., Cvijetić, I.,& Marinković, A.. (2021). Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres. in Journal of Industrial and Engineering Chemistry
Elsevier Science Inc, New York., 93, 302-314.
https://doi.org/10.1016/j.jiec.2020.10.006

Popović AL, Rusmirović J, Veličković Z, Kovacević T, Jovanović A, Cvijetić I, Marinković A. Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres. in Journal of Industrial and Engineering Chemistry. 2021;93:302-314.
doi:10.1016/j.jiec.2020.10.006 .

Popović, Ana L., Rusmirović, Jelena, Veličković, Zlate, Kovacević, T., Jovanović, Aleksandar, Cvijetić, Ilija, Marinković, Aleksandar, "Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres" in Journal of Industrial and Engineering Chemistry, 93 (2021):302-314,
https://doi.org/10.1016/j.jiec.2020.10.006 . .

TY  - JOUR
AU  - Nesic, Jovica
AU  - Cvijetić, Ilija
AU  - Bogdanov, Jovica
AU  - Marinković, Aleksandar
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4847
AB  - Three azido-esters based green energetic plasticizers were synthesized from their chlorides including DEGBAA (diethyleneglycol bis(azidoacetate)), DPGBAA (dipropyleneglycol bis(azidoacetate)) and HETTAA (hexanetriol tris(azidoacetate)). The syntheses were carried out in a two-step process: the first step was esterification of glycol or triol using chloroacetyl chloride, and the second step was substitution of chloracetate with sodium azide that yields corresponding azido derivatives. The parameters of synthesis such as molar ratio of hydroxyl and acyl groups, and amount and type of solvent (dimethyl sulfoxide and dimethyl formamide) were optimized to achieve maximal conversion and purity of the products. The obtained products were characterized by elemental analysis, nuclear magnetic resonance (NMR), and infrared vibrational spectroscopy (IR). Thermal and rheological properties were determined using DSC and Modular Compact Rheometer. Condensed phase heat of formation and several properties important for high-energy materials were predicted from quantum chemical calculations using CBS-4M method. Detonation and combustion performance of energetic compounds were calculated with the thermochemical computer code EXPLO5V06.05. using the predicted heats of formation and experimentally determined densities as input. The energetic and physical properties of the synthesized compounds were compared to the literature data for common plasticizers.
T2  - Propellants Explosives Pyrotechnics
T1  - Synthesis and Characterization of Azido Esters as Green Energetic Plasticizers
EP  - 1546
IS  - 10
SP  - 1537
VL  - 46
DO  - 10.1002/prep.202100105
ER  - 

@article{
author = "Nesic, Jovica and Cvijetić, Ilija and Bogdanov, Jovica and Marinković, Aleksandar",
year = "2021",
abstract = "Three azido-esters based green energetic plasticizers were synthesized from their chlorides including DEGBAA (diethyleneglycol bis(azidoacetate)), DPGBAA (dipropyleneglycol bis(azidoacetate)) and HETTAA (hexanetriol tris(azidoacetate)). The syntheses were carried out in a two-step process: the first step was esterification of glycol or triol using chloroacetyl chloride, and the second step was substitution of chloracetate with sodium azide that yields corresponding azido derivatives. The parameters of synthesis such as molar ratio of hydroxyl and acyl groups, and amount and type of solvent (dimethyl sulfoxide and dimethyl formamide) were optimized to achieve maximal conversion and purity of the products. The obtained products were characterized by elemental analysis, nuclear magnetic resonance (NMR), and infrared vibrational spectroscopy (IR). Thermal and rheological properties were determined using DSC and Modular Compact Rheometer. Condensed phase heat of formation and several properties important for high-energy materials were predicted from quantum chemical calculations using CBS-4M method. Detonation and combustion performance of energetic compounds were calculated with the thermochemical computer code EXPLO5V06.05. using the predicted heats of formation and experimentally determined densities as input. The energetic and physical properties of the synthesized compounds were compared to the literature data for common plasticizers.",
journal = "Propellants Explosives Pyrotechnics",
title = "Synthesis and Characterization of Azido Esters as Green Energetic Plasticizers",
pages = "1546-1537",
number = "10",
volume = "46",
doi = "10.1002/prep.202100105"
}

Nesic, J., Cvijetić, I., Bogdanov, J.,& Marinković, A.. (2021). Synthesis and Characterization of Azido Esters as Green Energetic Plasticizers. in Propellants Explosives Pyrotechnics, 46(10), 1537-1546.
https://doi.org/10.1002/prep.202100105

Nesic J, Cvijetić I, Bogdanov J, Marinković A. Synthesis and Characterization of Azido Esters as Green Energetic Plasticizers. in Propellants Explosives Pyrotechnics. 2021;46(10):1537-1546.
doi:10.1002/prep.202100105 .

Nesic, Jovica, Cvijetić, Ilija, Bogdanov, Jovica, Marinković, Aleksandar, "Synthesis and Characterization of Azido Esters as Green Energetic Plasticizers" in Propellants Explosives Pyrotechnics, 46, no. 10 (2021):1537-1546,
https://doi.org/10.1002/prep.202100105 . .

TY  - JOUR
AU  - Stojiljkovic, Ivana N.
AU  - Rancic, Milica P.
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milcic, Milos K.
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4891
AB  - Electronic interactions in donor-pi-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push-pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and C-13 NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push-pull character of barbituric acid derivatives was performed by the (CNMR)-C-13 chemical shift differences, Mayer pi bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push-pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study
VL  - 253
DO  - 10.1016/j.saa.2021.119576
ER  - 

@article{
author = "Stojiljkovic, Ivana N. and Rancic, Milica P. and Marinković, Aleksandar and Cvijetić, Ilija and Milcic, Milos K.",
year = "2021",
abstract = "Electronic interactions in donor-pi-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push-pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and C-13 NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push-pull character of barbituric acid derivatives was performed by the (CNMR)-C-13 chemical shift differences, Mayer pi bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push-pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study",
volume = "253",
doi = "10.1016/j.saa.2021.119576"
}

Stojiljkovic, I. N., Rancic, M. P., Marinković, A., Cvijetić, I.,& Milcic, M. K.. (2021). Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 253.
https://doi.org/10.1016/j.saa.2021.119576

Stojiljkovic IN, Rancic MP, Marinković A, Cvijetić I, Milcic MK. Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2021;253.
doi:10.1016/j.saa.2021.119576 .

Stojiljkovic, Ivana N., Rancic, Milica P., Marinković, Aleksandar, Cvijetić, Ilija, Milcic, Milos K., "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push-pull electronic systems: Experimental and quantum chemical study" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 253 (2021),
https://doi.org/10.1016/j.saa.2021.119576 . .

TY  - JOUR
AU  - Milošević, Milena D.
AU  - Marinković, Aleksandar
AU  - Petrović, Predrag
AU  - Klaus, Anita
AU  - Nikolić, Milica G.
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4393
AB  - In this study we synthesized a series of sixteen bis(imino)pyridines (BIPs) starting from 2,6-diaminopyridine and various aromatic aldehydes, and evaluated their antioxidant, antibacterial, antifungal and acetylcholinesterase (AChE) inhibitory activity. The chemical structures were elucidated by FTIR, elemental analysis, ESR and HRMS. H-1 and C-13 NMR spectra couldn't be acquired due to the formation of stable, carbon-centered radical cations in a solution, as confirmed by ESR spectroscopy and DFT calculations. The in vitro antioxidant potency was evaluated using four assays: free radical scavenging activity (DPPH and ABTS), reducing power and total antioxidant capacity assay. BIPs demonstrated excellent antioxidant properties, and two derivatives proved to be more potent than reference antioxidants (ascorbic acid and Trolox) in all assays. DFT calculations on.B97XD/6-311++g(d,p) level of theory provided valuable insights into the radical scavenging mechanism of BIPs. For hydroxyl-substituted BIPs, hydrogen atom transfer (HAT) is a predominant mechanism, while the single electron transfer coupled with proton transfer (SET-PT) governs the antioxidant activity of other derivatives. Intramolecular hydrogen bonding (IHB) plays an important role in the mechanism of antioxidant activity as revealed by noncovalent interaction analysis and rotational barrier calculations. The spin density of radical cations is localized on carbon atoms of a pyridine ring, which corroborates with g-factors and multiplicity obtained from ESR analysis. The most potent BIP exhibited moderate inhibitory activity toward AChE (IC50 = 20 +/- 4 mu M), while molecular docking suggested binding at the peripheral anionic site of AChE with the MMFF94 binding enthalpy of -43.4 kcal/mol. Moderate in vitro antimicrobial activity of BIPs have been determined against several pathogenic bacterial strains: Pseudomonas aeruginosa, Escherichia coli, Enterococcus faecalis, Staphylococcus aureus and clinical isolate of methicillin resistant S. aureus (MRSA). The antifungal activity of BIPs toward Candida albicans was also confirmed. The similarity ensemble approach combined with molecular docking suggested leucyl aminopeptidase as the probable antimicrobial target for the three most potent BIP derivatives.
PB  - Academic Press Inc Elsevier Science, San Diego
T2  - Bioorganic Chemistry
T1  - Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents
VL  - 102
DO  - 10.1016/j.bioorg.2020.104073
ER  - 

@article{
author = "Milošević, Milena D. and Marinković, Aleksandar and Petrović, Predrag and Klaus, Anita and Nikolić, Milica G. and Prlainović, Nevena and Cvijetić, Ilija",
year = "2020",
abstract = "In this study we synthesized a series of sixteen bis(imino)pyridines (BIPs) starting from 2,6-diaminopyridine and various aromatic aldehydes, and evaluated their antioxidant, antibacterial, antifungal and acetylcholinesterase (AChE) inhibitory activity. The chemical structures were elucidated by FTIR, elemental analysis, ESR and HRMS. H-1 and C-13 NMR spectra couldn't be acquired due to the formation of stable, carbon-centered radical cations in a solution, as confirmed by ESR spectroscopy and DFT calculations. The in vitro antioxidant potency was evaluated using four assays: free radical scavenging activity (DPPH and ABTS), reducing power and total antioxidant capacity assay. BIPs demonstrated excellent antioxidant properties, and two derivatives proved to be more potent than reference antioxidants (ascorbic acid and Trolox) in all assays. DFT calculations on.B97XD/6-311++g(d,p) level of theory provided valuable insights into the radical scavenging mechanism of BIPs. For hydroxyl-substituted BIPs, hydrogen atom transfer (HAT) is a predominant mechanism, while the single electron transfer coupled with proton transfer (SET-PT) governs the antioxidant activity of other derivatives. Intramolecular hydrogen bonding (IHB) plays an important role in the mechanism of antioxidant activity as revealed by noncovalent interaction analysis and rotational barrier calculations. The spin density of radical cations is localized on carbon atoms of a pyridine ring, which corroborates with g-factors and multiplicity obtained from ESR analysis. The most potent BIP exhibited moderate inhibitory activity toward AChE (IC50 = 20 +/- 4 mu M), while molecular docking suggested binding at the peripheral anionic site of AChE with the MMFF94 binding enthalpy of -43.4 kcal/mol. Moderate in vitro antimicrobial activity of BIPs have been determined against several pathogenic bacterial strains: Pseudomonas aeruginosa, Escherichia coli, Enterococcus faecalis, Staphylococcus aureus and clinical isolate of methicillin resistant S. aureus (MRSA). The antifungal activity of BIPs toward Candida albicans was also confirmed. The similarity ensemble approach combined with molecular docking suggested leucyl aminopeptidase as the probable antimicrobial target for the three most potent BIP derivatives.",
publisher = "Academic Press Inc Elsevier Science, San Diego",
journal = "Bioorganic Chemistry",
title = "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents",
volume = "102",
doi = "10.1016/j.bioorg.2020.104073"
}

Milošević, M. D., Marinković, A., Petrović, P., Klaus, A., Nikolić, M. G., Prlainović, N.,& Cvijetić, I.. (2020). Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents. in Bioorganic Chemistry
Academic Press Inc Elsevier Science, San Diego., 102.
https://doi.org/10.1016/j.bioorg.2020.104073

Milošević MD, Marinković A, Petrović P, Klaus A, Nikolić MG, Prlainović N, Cvijetić I. Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents. in Bioorganic Chemistry. 2020;102.
doi:10.1016/j.bioorg.2020.104073 .

Milošević, Milena D., Marinković, Aleksandar, Petrović, Predrag, Klaus, Anita, Nikolić, Milica G., Prlainović, Nevena, Cvijetić, Ilija, "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents" in Bioorganic Chemistry, 102 (2020),
https://doi.org/10.1016/j.bioorg.2020.104073 . .

TY  - JOUR
AU  - Perendija, Jovana
AU  - Veličković, Zlate
AU  - Cvijetić, Ilija
AU  - Rusmirović, Jelena
AU  - Ugrinović, Vukašin
AU  - Marinković, Aleksandar
AU  - Onjia, Antonije
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4348
AB  - An optimized method is presented to make magnetite (MG) modified cellulose membrane (Cell-MG) from 3-aminopropyltriethoxysilane and diethylenetriaminepentaacetic acid dianhydride functionalized waste cell fibers; (Cell-NH(2)and Cell-DTPA), and amino-modified diatomite. Functionalized Cell-NH2, Cell-DTPA fibers, and diatomite were structurally and morphologically characterized using FT-IR, Raman, and FE-SEM analysis. Amino and carboxyl group content was determined via standard volumetric methods. Response surface method was applied to rationalize the number of experiments related to Cell-MG synthesis and heavy metal ions column adsorption experiments. The effects of pH, contact time, temperature, and initial concentration of pollutants on adsorption and kinetics were studied in a batch, while initial concentration and flow rate were studied in a flow system. The calculated capacities of 88.2, 100.7, 95.8 and 78.2 mg g(-1)for Ni2+, Pb2+, Cr(VI) and As(V) ions, respectively, were obtained from Langmuir model fitting. Intra-particle diffusion as a rate-limiting step was evaluated from pseudo-second-order and Weber-Morris model fitting. Thermodynamic parameters indicated spontaneous and low endothermic processes. The results from reusability study, wastewater purification and fixed-bed column study proved the high applicability of Cell-MG. Additionally, high removal capacity of four dyes together with density functional theory and molecular interaction fields, help in the establishment of relation between the adsorption performances and contribution of non-specific and specific interactions at adsorbate/adsorbent interface.
PB  - Springer, Dordrecht
T2  - Cellulose
T1  - Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane
EP  - 8235
IS  - 14
SP  - 8215
VL  - 27
DO  - 10.1007/s10570-020-03352-x
ER  - 

@article{
author = "Perendija, Jovana and Veličković, Zlate and Cvijetić, Ilija and Rusmirović, Jelena and Ugrinović, Vukašin and Marinković, Aleksandar and Onjia, Antonije",
year = "2020",
abstract = "An optimized method is presented to make magnetite (MG) modified cellulose membrane (Cell-MG) from 3-aminopropyltriethoxysilane and diethylenetriaminepentaacetic acid dianhydride functionalized waste cell fibers; (Cell-NH(2)and Cell-DTPA), and amino-modified diatomite. Functionalized Cell-NH2, Cell-DTPA fibers, and diatomite were structurally and morphologically characterized using FT-IR, Raman, and FE-SEM analysis. Amino and carboxyl group content was determined via standard volumetric methods. Response surface method was applied to rationalize the number of experiments related to Cell-MG synthesis and heavy metal ions column adsorption experiments. The effects of pH, contact time, temperature, and initial concentration of pollutants on adsorption and kinetics were studied in a batch, while initial concentration and flow rate were studied in a flow system. The calculated capacities of 88.2, 100.7, 95.8 and 78.2 mg g(-1)for Ni2+, Pb2+, Cr(VI) and As(V) ions, respectively, were obtained from Langmuir model fitting. Intra-particle diffusion as a rate-limiting step was evaluated from pseudo-second-order and Weber-Morris model fitting. Thermodynamic parameters indicated spontaneous and low endothermic processes. The results from reusability study, wastewater purification and fixed-bed column study proved the high applicability of Cell-MG. Additionally, high removal capacity of four dyes together with density functional theory and molecular interaction fields, help in the establishment of relation between the adsorption performances and contribution of non-specific and specific interactions at adsorbate/adsorbent interface.",
publisher = "Springer, Dordrecht",
journal = "Cellulose",
title = "Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane",
pages = "8235-8215",
number = "14",
volume = "27",
doi = "10.1007/s10570-020-03352-x"
}

Perendija, J., Veličković, Z., Cvijetić, I., Rusmirović, J., Ugrinović, V., Marinković, A.,& Onjia, A.. (2020). Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane. in Cellulose
Springer, Dordrecht., 27(14), 8215-8235.
https://doi.org/10.1007/s10570-020-03352-x

Perendija J, Veličković Z, Cvijetić I, Rusmirović J, Ugrinović V, Marinković A, Onjia A. Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane. in Cellulose. 2020;27(14):8215-8235.
doi:10.1007/s10570-020-03352-x .

Perendija, Jovana, Veličković, Zlate, Cvijetić, Ilija, Rusmirović, Jelena, Ugrinović, Vukašin, Marinković, Aleksandar, Onjia, Antonije, "Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane" in Cellulose, 27, no. 14 (2020):8215-8235,
https://doi.org/10.1007/s10570-020-03352-x . .

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Radišić, Marina
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Kovačević, Danijela
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4480
AB  - This study describes photolysis of 1 x 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 x 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  gt  tert-butanol  gt  n-hexane  gt  sec-butanol  gt  ethanol  gt  isopentanol  gt  isobutanol  gt  isopropanol  gt  methanol  gt  acetonitrile  gt  dichloromethane  gt  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 Science Sa, Lausanne
T2  - Journal of Photochemistry and Photobiology A-Chemistry
T1  - Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study
VL  - 391
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 and Marinković, Aleksandar",
year = "2020",
abstract = "This study describes photolysis of 1 x 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 x 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  gt  tert-butanol  gt  n-hexane  gt  sec-butanol  gt  ethanol  gt  isopentanol  gt  isobutanol  gt  isopropanol  gt  methanol  gt  acetonitrile  gt  dichloromethane  gt  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 Science Sa, Lausanne",
journal = "Journal of Photochemistry and Photobiology A-Chemistry",
title = "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study",
volume = "391",
doi = "10.1016/j.jphotochem.2020.112366"
}

Tomašević, A., Mijin, D., Radišić, M., Prlainović, N., Cvijetić, I., Kovačević, D.,& Marinković, A.. (2020). Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study. in Journal of Photochemistry and Photobiology A-Chemistry
Elsevier Science Sa, Lausanne., 391.
https://doi.org/10.1016/j.jphotochem.2020.112366

Tomašević A, Mijin D, Radišić M, Prlainović N, Cvijetić I, Kovačević D, Marinković A. Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study. in Journal of Photochemistry and Photobiology A-Chemistry. 2020;391.
doi:10.1016/j.jphotochem.2020.112366 .

Tomašević, Anđelka, Mijin, Dušan, Radišić, Marina, Prlainović, Nevena, Cvijetić, Ilija, Kovačević, Danijela, Marinković, Aleksandar, "Photolysis of insecticide methomyl in various solvents: An experimental and theoretical study" in Journal of Photochemistry and Photobiology A-Chemistry, 391 (2020),
https://doi.org/10.1016/j.jphotochem.2020.112366 . .

TY  - JOUR
AU  - Milosavljević, Milutin M.
AU  - Marinković, Aleksandar
AU  - Rančić, Milica
AU  - Milentijević, Goran
AU  - Bogdanović, Aleksandra
AU  - Cvijetić, Ilija
AU  - Gurešić, Dejan
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4528
AB  - An optimal laboratory two-step procedure was developed for sodium/potassium O-alkyl carbonodithioate (sodium/potassium alkyl xanthates) production in the form of aqueous solutions. Sodium isopropyl xanthate (Na-iPrX), as the most effective salt in a real ore flotation process, was also produced at an industrial level and introduced as a collector for copper ores. In order to reduce toxicity of the flotation process and improve sustainability by minimising environmental impacts, collector efficiency and selectivity in the flotation process were studied in relation to possible synergism of xanthates combined with the derived biomass and biodegradable green reagents levulinic acid, 5-hydroxymethyl-2-furanacrylic acid (HMFA), and condensation product of hydroxymethylfurfural and levulinic acid. Optimal content of 30% of HMFA in the collector pointed to the possibility of substitution of commercial xanthate collector without significantly affecting its efficiency/selectivity. The density functional theory (DFT) calculations provided insights into the interaction mechanism of Na-iPrX and HMFA with cooper. The benefits of the presented method highlight production simplicity, mild reaction conditions, high purity and yield of products, no by-products, and technological applicability on an industrial scale.
PB  - MDPI, Basel
T2  - Minerals
T1  - New Eco-Friendly Xanthate-Based Flotation Agents
IS  - 4
VL  - 10
DO  - 10.3390/min10040350
ER  - 

@article{
author = "Milosavljević, Milutin M. and Marinković, Aleksandar and Rančić, Milica and Milentijević, Goran and Bogdanović, Aleksandra and Cvijetić, Ilija and Gurešić, Dejan",
year = "2020",
abstract = "An optimal laboratory two-step procedure was developed for sodium/potassium O-alkyl carbonodithioate (sodium/potassium alkyl xanthates) production in the form of aqueous solutions. Sodium isopropyl xanthate (Na-iPrX), as the most effective salt in a real ore flotation process, was also produced at an industrial level and introduced as a collector for copper ores. In order to reduce toxicity of the flotation process and improve sustainability by minimising environmental impacts, collector efficiency and selectivity in the flotation process were studied in relation to possible synergism of xanthates combined with the derived biomass and biodegradable green reagents levulinic acid, 5-hydroxymethyl-2-furanacrylic acid (HMFA), and condensation product of hydroxymethylfurfural and levulinic acid. Optimal content of 30% of HMFA in the collector pointed to the possibility of substitution of commercial xanthate collector without significantly affecting its efficiency/selectivity. The density functional theory (DFT) calculations provided insights into the interaction mechanism of Na-iPrX and HMFA with cooper. The benefits of the presented method highlight production simplicity, mild reaction conditions, high purity and yield of products, no by-products, and technological applicability on an industrial scale.",
publisher = "MDPI, Basel",
journal = "Minerals",
title = "New Eco-Friendly Xanthate-Based Flotation Agents",
number = "4",
volume = "10",
doi = "10.3390/min10040350"
}

Milosavljević, M. M., Marinković, A., Rančić, M., Milentijević, G., Bogdanović, A., Cvijetić, I.,& Gurešić, D.. (2020). New Eco-Friendly Xanthate-Based Flotation Agents. in Minerals
MDPI, Basel., 10(4).
https://doi.org/10.3390/min10040350

Milosavljević MM, Marinković A, Rančić M, Milentijević G, Bogdanović A, Cvijetić I, Gurešić D. New Eco-Friendly Xanthate-Based Flotation Agents. in Minerals. 2020;10(4).
doi:10.3390/min10040350 .

Milosavljević, Milutin M., Marinković, Aleksandar, Rančić, Milica, Milentijević, Goran, Bogdanović, Aleksandra, Cvijetić, Ilija, Gurešić, Dejan, "New Eco-Friendly Xanthate-Based Flotation Agents" in Minerals, 10, no. 4 (2020),
https://doi.org/10.3390/min10040350 . .

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Filipović, Nenad R.
AU  - Verbić, Tatjana
AU  - Milčić, Miloš
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Klisurić, Olivera
AU  - Radišić, Marina
AU  - Marinković, Aleksandar
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4355
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 Catalan 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 MP2/6-311 G(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.
PB  - Elsevier, Amsterdam
T2  - Arabian Journal of Chemistry
T1  - A detailed experimental and computational study of monocarbohydrazones
EP  - 953
IS  - 1
SP  - 932
VL  - 13
DO  - 10.1016/j.arabjc.2017.08.010
ER  - 

@article{
author = "Božić, Aleksandra R. and Filipović, Nenad R. and Verbić, Tatjana and Milčić, Miloš 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 Catalan 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 MP2/6-311 G(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.",
publisher = "Elsevier, Amsterdam",
journal = "Arabian Journal of Chemistry",
title = "A detailed experimental and computational study of monocarbohydrazones",
pages = "953-932",
number = "1",
volume = "13",
doi = "10.1016/j.arabjc.2017.08.010"
}

Božić, A. R., Filipović, N. R., Verbić, T., Milčić, M., 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, Amsterdam., 13(1), 932-953.
https://doi.org/10.1016/j.arabjc.2017.08.010

Božić AR, Filipović NR, Verbić T, Milčić M, 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, 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 . .

TY  - JOUR
AU  - Tomašević, Anđelka
AU  - Mijin, Dušan
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Gašić, Slavica
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4295
AB  - Photocatalytic degradation of a model compound of the carbamate insecticide carbofuran in water was studied using polychromatic light and ZnO and TiO2 catalysts. The influence of operational parameters, such as reaction time and initial carbofuran concentration, on photocatalytic degradation was studied. A pseudo-first-order kinetic model was established and an almost complete removal of 88.4 mg L-1 of carbofuran occurred within 2 h under optimized conditions. The reactions were examined by UV spectroscopy and high performance liquid chromatography (HPLC). In addition, the photocatalytic efficiencies of ZnO and TiO2 were compared under the same reaction conditions.
AB  - Proučavana je fotokatalitička degradacija model jedinjenja karbamatnog insekticida karbofurana u vodi, u prisustvu polihromatske svetlosti i katalizatora ZnO i TiO2. Ispitivan je uticaj reakcionih parametara, kao što su vreme reakcije i početna koncentracija karbofurana, na fotokatalitičku degradaciju. Ustanovljeno je da je reakcija bila pseudo-prvog reda i primenom optimalnih uslova skoro potpuno uklanjanje 88,4 mg L-1 karbofurana dogodilo se u toku 2 sata. Reakcije su praćene primenom UV spektroskopije i tečne hromatografije visokih performansi (HPLC). Naknadno, upoređena je fotokatalitička efikasnost katalizatora ZnO i TiO2 primenom identičnih reakcionih uslova.
PB  - Institute of Pesticides and Environmental Protection
T2  - Pesticidi i fitomedicina
T1  - Photocatalytic degradation of carbamate insecticides: Effect of different parameters
T1  - Fotokatalitička degradacija karbamatnih insekticida - efekti različitih parametara
EP  - 200
IS  - 3-4
SP  - 193
VL  - 34
DO  - 10.2298/PIF1904193T
ER  - 

@article{
author = "Tomašević, Anđelka and Mijin, Dušan and Marinković, Aleksandar and Cvijetić, Ilija and Gašić, Slavica",
year = "2019",
abstract = "Photocatalytic degradation of a model compound of the carbamate insecticide carbofuran in water was studied using polychromatic light and ZnO and TiO2 catalysts. The influence of operational parameters, such as reaction time and initial carbofuran concentration, on photocatalytic degradation was studied. A pseudo-first-order kinetic model was established and an almost complete removal of 88.4 mg L-1 of carbofuran occurred within 2 h under optimized conditions. The reactions were examined by UV spectroscopy and high performance liquid chromatography (HPLC). In addition, the photocatalytic efficiencies of ZnO and TiO2 were compared under the same reaction conditions., Proučavana je fotokatalitička degradacija model jedinjenja karbamatnog insekticida karbofurana u vodi, u prisustvu polihromatske svetlosti i katalizatora ZnO i TiO2. Ispitivan je uticaj reakcionih parametara, kao što su vreme reakcije i početna koncentracija karbofurana, na fotokatalitičku degradaciju. Ustanovljeno je da je reakcija bila pseudo-prvog reda i primenom optimalnih uslova skoro potpuno uklanjanje 88,4 mg L-1 karbofurana dogodilo se u toku 2 sata. Reakcije su praćene primenom UV spektroskopije i tečne hromatografije visokih performansi (HPLC). Naknadno, upoređena je fotokatalitička efikasnost katalizatora ZnO i TiO2 primenom identičnih reakcionih uslova.",
publisher = "Institute of Pesticides and Environmental Protection",
journal = "Pesticidi i fitomedicina",
title = "Photocatalytic degradation of carbamate insecticides: Effect of different parameters, Fotokatalitička degradacija karbamatnih insekticida - efekti različitih parametara",
pages = "200-193",
number = "3-4",
volume = "34",
doi = "10.2298/PIF1904193T"
}

Tomašević, A., Mijin, D., Marinković, A., Cvijetić, I.,& Gašić, S.. (2019). Photocatalytic degradation of carbamate insecticides: Effect of different parameters. in Pesticidi i fitomedicina
Institute of Pesticides and Environmental Protection., 34(3-4), 193-200.
https://doi.org/10.2298/PIF1904193T

Tomašević A, Mijin D, Marinković A, Cvijetić I, Gašić S. Photocatalytic degradation of carbamate insecticides: Effect of different parameters. in Pesticidi i fitomedicina. 2019;34(3-4):193-200.
doi:10.2298/PIF1904193T .

Tomašević, Anđelka, Mijin, Dušan, Marinković, Aleksandar, Cvijetić, Ilija, Gašić, Slavica, "Photocatalytic degradation of carbamate insecticides: Effect of different parameters" in Pesticidi i fitomedicina, 34, no. 3-4 (2019):193-200,
https://doi.org/10.2298/PIF1904193T . .

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://TechnoRep.tmf.bg.ac.rs/handle/123456789/4147
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.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study
EP  - 2457
IS  - 6
SP  - 2447
VL  - 30
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.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study",
pages = "2457-2447",
number = "6",
volume = "30",
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
Springer/Plenum Publishers, New York., 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 . .

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://TechnoRep.tmf.bg.ac.rs/handle/123456789/3957
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-VCH Verlag Gmbh, Weinheim
T2  - Chemistryselect
T1  - Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models
EP  - 2221
IS  - 7
SP  - 2215
VL  - 3
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-VCH Verlag Gmbh, Weinheim",
journal = "Chemistryselect",
title = "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models",
pages = "2221-2215",
number = "7",
volume = "3",
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-VCH 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 . .

TY  - JOUR
AU  - Brkić, Dominik R.
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar
AU  - Milčić, Miloš
AU  - Prlainović, Nevena
AU  - Assaleh, Fathi H.
AU  - Cvijetić, Ilija
AU  - Nikolić, Jasmina
AU  - Drmanić, Saša
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3971
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.
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
EP  - 30
SP  - 16
VL  - 196
DO  - 10.1016/j.saa.2018.01.080
ER  - 

@article{
author = "Brkić, Dominik R. and Božić, Aleksandra R. and Marinković, Aleksandar and Milčić, Miloš and Prlainović, Nevena and Assaleh, Fathi H. and Cvijetić, Ilija and Nikolić, Jasmina and Drmanić, Saša",
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.",
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",
pages = "30-16",
volume = "196",
doi = "10.1016/j.saa.2018.01.080"
}

Brkić, D. R., Božić, A. R., Marinković, A., Milčić, M., Prlainović, N., Assaleh, F. H., Cvijetić, I., Nikolić, J.,& Drmanić, S.. (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 M, Prlainović N, Assaleh FH, Cvijetić I, Nikolić J, Drmanić S. 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, Prlainović, Nevena, Assaleh, Fathi H., Cvijetić, Ilija, Nikolić, Jasmina, Drmanić, Saša, "Detailed solvent, structural, quantum chemical study and antimicrobial activity of isatin Schiff base" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 196 (2018):16-30,
https://doi.org/10.1016/j.saa.2018.01.080 . .

TY  - 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://TechnoRep.tmf.bg.ac.rs/handle/123456789/3325
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 Society of Chemistry
T2  - RSC Advances
T1  - Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models
EP  - 104781
IS  - 106
SP  - 104763
VL  - 6
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 Society of Chemistry",
journal = "RSC Advances",
title = "Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models",
pages = "104781-104763",
number = "106",
volume = "6",
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 Society of Chemistry., 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 . .

TY  - JOUR
AU  - Filipović, Nenad R.
AU  - Bjelogrlić, Snežana K.
AU  - Marinković, Aleksandar
AU  - Verbić, Tatjana
AU  - Cvijetić, Ilija
AU  - Senćanski, Milan V.
AU  - Rodić, Marko
AU  - Vujčić, Miroslava T.
AU  - Sladić, Dušan M.
AU  - Striković, Zlatko
AU  - Todorović, Tamara
AU  - Muller, Christian D.
PY  - 2015
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3058
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 Society of Chemistry
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
EP  - 95211
IS  - 115
SP  - 95191
VL  - 5
DO  - 10.1039/c5ra19849f
ER  - 

@article{
author = "Filipović, Nenad R. and Bjelogrlić, Snežana K. and Marinković, Aleksandar and Verbić, Tatjana and Cvijetić, Ilija and Senćanski, Milan V. and Rodić, Marko and Vujčić, Miroslava T. and Sladić, Dušan M. 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 Society of Chemistry",
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",
pages = "95211-95191",
number = "115",
volume = "5",
doi = "10.1039/c5ra19849f"
}

Filipović, N. R., Bjelogrlić, S. K., Marinković, A., Verbić, T., Cvijetić, I., Senćanski, M. V., Rodić, M., Vujčić, M. T., Sladić, D. M., 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 Society of Chemistry., 5(115), 95191-95211.
https://doi.org/10.1039/c5ra19849f

Filipović NR, Bjelogrlić SK, Marinković A, Verbić T, Cvijetić I, Senćanski MV, Rodić M, Vujčić MT, Sladić DM, 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 .

Filipović, Nenad R., Bjelogrlić, Snežana K., Marinković, Aleksandar, Verbić, Tatjana, Cvijetić, Ilija, Senćanski, Milan V., Rodić, Marko, Vujčić, Miroslava T., Sladić, Dušan M., 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 . .