TY  - JOUR
AU  - Gligorijević, Nikola
AU  - Jovanović, Zorana
AU  - Cvijetić, Ilija
AU  - Šunderić, Miloš
AU  - Veličković, Luka
AU  - Katrlík, Jaroslav
AU  - Holazová, Alena
AU  - Nikolić, Milan
AU  - Minić, Simeon
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7298
AB  - Blue C-phycocyanin (C-PC), the major Spirulina protein with innumerable
health-promoting benefits, is an attractive colourant and food supplement. A crucial obstacle to its
more extensive use is its relatively low stability. This study aimed to screen various food-derived
ligands for their ability to bind and stabilise C-PC, utilising spectroscopic techniques and molecular
docking. Among twelve examined ligands, the protein fluorescence quenching revealed that
only quercetin, coenzyme Q10 and resveratrol had a moderate affinity to C-PC (Ka of 2.2 to 3.7 × 105
M–1). Docking revealed these three ligands bind more strongly to the C-PC hexamer than the trimer,
with the binding sites located at the interface of two (αβ)3 trimers. UV/VIS absorption spectroscopy
demonstrated the changes in the C-PC absorption spectra in a complex with quercetin
and resveratrol compared to the spectra of free protein and ligands. Selected ligands did not affect
the secondary structure content, but they induced changes in the tertiary protein structure in the
CD study. A fluorescence-based thermal stability assay demonstrated quercetin and coenzyme Q10
increased the C-PC melting point by nearly 5 °C. Our study identified food-derived ligands that
interact with C-PC and improve its thermal stability, indicating their potential as stabilising agents
for C-PC in the food industry.
PB  - MDPI
T2  - International Journal of Molecular Sciences
T1  - Investigation of the Potential of Selected Food-Derived Antioxidants to Bind and Stabilise the Bioactive Blue Protein C-Phycocyanin from Cyanobacteria Spirulina
VL  - 25
IS  - 1
SP  - 229
DO  - 10.3390/ijms25010229
ER  - 

@article{
author = "Gligorijević, Nikola and Jovanović, Zorana and Cvijetić, Ilija and Šunderić, Miloš and Veličković, Luka and Katrlík, Jaroslav and Holazová, Alena and Nikolić, Milan and Minić, Simeon",
year = "2024",
abstract = "Blue C-phycocyanin (C-PC), the major Spirulina protein with innumerable
health-promoting benefits, is an attractive colourant and food supplement. A crucial obstacle to its
more extensive use is its relatively low stability. This study aimed to screen various food-derived
ligands for their ability to bind and stabilise C-PC, utilising spectroscopic techniques and molecular
docking. Among twelve examined ligands, the protein fluorescence quenching revealed that
only quercetin, coenzyme Q10 and resveratrol had a moderate affinity to C-PC (Ka of 2.2 to 3.7 × 105
M–1). Docking revealed these three ligands bind more strongly to the C-PC hexamer than the trimer,
with the binding sites located at the interface of two (αβ)3 trimers. UV/VIS absorption spectroscopy
demonstrated the changes in the C-PC absorption spectra in a complex with quercetin
and resveratrol compared to the spectra of free protein and ligands. Selected ligands did not affect
the secondary structure content, but they induced changes in the tertiary protein structure in the
CD study. A fluorescence-based thermal stability assay demonstrated quercetin and coenzyme Q10
increased the C-PC melting point by nearly 5 °C. Our study identified food-derived ligands that
interact with C-PC and improve its thermal stability, indicating their potential as stabilising agents
for C-PC in the food industry.",
publisher = "MDPI",
journal = "International Journal of Molecular Sciences",
title = "Investigation of the Potential of Selected Food-Derived Antioxidants to Bind and Stabilise the Bioactive Blue Protein C-Phycocyanin from Cyanobacteria Spirulina",
volume = "25",
number = "1",
pages = "229",
doi = "10.3390/ijms25010229"
}

Gligorijević, N., Jovanović, Z., Cvijetić, I., Šunderić, M., Veličković, L., Katrlík, J., Holazová, A., Nikolić, M.,& Minić, S.. (2024). Investigation of the Potential of Selected Food-Derived Antioxidants to Bind and Stabilise the Bioactive Blue Protein C-Phycocyanin from Cyanobacteria Spirulina. in International Journal of Molecular Sciences
MDPI., 25(1), 229.
https://doi.org/10.3390/ijms25010229

Gligorijević N, Jovanović Z, Cvijetić I, Šunderić M, Veličković L, Katrlík J, Holazová A, Nikolić M, Minić S. Investigation of the Potential of Selected Food-Derived Antioxidants to Bind and Stabilise the Bioactive Blue Protein C-Phycocyanin from Cyanobacteria Spirulina. in International Journal of Molecular Sciences. 2024;25(1):229.
doi:10.3390/ijms25010229 .

Gligorijević, Nikola, Jovanović, Zorana, Cvijetić, Ilija, Šunderić, Miloš, Veličković, Luka, Katrlík, Jaroslav, Holazová, Alena, Nikolić, Milan, Minić, Simeon, "Investigation of the Potential of Selected Food-Derived Antioxidants to Bind and Stabilise the Bioactive Blue Protein C-Phycocyanin from Cyanobacteria Spirulina" in International Journal of Molecular Sciences, 25, no. 1 (2024):229,
https://doi.org/10.3390/ijms25010229 . .

TY  - JOUR
AU  - Platanić Arizanović, Lena
AU  - Gligorijević, Nikola
AU  - Cvijetić, Ilija
AU  - Mijatović, Aleksandar
AU  - Krstić Ristivojević, Maja
AU  - Minić, Simeon
AU  - Nikolić Kokić, Aleksandra
AU  - Miljević, Čedo
AU  - Nikolić, Milan
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6482
AB  - Packed with hemoglobin, an essential protein for oxygen transport, human erythrocytes
are a suitable model system for testing the pleiotropic effects of lipophilic drugs. Our study investigated the interaction between antipsychotic drugs clozapine, ziprasidone, sertindole, and human hemoglobin under simulated physiological conditions. Analysis of protein fluorescence quenching at different temperatures and data obtained from the van’t Hoff diagram and molecular docking indicate that the interactions are static and that the tetrameric human hemoglobin has one binding site for all drugs in the central cavity near αβ  interfaces and is dominantly mediated through hydrophobic forces. The association constants were lower-moderate strength (~10^4 M^-1), the highest observed for clozapine (2.2 x 10^4 M^-1 at 25 °C). The clozapine binding showed “friendly” effects: increased α-helical content, a higher melting point, and protein protection from free radical-mediated oxidation. On the other hand, bound ziprasidone and sertindole had a slightly pro-oxidative effect, increasing ferrihemoglobin content, a possible “foe”. Since the interaction of proteins with drugs plays a vital role in their pharmacokinetic and pharmacodynamic properties, the physiological significance of the obtained findings is briefly discussed.
PB  - Multidisciplinary Digital Publishing Institute (MDPI)
T2  - International Journal of Molecular Sciences
T1  - Human Hemoglobin and Antipsychotics Clozapine, Ziprasidone and Sertindole: Friends or Foes?
VL  - 24
IS  - 10
SP  - 8921
DO  - 10.3390/ijms24108921
ER  - 

@article{
author = "Platanić Arizanović, Lena and Gligorijević, Nikola and Cvijetić, Ilija and Mijatović, Aleksandar and Krstić Ristivojević, Maja and Minić, Simeon and Nikolić Kokić, Aleksandra and Miljević, Čedo and Nikolić, Milan",
year = "2023",
abstract = "Packed with hemoglobin, an essential protein for oxygen transport, human erythrocytes
are a suitable model system for testing the pleiotropic effects of lipophilic drugs. Our study investigated the interaction between antipsychotic drugs clozapine, ziprasidone, sertindole, and human hemoglobin under simulated physiological conditions. Analysis of protein fluorescence quenching at different temperatures and data obtained from the van’t Hoff diagram and molecular docking indicate that the interactions are static and that the tetrameric human hemoglobin has one binding site for all drugs in the central cavity near αβ  interfaces and is dominantly mediated through hydrophobic forces. The association constants were lower-moderate strength (~10^4 M^-1), the highest observed for clozapine (2.2 x 10^4 M^-1 at 25 °C). The clozapine binding showed “friendly” effects: increased α-helical content, a higher melting point, and protein protection from free radical-mediated oxidation. On the other hand, bound ziprasidone and sertindole had a slightly pro-oxidative effect, increasing ferrihemoglobin content, a possible “foe”. Since the interaction of proteins with drugs plays a vital role in their pharmacokinetic and pharmacodynamic properties, the physiological significance of the obtained findings is briefly discussed.",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
journal = "International Journal of Molecular Sciences",
title = "Human Hemoglobin and Antipsychotics Clozapine, Ziprasidone and Sertindole: Friends or Foes?",
volume = "24",
number = "10",
pages = "8921",
doi = "10.3390/ijms24108921"
}

Platanić Arizanović, L., Gligorijević, N., Cvijetić, I., Mijatović, A., Krstić Ristivojević, M., Minić, S., Nikolić Kokić, A., Miljević, Č.,& Nikolić, M.. (2023). Human Hemoglobin and Antipsychotics Clozapine, Ziprasidone and Sertindole: Friends or Foes?. in International Journal of Molecular Sciences
Multidisciplinary Digital Publishing Institute (MDPI)., 24(10), 8921.
https://doi.org/10.3390/ijms24108921

Platanić Arizanović L, Gligorijević N, Cvijetić I, Mijatović A, Krstić Ristivojević M, Minić S, Nikolić Kokić A, Miljević Č, Nikolić M. Human Hemoglobin and Antipsychotics Clozapine, Ziprasidone and Sertindole: Friends or Foes?. in International Journal of Molecular Sciences. 2023;24(10):8921.
doi:10.3390/ijms24108921 .

Platanić Arizanović, Lena, Gligorijević, Nikola, Cvijetić, Ilija, Mijatović, Aleksandar, Krstić Ristivojević, Maja, Minić, Simeon, Nikolić Kokić, Aleksandra, Miljević, Čedo, Nikolić, Milan, "Human Hemoglobin and Antipsychotics Clozapine, Ziprasidone and Sertindole: Friends or Foes?" in International Journal of Molecular Sciences, 24, no. 10 (2023):8921,
https://doi.org/10.3390/ijms24108921 . .

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
AU  - Marinković, Aleksandar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5777
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  - Elsevier
T2  - Journal of Environmental Management
T1  - Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study
VL  - 326
SP  - 116838
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 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 = "Elsevier",
journal = "Journal of Environmental Management",
title = "Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study",
volume = "326",
pages = "116838",
doi = "10.1016/j.jenvman.2022.116838"
}

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

Salih R, Veličković Z, Milošević M, Pavlović VP, Cvijetić I, Sofrenić IV, Gržetić J, 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, 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  - Vujatović, Tamara B.
AU  - Vitorović - Todorović, Maja D.
AU  - Cvijetić, Ilija
AU  - Vasović, Tamara
AU  - Nikolić, Milan R.
AU  - Novaković, Irena
AU  - Bjelogrlić, Snežana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4853
AB  - In the present work, the α, β-double bond of the aroylacrylic acid phenylamides was suitably modified to optimize the toxicity–antiproliferative activity ratio of the resulting compounds 1 –5 . The phenylamides were modified by Michael’s addition of suitably chosen piperidine-containing fragments: 1-amino-N- benzylpiperidine ( a1 ), 4-benzylpiperidine ( a2 ), and N , N -dimethyl- N -[2-(1-piperazinyl)-ethyl]amine ( a3 ). The compounds exerted micromolar activity toward three cancer cell lines, A549, LoVo, and Skov-3, caus- ing apoptotic cell death. It was shown that the nature of the cyclic amine moiety at position C2 of the compounds is probably the primary determinant of anticancer activity toward tested cell lines and the acute toxicity toward brine shrimp ( Artemia salina ). The majority of compounds revealed the ability to vigorously induce mitochondrial superoxide anion generation in all treated cell lines, which together with cell cycle arrest at the S phase and activation of intrinsic caspase cascade, indicates the possibility that apoptosis was triggered due to irreparable chromosomal damage by acute oxidative stress. Two deriva- tives also exerted significant antibacterial activity with one order of magnitude higher potency than chlo- ramphenicol in most of the investigated bacterial strains. Also, the drug-like properties for all compounds were estimated by available software tools.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines
VL  - 1250
SP  - 131702
DO  - 10.1016/j.molstruc.2021.131702
ER  - 

@article{
author = "Vujatović, Tamara B. and Vitorović - Todorović, Maja D. and Cvijetić, Ilija and Vasović, Tamara and Nikolić, Milan R. and Novaković, Irena and Bjelogrlić, Snežana",
year = "2022",
abstract = "In the present work, the α, β-double bond of the aroylacrylic acid phenylamides was suitably modified to optimize the toxicity–antiproliferative activity ratio of the resulting compounds 1 –5 . The phenylamides were modified by Michael’s addition of suitably chosen piperidine-containing fragments: 1-amino-N- benzylpiperidine ( a1 ), 4-benzylpiperidine ( a2 ), and N , N -dimethyl- N -[2-(1-piperazinyl)-ethyl]amine ( a3 ). The compounds exerted micromolar activity toward three cancer cell lines, A549, LoVo, and Skov-3, caus- ing apoptotic cell death. It was shown that the nature of the cyclic amine moiety at position C2 of the compounds is probably the primary determinant of anticancer activity toward tested cell lines and the acute toxicity toward brine shrimp ( Artemia salina ). The majority of compounds revealed the ability to vigorously induce mitochondrial superoxide anion generation in all treated cell lines, which together with cell cycle arrest at the S phase and activation of intrinsic caspase cascade, indicates the possibility that apoptosis was triggered due to irreparable chromosomal damage by acute oxidative stress. Two deriva- tives also exerted significant antibacterial activity with one order of magnitude higher potency than chlo- ramphenicol in most of the investigated bacterial strains. Also, the drug-like properties for all compounds were estimated by available software tools.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines",
volume = "1250",
pages = "131702",
doi = "10.1016/j.molstruc.2021.131702"
}

Vujatović, T. B., Vitorović - Todorović, M. D., Cvijetić, I., Vasović, T., Nikolić, M. R., Novaković, I.,& Bjelogrlić, S.. (2022). Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines. in Journal of Molecular Structure
Elsevier., 1250, 131702.
https://doi.org/10.1016/j.molstruc.2021.131702

Vujatović TB, Vitorović - Todorović MD, Cvijetić I, Vasović T, Nikolić MR, Novaković I, Bjelogrlić S. Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines. in Journal of Molecular Structure. 2022;1250:131702.
doi:10.1016/j.molstruc.2021.131702 .

Vujatović, Tamara B., Vitorović - Todorović, Maja D., Cvijetić, Ilija, Vasović, Tamara, Nikolić, Milan R., Novaković, Irena, Bjelogrlić, Snežana, "Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines" in Journal of Molecular Structure, 1250 (2022):131702,
https://doi.org/10.1016/j.molstruc.2021.131702 . .

TY  - JOUR
AU  - Vujatović, Tamara B.
AU  - Vitorović - Todorović, Maja D.
AU  - Cvijetić, Ilija
AU  - Vasović, Tamara
AU  - Nikolić, Milan R.
AU  - Novaković, Irena
AU  - Bjelogrlić, Snežana
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4857
AB  - In the present work, the α, β-double bond of the aroylacrylic acid phenylamides was suitably modified to optimize the toxicity–antiproliferative activity ratio of the resulting compounds 1 –5 . The phenylamides were modified by Michael’s addition of suitably chosen piperidine-containing fragments: 1-amino-N- benzylpiperidine ( a1 ), 4-benzylpiperidine ( a2 ), and N , N -dimethyl- N -[2-(1-piperazinyl)-ethyl]amine ( a3 ). The compounds exerted micromolar activity toward three cancer cell lines, A549, LoVo, and Skov-3, caus- ing apoptotic cell death. It was shown that the nature of the cyclic amine moiety at position C2 of the compounds is probably the primary determinant of anticancer activity toward tested cell lines and the acute toxicity toward brine shrimp ( Artemia salina ). The majority of compounds revealed the ability to vigorously induce mitochondrial superoxide anion generation in all treated cell lines, which together with cell cycle arrest at the S phase and activation of intrinsic caspase cascade, indicates the possibility that apoptosis was triggered due to irreparable chromosomal damage by acute oxidative stress. Two deriva- tives also exerted significant antibacterial activity with one order of magnitude higher potency than chlo- ramphenicol in most of the investigated bacterial strains. Also, the drug-like properties for all compounds were estimated by available software tools.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines
VL  - 1250
SP  - 131702
DO  - 10.1016/j.molstruc.2021.131702
ER  - 

@article{
author = "Vujatović, Tamara B. and Vitorović - Todorović, Maja D. and Cvijetić, Ilija and Vasović, Tamara and Nikolić, Milan R. and Novaković, Irena and Bjelogrlić, Snežana",
year = "2022",
abstract = "In the present work, the α, β-double bond of the aroylacrylic acid phenylamides was suitably modified to optimize the toxicity–antiproliferative activity ratio of the resulting compounds 1 –5 . The phenylamides were modified by Michael’s addition of suitably chosen piperidine-containing fragments: 1-amino-N- benzylpiperidine ( a1 ), 4-benzylpiperidine ( a2 ), and N , N -dimethyl- N -[2-(1-piperazinyl)-ethyl]amine ( a3 ). The compounds exerted micromolar activity toward three cancer cell lines, A549, LoVo, and Skov-3, caus- ing apoptotic cell death. It was shown that the nature of the cyclic amine moiety at position C2 of the compounds is probably the primary determinant of anticancer activity toward tested cell lines and the acute toxicity toward brine shrimp ( Artemia salina ). The majority of compounds revealed the ability to vigorously induce mitochondrial superoxide anion generation in all treated cell lines, which together with cell cycle arrest at the S phase and activation of intrinsic caspase cascade, indicates the possibility that apoptosis was triggered due to irreparable chromosomal damage by acute oxidative stress. Two deriva- tives also exerted significant antibacterial activity with one order of magnitude higher potency than chlo- ramphenicol in most of the investigated bacterial strains. Also, the drug-like properties for all compounds were estimated by available software tools.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines",
volume = "1250",
pages = "131702",
doi = "10.1016/j.molstruc.2021.131702"
}

Vujatović, T. B., Vitorović - Todorović, M. D., Cvijetić, I., Vasović, T., Nikolić, M. R., Novaković, I.,& Bjelogrlić, S.. (2022). Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines. in Journal of Molecular Structure
Elsevier., 1250, 131702.
https://doi.org/10.1016/j.molstruc.2021.131702

Vujatović TB, Vitorović - Todorović MD, Cvijetić I, Vasović T, Nikolić MR, Novaković I, Bjelogrlić S. Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines. in Journal of Molecular Structure. 2022;1250:131702.
doi:10.1016/j.molstruc.2021.131702 .

Vujatović, Tamara B., Vitorović - Todorović, Maja D., Cvijetić, Ilija, Vasović, Tamara, Nikolić, Milan R., Novaković, Irena, Bjelogrlić, Snežana, "Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell lines" in Journal of Molecular Structure, 1250 (2022):131702,
https://doi.org/10.1016/j.molstruc.2021.131702 . .

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  - https://cer.ihtm.bg.ac.rs/handle/123456789/4779
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.
PB  - Elsevier
T2  - Industrial Crops & Products
T1  - Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle
VL  - 171
SP  - 113913
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.",
publisher = "Elsevier",
journal = "Industrial Crops & Products",
title = "Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle",
volume = "171",
pages = "113913",
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 & Products
Elsevier., 171, 113913.
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 & Products. 2021;171:113913.
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 & Products, 171 (2021):113913,
https://doi.org/10.1016/j.indcrop.2021.113913 . .

TY  - CONF
AU  - Milošević, Milena
AU  - Kovačina, Jovanka
AU  - Marunkić, Dunja
AU  - Đuričković, Ivan
AU  - Perendija, Jovana
AU  - Milošević, Dragana
AU  - Cvijetić, Ilija
AU  - Marinković, Aleksandar
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7069
AB  - In this study, the corrosion inhibitory activity of symmetrical bis(imino)pyridine (BIP-16) was tested by the Linear Polarization Resistance (LPR) and Electrochemical Impendence Spectroscopy (EIS) methods on zinc and iron. The investigation was carried out in a neutral and acidic medium of 0.5 M NaCI solution. The temperature-dependent (25-45 °C) inhibitory efficacy of BIP-16 on iron and zinc was tested in an acidic medium (pH 3). Under the same conditions, the time dependence of BIP-16 up to 72 h was examined . Moreover, a synergistic effect of BIP-16 with cerium acetate was also examined in time and temperature (25-45 °C) dependence on zinc (pH 7) and iron (pH 3) in 0.5 M NaCI solution at optimal concentrations. The inhibition efficiency of BIP-16 declined with time on both zinc and iron indicating physisorption. Also, kinetic and thermodynamic parameters of this process were calculated. To gain deeper insights into the inhibitory mechanism of tested compounds, DFT calculations were performed.
PB  - Leskovac : Faculty of Technology
C3  - Book of abstracts - 14th symposium "Novel technologies and economic development", October 22-23 2021, Leskovac
T1  - Eco-friendly bis(imino)pyridine as corrosion inhibitor for iron and zinc in NaCl solution
SP  - 95
EP  - 95
UR  - https://hdl.handle.net/21.15107/rcub_cer_7069
ER  - 

@conference{
author = "Milošević, Milena and Kovačina, Jovanka and Marunkić, Dunja and Đuričković, Ivan and Perendija, Jovana and Milošević, Dragana and Cvijetić, Ilija and Marinković, Aleksandar",
year = "2021",
abstract = "In this study, the corrosion inhibitory activity of symmetrical bis(imino)pyridine (BIP-16) was tested by the Linear Polarization Resistance (LPR) and Electrochemical Impendence Spectroscopy (EIS) methods on zinc and iron. The investigation was carried out in a neutral and acidic medium of 0.5 M NaCI solution. The temperature-dependent (25-45 °C) inhibitory efficacy of BIP-16 on iron and zinc was tested in an acidic medium (pH 3). Under the same conditions, the time dependence of BIP-16 up to 72 h was examined . Moreover, a synergistic effect of BIP-16 with cerium acetate was also examined in time and temperature (25-45 °C) dependence on zinc (pH 7) and iron (pH 3) in 0.5 M NaCI solution at optimal concentrations. The inhibition efficiency of BIP-16 declined with time on both zinc and iron indicating physisorption. Also, kinetic and thermodynamic parameters of this process were calculated. To gain deeper insights into the inhibitory mechanism of tested compounds, DFT calculations were performed.",
publisher = "Leskovac : Faculty of Technology",
journal = "Book of abstracts - 14th symposium "Novel technologies and economic development", October 22-23 2021, Leskovac",
title = "Eco-friendly bis(imino)pyridine as corrosion inhibitor for iron and zinc in NaCl solution",
pages = "95-95",
url = "https://hdl.handle.net/21.15107/rcub_cer_7069"
}

Milošević, M., Kovačina, J., Marunkić, D., Đuričković, I., Perendija, J., Milošević, D., Cvijetić, I.,& Marinković, A.. (2021). Eco-friendly bis(imino)pyridine as corrosion inhibitor for iron and zinc in NaCl solution. in Book of abstracts - 14th symposium "Novel technologies and economic development", October 22-23 2021, Leskovac
Leskovac : Faculty of Technology., 95-95.
https://hdl.handle.net/21.15107/rcub_cer_7069

Milošević M, Kovačina J, Marunkić D, Đuričković I, Perendija J, Milošević D, Cvijetić I, Marinković A. Eco-friendly bis(imino)pyridine as corrosion inhibitor for iron and zinc in NaCl solution. in Book of abstracts - 14th symposium "Novel technologies and economic development", October 22-23 2021, Leskovac. 2021;:95-95.
https://hdl.handle.net/21.15107/rcub_cer_7069 .

Milošević, Milena, Kovačina, Jovanka, Marunkić, Dunja, Đuričković, Ivan, Perendija, Jovana, Milošević, Dragana, Cvijetić, Ilija, Marinković, Aleksandar, "Eco-friendly bis(imino)pyridine as corrosion inhibitor for iron and zinc in NaCl solution" in Book of abstracts - 14th symposium "Novel technologies and economic development", October 22-23 2021, Leskovac (2021):95-95,
https://hdl.handle.net/21.15107/rcub_cer_7069 .

TY  - JOUR
AU  - Perendija, Jovana
AU  - Veličković, Zlate S.
AU  - Cvijetić, Ilija
AU  - Lević, Steva
AU  - Marinković, Aleksandar D.
AU  - Milošević, Milena
AU  - Onjia, Antonije
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4229
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 °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-specific and 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.
PB  - Institution of Chemical Engineers
PB  - Elsevier
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
VL  - 147
SP  - 609
EP  - 625
DO  - 10.1016/j.psep.2020.12.027
ER  - 

@article{
author = "Perendija, Jovana and Veličković, Zlate S. and Cvijetić, Ilija and Lević, Steva and Marinković, Aleksandar D. and Milošević, 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 °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-specific and 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.",
publisher = "Institution of Chemical Engineers, Elsevier",
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",
volume = "147",
pages = "609-625",
doi = "10.1016/j.psep.2020.12.027"
}

Perendija, J., Veličković, Z. S., Cvijetić, I., Lević, S., Marinković, A. D., Milošević, 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
Institution of Chemical Engineers., 147, 609-625.
https://doi.org/10.1016/j.psep.2020.12.027

Perendija J, Veličković ZS, Cvijetić I, Lević S, Marinković AD, Milošević 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, Lević, Steva, Marinković, Aleksandar D., Milošević, 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  - CONF
AU  - Milošević, Milena
AU  - Cvijetić, Ilija
AU  - Božić, Aleksandra
AU  - Prlainović, Nevena
AU  - Bjelogrlić, Snežana
AU  - Popović, Mina
AU  - Marinković, Aleksandar
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6963
AB  - Thiocarbohydrazones and their derivatives represent a class of compounds with various biological and pharmaceutical properties, including strong antioxidant, antitubercular, antimicrobial, and anticancer activity [1]. Therefore, in this work, new asymmetrically substituted bis-(thiocarbohydrazones) (TCHs) bearing 2-pyridine and quinoline moiety were synthesized and showed promising in vitro antioxidant and anticancer activity (Figure1). The results suggest that antioxidant activity of TCH depends on the structure, substituent type and antioxidant assay used. The maximum antioxidant activity in DPPH and CUPRAC tests was observed for compound with 8-quinolyl and 8-hydroxy-2quinolyl moiety. Additionally, anticancer assays revealed that compounds interfere with cancer cell mobility at concentrations below 10 μM, and exert low toxicity toward healthy human HaCaT fibroblasts. The results of this study represent a good foundation for further research and development of novel iminopyridines with improved antioxidant and anticancer activity.
PB  - Hellenic Society of Medicinal Chemistry (HSMC)
C3  - 18th Hellenic Symposium on Medicinal Chemistry, on-line, Greece, 25-27 February 2021
T1  - Experimental study of antioxidant and anticancer activity of new asymmetrically substituted thiocarbohydrazones
SP  - P065
UR  - https://hdl.handle.net/21.15107/rcub_cer_6963
ER  - 

@conference{
author = "Milošević, Milena and Cvijetić, Ilija and Božić, Aleksandra and Prlainović, Nevena and Bjelogrlić, Snežana and Popović, Mina and Marinković, Aleksandar",
year = "2021",
abstract = "Thiocarbohydrazones and their derivatives represent a class of compounds with various biological and pharmaceutical properties, including strong antioxidant, antitubercular, antimicrobial, and anticancer activity [1]. Therefore, in this work, new asymmetrically substituted bis-(thiocarbohydrazones) (TCHs) bearing 2-pyridine and quinoline moiety were synthesized and showed promising in vitro antioxidant and anticancer activity (Figure1). The results suggest that antioxidant activity of TCH depends on the structure, substituent type and antioxidant assay used. The maximum antioxidant activity in DPPH and CUPRAC tests was observed for compound with 8-quinolyl and 8-hydroxy-2quinolyl moiety. Additionally, anticancer assays revealed that compounds interfere with cancer cell mobility at concentrations below 10 μM, and exert low toxicity toward healthy human HaCaT fibroblasts. The results of this study represent a good foundation for further research and development of novel iminopyridines with improved antioxidant and anticancer activity.",
publisher = "Hellenic Society of Medicinal Chemistry (HSMC)",
journal = "18th Hellenic Symposium on Medicinal Chemistry, on-line, Greece, 25-27 February 2021",
title = "Experimental study of antioxidant and anticancer activity of new asymmetrically substituted thiocarbohydrazones",
pages = "P065",
url = "https://hdl.handle.net/21.15107/rcub_cer_6963"
}

Milošević, M., Cvijetić, I., Božić, A., Prlainović, N., Bjelogrlić, S., Popović, M.,& Marinković, A.. (2021). Experimental study of antioxidant and anticancer activity of new asymmetrically substituted thiocarbohydrazones. in 18th Hellenic Symposium on Medicinal Chemistry, on-line, Greece, 25-27 February 2021
Hellenic Society of Medicinal Chemistry (HSMC)., P065.
https://hdl.handle.net/21.15107/rcub_cer_6963

Milošević M, Cvijetić I, Božić A, Prlainović N, Bjelogrlić S, Popović M, Marinković A. Experimental study of antioxidant and anticancer activity of new asymmetrically substituted thiocarbohydrazones. in 18th Hellenic Symposium on Medicinal Chemistry, on-line, Greece, 25-27 February 2021. 2021;:P065.
https://hdl.handle.net/21.15107/rcub_cer_6963 .

Milošević, Milena, Cvijetić, Ilija, Božić, Aleksandra, Prlainović, Nevena, Bjelogrlić, Snežana, Popović, Mina, Marinković, Aleksandar, "Experimental study of antioxidant and anticancer activity of new asymmetrically substituted thiocarbohydrazones" in 18th Hellenic Symposium on Medicinal Chemistry, on-line, Greece, 25-27 February 2021 (2021):P065,
https://hdl.handle.net/21.15107/rcub_cer_6963 .

TY  - JOUR
AU  - Perendija, Jovana
AU  - Veličković, Zlate S.
AU  - Cvijetić, Ilija
AU  - Rusmirović, Jelena
AU  - Ugrinović, Vukašin
AU  - Marinković, Aleksandar D.
AU  - Onjia, Antonije E.
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3633
AB  - 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-NH2 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
T2  - Cellulose
T1  - Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane
VL  - 27
SP  - 8215
EP  - 8235
DO  - 10.1007/s10570-020-03352-x
ER  - 

@article{
author = "Perendija, Jovana and Veličković, Zlate S. and Cvijetić, Ilija and Rusmirović, Jelena and Ugrinović, Vukašin and Marinković, Aleksandar D. and Onjia, Antonije E.",
year = "2020",
abstract = "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-NH2 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",
journal = "Cellulose",
title = "Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane",
volume = "27",
pages = "8215-8235",
doi = "10.1007/s10570-020-03352-x"
}

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

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

Perendija, Jovana, Veličković, Zlate S., Cvijetić, Ilija, Rusmirović, Jelena, Ugrinović, Vukašin, Marinković, Aleksandar D., Onjia, Antonije E., "Batch and column adsorption of cations, oxyanions and dyes on a magnetite modified cellulose-based membrane" in Cellulose, 27 (2020):8215-8235,
https://doi.org/10.1007/s10570-020-03352-x . .

TY  - JOUR
AU  - Milošević, Milena D.
AU  - Marinković, Aleksandar D.
AU  - Petrović, Predrag
AU  - Klaus, Anita
AU  - Nikolić, Milica G.
AU  - Prlainović, Nevena Ž.
AU  - Cvijetić, Ilija
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3627
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. 1H and 13C 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 ωB97XD/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 μM), 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  - Elsevier
T2  - Bioorganic Chemistry
T1  - Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents
VL  - 102
SP  - 104073
DO  - 10.1016/j.bioorg.2020.104073
ER  - 

@article{
author = "Milošević, Milena D. and Marinković, Aleksandar D. and Petrović, Predrag and Klaus, Anita and Nikolić, Milica G. and Prlainović, Nevena Ž. 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. 1H and 13C 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 ωB97XD/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 μM), 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 = "Elsevier",
journal = "Bioorganic Chemistry",
title = "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents",
volume = "102",
pages = "104073",
doi = "10.1016/j.bioorg.2020.104073"
}

Milošević, M. D., Marinković, A. D., Petrović, P., Klaus, A., Nikolić, M. G., Prlainović, N. Ž.,& Cvijetić, I.. (2020). Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents. in Bioorganic Chemistry
Elsevier., 102, 104073.
https://doi.org/10.1016/j.bioorg.2020.104073

Milošević MD, Marinković AD, Petrović P, Klaus A, Nikolić MG, Prlainović NŽ, Cvijetić I. Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents. in Bioorganic Chemistry. 2020;102:104073.
doi:10.1016/j.bioorg.2020.104073 .

Milošević, Milena D., Marinković, Aleksandar D., Petrović, Predrag, Klaus, Anita, Nikolić, Milica G., Prlainović, Nevena Ž., Cvijetić, Ilija, "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents" in Bioorganic Chemistry, 102 (2020):104073,
https://doi.org/10.1016/j.bioorg.2020.104073 . .

TY  - JOUR
AU  - Milošević, Milena D.
AU  - Marinković, Aleksandar D.
AU  - Petrović, Predrag
AU  - Klaus, Anita
AU  - Nikolić, Milica G.
AU  - Prlainović, Nevena Ž.
AU  - Cvijetić, Ilija
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3630
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. 1H and 13C 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 ωB97XD/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 μM), while molecular docking suggested binding at the peripheral anionic site of AChE with theMMFF94 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  - Elsevier
T2  - Bioorganic Chemistry
T1  - Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents
VL  - 102
SP  - 104073
DO  - 10.1016/j.bioorg.2020.104073
ER  - 

@article{
author = "Milošević, Milena D. and Marinković, Aleksandar D. and Petrović, Predrag and Klaus, Anita and Nikolić, Milica G. and Prlainović, Nevena Ž. 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. 1H and 13C 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 ωB97XD/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 μM), while molecular docking suggested binding at the peripheral anionic site of AChE with theMMFF94 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 = "Elsevier",
journal = "Bioorganic Chemistry",
title = "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents",
volume = "102",
pages = "104073",
doi = "10.1016/j.bioorg.2020.104073"
}

Milošević, M. D., Marinković, A. D., Petrović, P., Klaus, A., Nikolić, M. G., Prlainović, N. Ž.,& Cvijetić, I.. (2020). Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents. in Bioorganic Chemistry
Elsevier., 102, 104073.
https://doi.org/10.1016/j.bioorg.2020.104073

Milošević MD, Marinković AD, Petrović P, Klaus A, Nikolić MG, Prlainović NŽ, Cvijetić I. Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents. in Bioorganic Chemistry. 2020;102:104073.
doi:10.1016/j.bioorg.2020.104073 .

Milošević, Milena D., Marinković, Aleksandar D., Petrović, Predrag, Klaus, Anita, Nikolić, Milica G., Prlainović, Nevena Ž., Cvijetić, Ilija, "Synthesis, characterization and SAR studies of bis(imino)pyridines as antioxidants, acetylcholinesterase inhibitors and antimicrobial agents" in Bioorganic Chemistry, 102 (2020):104073,
https://doi.org/10.1016/j.bioorg.2020.104073 . .

TY  - JOUR
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Rodić, Marko V.
AU  - Vujčić, Miroslava
AU  - Marković, Sanja
AU  - Araskov, Jovana
AU  - Janović, Barbara
AU  - Emhemmed, Fathi
AU  - Muller, Christian D.
AU  - Filipovic, Nenad R.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2493
AB  - A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 M induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer.
PB  - Elsevier Science Inc, New York
T2  - Journal of Inorganic Biochemistry
T1  - A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells
VL  - 190
SP  - 45
EP  - 66
DO  - 10.1016/j.jinorgbio.2018.10.002
ER  - 

@article{
author = "Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Rodić, Marko V. and Vujčić, Miroslava and Marković, Sanja and Araskov, Jovana and Janović, Barbara and Emhemmed, Fathi and Muller, Christian D. and Filipovic, Nenad R.",
year = "2019",
abstract = "A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 M induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Inorganic Biochemistry",
title = "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells",
volume = "190",
pages = "45-66",
doi = "10.1016/j.jinorgbio.2018.10.002"
}

Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Rodić, M. V., Vujčić, M., Marković, S., Araskov, J., Janović, B., Emhemmed, F., Muller, C. D.,& Filipovic, N. R.. (2019). A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. in Journal of Inorganic Biochemistry
Elsevier Science Inc, New York., 190, 45-66.
https://doi.org/10.1016/j.jinorgbio.2018.10.002

Bjelogrlić SK, Todorović T, Cvijetić I, Rodić MV, Vujčić M, Marković S, Araskov J, Janović B, Emhemmed F, Muller CD, Filipovic NR. A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. in Journal of Inorganic Biochemistry. 2019;190:45-66.
doi:10.1016/j.jinorgbio.2018.10.002 .

Bjelogrlić, Snežana K., Todorović, Tamara, Cvijetić, Ilija, Rodić, Marko V., Vujčić, Miroslava, Marković, Sanja, Araskov, Jovana, Janović, Barbara, Emhemmed, Fathi, Muller, Christian D., Filipovic, Nenad R., "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells" in Journal of Inorganic Biochemistry, 190 (2019):45-66,
https://doi.org/10.1016/j.jinorgbio.2018.10.002 . .

TY  - JOUR
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Rodić, Marko V.
AU  - Vujčić, Miroslava
AU  - Marković, Sanja
AU  - Araskov, Jovana
AU  - Janović, Barbara
AU  - Emhemmed, Fathi
AU  - Muller, Christian D.
AU  - Filipović, Nenad R.
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2623
AB  - A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 M induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer.
PB  - Elsevier Science Inc, New York
T2  - Journal of Inorganic Biochemistry
T1  - A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells
VL  - 190
SP  - 45
EP  - 66
DO  - 10.1016/j.jinorgbio.2018.10.002
ER  - 

@article{
author = "Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Rodić, Marko V. and Vujčić, Miroslava and Marković, Sanja and Araskov, Jovana and Janović, Barbara and Emhemmed, Fathi and Muller, Christian D. and Filipović, Nenad R.",
year = "2019",
abstract = "A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 M induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Inorganic Biochemistry",
title = "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells",
volume = "190",
pages = "45-66",
doi = "10.1016/j.jinorgbio.2018.10.002"
}

Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Rodić, M. V., Vujčić, M., Marković, S., Araskov, J., Janović, B., Emhemmed, F., Muller, C. D.,& Filipović, N. R.. (2019). A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. in Journal of Inorganic Biochemistry
Elsevier Science Inc, New York., 190, 45-66.
https://doi.org/10.1016/j.jinorgbio.2018.10.002

Bjelogrlić SK, Todorović T, Cvijetić I, Rodić MV, Vujčić M, Marković S, Araskov J, Janović B, Emhemmed F, Muller CD, Filipović NR. A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. in Journal of Inorganic Biochemistry. 2019;190:45-66.
doi:10.1016/j.jinorgbio.2018.10.002 .

Bjelogrlić, Snežana K., Todorović, Tamara, Cvijetić, Ilija, Rodić, Marko V., Vujčić, Miroslava, Marković, Sanja, Araskov, Jovana, Janović, Barbara, Emhemmed, Fathi, Muller, Christian D., Filipović, Nenad R., "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells" in Journal of Inorganic Biochemistry, 190 (2019):45-66,
https://doi.org/10.1016/j.jinorgbio.2018.10.002 . .

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana
AU  - Milošević, Milena D.
AU  - Simić, Milena R.
AU  - Marinković, Aleksandar D.
AU  - Cvijetić, Ilija
PY  - 2019
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3037
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
T2  - Structural Chemistry
T1  - Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study
VL  - 30
SP  - 2447
EP  - 2457
DO  - 10.1007/s11224-019-01371-4
ER  - 

@article{
author = "Assaleh, Mohamed H. and Božić, Aleksandra R. and Bjelogrlić, Snežana and Milošević, Milena D. and Simić, Milena R. and Marinković, Aleksandar D. 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",
journal = "Structural Chemistry",
title = "Water-induced isomerism of salicylaldehyde and 2-acetylpyridine mono- and bis-(thiocarbohydrazones) improves the antioxidant activity: spectroscopic and DFT study",
volume = "30",
pages = "2447-2457",
doi = "10.1007/s11224-019-01371-4"
}

Assaleh, M. H., Božić, A. R., Bjelogrlić, S., Milošević, M. D., Simić, M. R., Marinković, A. D.,& 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., 30, 2447-2457.
https://doi.org/10.1007/s11224-019-01371-4

Assaleh MH, Božić AR, Bjelogrlić S, Milošević MD, Simić MR, Marinković AD, 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;30:2447-2457.
doi:10.1007/s11224-019-01371-4 .

Assaleh, Mohamed H., Božić, Aleksandra R., Bjelogrlić, Snežana, Milošević, Milena D., Simić, Milena R., Marinković, Aleksandar D., 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 (2019):2447-2457,
https://doi.org/10.1007/s11224-019-01371-4 . .

TY  - JOUR
AU  - Marković, Olivera
AU  - Cvijetić, Ilija
AU  - Zlatović, Mario
AU  - Opsenica, Igor
AU  - Konstantinović, Jelena M.
AU  - Terzić-Jovanović, Nataša
AU  - Šolaja, Bogdan
AU  - Verbić, Tatjana
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2472
AB  - Interactions between eight in-house synthesized aminoquinolines, along with well-known chloroquine, and human serum albumin (HSA) have been studied by fluorescence spectroscopy. The synthesized aminoquinolines, despite being structurally diverse, were found to be very potent antimalarials. Fluorescence measurements indicate that three compounds having additional thiophene or benzothiophene substructure bind more strongly to HSA than other studied compounds. Competitive binding experiments indicate that these three compounds bind significantly stronger to warfarin compared to diazepam binding site. Fluorescence quenching at three temperatures (20, 25, and 37 degrees C) was analyzed using classical Stern-Volmer equation, and a static quenching mechanism was proposed. The enthalpy and entropy changes upon sulphur-containing compound-HSA interactions were calculated using Van't Hoff equation. Positive values of enthalpy and entropy changes indicate that non-specific, hydrophobic interactions are the main contributors to HSA-compound interaction. Molecular docking and calculated lipophilicity descriptors indicate the same, pointing out that the increased lipophilicity of sulphur-containing compounds might be a reason for their better binding to HSA. Obtained results might contribute to design of novel derivatives with improved-pharmacokinetic properties and drug efficacy.
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
T1  - Human serum albumin binding of certain antimalarials
VL  - 192
SP  - 128
EP  - 139
DO  - 10.1016/j.saa.2017.10.061
ER  - 

@article{
author = "Marković, Olivera and Cvijetić, Ilija and Zlatović, Mario and Opsenica, Igor and Konstantinović, Jelena M. and Terzić-Jovanović, Nataša and Šolaja, Bogdan and Verbić, Tatjana",
year = "2018",
abstract = "Interactions between eight in-house synthesized aminoquinolines, along with well-known chloroquine, and human serum albumin (HSA) have been studied by fluorescence spectroscopy. The synthesized aminoquinolines, despite being structurally diverse, were found to be very potent antimalarials. Fluorescence measurements indicate that three compounds having additional thiophene or benzothiophene substructure bind more strongly to HSA than other studied compounds. Competitive binding experiments indicate that these three compounds bind significantly stronger to warfarin compared to diazepam binding site. Fluorescence quenching at three temperatures (20, 25, and 37 degrees C) was analyzed using classical Stern-Volmer equation, and a static quenching mechanism was proposed. The enthalpy and entropy changes upon sulphur-containing compound-HSA interactions were calculated using Van't Hoff equation. Positive values of enthalpy and entropy changes indicate that non-specific, hydrophobic interactions are the main contributors to HSA-compound interaction. Molecular docking and calculated lipophilicity descriptors indicate the same, pointing out that the increased lipophilicity of sulphur-containing compounds might be a reason for their better binding to HSA. Obtained results might contribute to design of novel derivatives with improved-pharmacokinetic properties and drug efficacy.",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy",
title = "Human serum albumin binding of certain antimalarials",
volume = "192",
pages = "128-139",
doi = "10.1016/j.saa.2017.10.061"
}

Marković, O., Cvijetić, I., Zlatović, M., Opsenica, I., Konstantinović, J. M., Terzić-Jovanović, N., Šolaja, B.,& Verbić, T.. (2018). Human serum albumin binding of certain antimalarials. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
Oxford : Pergamon-Elsevier Science Ltd., 192, 128-139.
https://doi.org/10.1016/j.saa.2017.10.061

Marković O, Cvijetić I, Zlatović M, Opsenica I, Konstantinović JM, Terzić-Jovanović N, Šolaja B, Verbić T. Human serum albumin binding of certain antimalarials. in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. 2018;192:128-139.
doi:10.1016/j.saa.2017.10.061 .

Marković, Olivera, Cvijetić, Ilija, Zlatović, Mario, Opsenica, Igor, Konstantinović, Jelena M., Terzić-Jovanović, Nataša, Šolaja, Bogdan, Verbić, Tatjana, "Human serum albumin binding of certain antimalarials" in Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 192 (2018):128-139,
https://doi.org/10.1016/j.saa.2017.10.061 . .

TY  - DATA
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Novaković, Irena
AU  - Filipovic, Nenad R.
AU  - Petrović, Predrag M.
AU  - Marinković, Aleksandar D.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4480
AB  - Table S1. Statistics of the PCA model generated after 2 FFD cycle. Table S2. Statistics of 3LV PLS model applying different CV procedures. Table S3. Statistics of the PCA model generated after 2 FFD cycle. Table S4. Statistics of 2LV PLS model applying different CV procedures. Experimental Section: materials, methods, general procedure for synthesis of m-TCHs 1-11, general procedure for synthesis of b-TCHs 12-22,. Antimicrobial activity: agar diffusion method, Broth microdilution antimicrobial assay. Alignment-independent 3D QSAR models. Figure S1. 1H NMR spectrum of 3 in DMSO-d6. Figure S2.13C NMR spectrum of 3 in DMSO-d6. Figure S3. 1H NMR spectrum of 4 in DMSO-d6. Figure S4.13C NMR spectrum of 4 in DMSO-d6. Figure S5. 1H NMR spectrum of 6 in DMSO-d6. Figure S6.13C NMR spectrum of 6 in DMSO-d6. Additional references.
PB  - Wiley
T2  - Chemistryselect
T1  - Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"
UR  - https://hdl.handle.net/21.15107/rcub_cer_4480
ER  - 

@misc{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena and Filipovic, Nenad R. and Petrović, Predrag M. and Marinković, Aleksandar D. and Todorović, Tamara and Cvijetić, Ilija",
year = "2018",
abstract = "Table S1. Statistics of the PCA model generated after 2 FFD cycle. Table S2. Statistics of 3LV PLS model applying different CV procedures. Table S3. Statistics of the PCA model generated after 2 FFD cycle. Table S4. Statistics of 2LV PLS model applying different CV procedures. Experimental Section: materials, methods, general procedure for synthesis of m-TCHs 1-11, general procedure for synthesis of b-TCHs 12-22,. Antimicrobial activity: agar diffusion method, Broth microdilution antimicrobial assay. Alignment-independent 3D QSAR models. Figure S1. 1H NMR spectrum of 3 in DMSO-d6. Figure S2.13C NMR spectrum of 3 in DMSO-d6. Figure S3. 1H NMR spectrum of 4 in DMSO-d6. Figure S4.13C NMR spectrum of 4 in DMSO-d6. Figure S5. 1H NMR spectrum of 6 in DMSO-d6. Figure S6.13C NMR spectrum of 6 in DMSO-d6. Additional references.",
publisher = "Wiley",
journal = "Chemistryselect",
title = "Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"",
url = "https://hdl.handle.net/21.15107/rcub_cer_4480"
}

Božić, A. R., Bjelogrlić, S. K., Novaković, I., Filipovic, N. R., Petrović, P. M., Marinković, A. D., Todorović, T.,& Cvijetić, I.. (2018). Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models". in Chemistryselect
Wiley..
https://hdl.handle.net/21.15107/rcub_cer_4480

Božić AR, Bjelogrlić SK, Novaković I, Filipovic NR, Petrović PM, Marinković AD, Todorović T, Cvijetić I. Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models". in Chemistryselect. 2018;.
https://hdl.handle.net/21.15107/rcub_cer_4480 .

Božić, Aleksandra R., Bjelogrlić, Snežana K., Novaković, Irena, Filipovic, Nenad R., Petrović, Predrag M., Marinković, Aleksandar D., Todorović, Tamara, Cvijetić, Ilija, "Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"" in Chemistryselect (2018),
https://hdl.handle.net/21.15107/rcub_cer_4480 .

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana K.
AU  - Novaković, Irena
AU  - Filipovic, Nenad R.
AU  - Petrović, Predrag M.
AU  - Marinković, Aleksandar D.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2329
AB  - Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemistryselect
T1  - Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models
VL  - 3
IS  - 7
SP  - 2215
EP  - 2221
DO  - 10.1002/slct.201702691
ER  - 

@article{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena and Filipovic, Nenad R. and Petrović, Predrag M. and Marinković, Aleksandar D. and Todorović, Tamara and Cvijetić, Ilija",
year = "2018",
abstract = "Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemistryselect",
title = "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models",
volume = "3",
number = "7",
pages = "2215-2221",
doi = "10.1002/slct.201702691"
}

Božić, A. R., Bjelogrlić, S. K., Novaković, I., Filipovic, N. R., Petrović, P. M., Marinković, A. D., Todorović, T.,& Cvijetić, I.. (2018). Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. in Chemistryselect
Wiley-V C H Verlag Gmbh, Weinheim., 3(7), 2215-2221.
https://doi.org/10.1002/slct.201702691

Božić AR, Bjelogrlić SK, Novaković I, Filipovic NR, Petrović PM, Marinković AD, 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, Filipovic, Nenad R., Petrović, Predrag M., Marinković, Aleksandar D., 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  - Cvijetić, Ilija
AU  - Pešić, Miloš P.
AU  - Todorov, Miljana D.
AU  - Drakulić, Branko
AU  - Juranić, Ivan
AU  - Verbić, Tatjana
AU  - Zloh, Mire
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2693
AB  - Aryldiketo acids (ADKs) exhibit the variety of biological activities, mainly due to large affinity toward divalent metal ions. Metal complexation ability of ADKs, as well as interactions with proteins, depend on tautomeric form present in solution. The main aim of this study was to fully explore the tautomeric preferences of 4-phenyl-2,4-dioxobutanoic acid (4PDA), as ADKs representative, in aqueous media at different pH values. 1D and 2D NMR spectroscopy in combination with quantum chemical calculations was applied in order to better understand the tautomeric preferences of 4PDA. The data in highly acidic media are especially interesting since there are no such findings in the literature due to low solubility of ADKs in molecular form. At low pH values, where 4PDA is unionized, the most abundant tautomeric form is enol with keto group closer to phenyl ring. At higher pH values, mixture of two 4PDA ionic forms coexists in solution. Their ratio calculated according to NMR data fits the values predicted using two experimentally determined pK (a) values. Based on the complexity of H-1 NMR spectrum of monoanionic 4PDA form, coexistence of two stable rotamers was assumed. In an alkaline media, 4PDA is mostly present in dianionic form. As pi-electrons of dianion are delocalized over an entire keto-enol moiety, spectral distinction between tautomers was not possible. Quantum chemical calculations were used to predict relative stability of tautomers. The predictions were in good accordance with experimental results only in case when explicit water molecule was included in calculations.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations
VL  - 29
IS  - 2
SP  - 423
EP  - 434
DO  - 10.1007/s11224-017-1039-3
ER  - 

@article{
author = "Cvijetić, Ilija and Pešić, Miloš P. and Todorov, Miljana D. and Drakulić, Branko and Juranić, Ivan and Verbić, Tatjana and Zloh, Mire",
year = "2018",
abstract = "Aryldiketo acids (ADKs) exhibit the variety of biological activities, mainly due to large affinity toward divalent metal ions. Metal complexation ability of ADKs, as well as interactions with proteins, depend on tautomeric form present in solution. The main aim of this study was to fully explore the tautomeric preferences of 4-phenyl-2,4-dioxobutanoic acid (4PDA), as ADKs representative, in aqueous media at different pH values. 1D and 2D NMR spectroscopy in combination with quantum chemical calculations was applied in order to better understand the tautomeric preferences of 4PDA. The data in highly acidic media are especially interesting since there are no such findings in the literature due to low solubility of ADKs in molecular form. At low pH values, where 4PDA is unionized, the most abundant tautomeric form is enol with keto group closer to phenyl ring. At higher pH values, mixture of two 4PDA ionic forms coexists in solution. Their ratio calculated according to NMR data fits the values predicted using two experimentally determined pK (a) values. Based on the complexity of H-1 NMR spectrum of monoanionic 4PDA form, coexistence of two stable rotamers was assumed. In an alkaline media, 4PDA is mostly present in dianionic form. As pi-electrons of dianion are delocalized over an entire keto-enol moiety, spectral distinction between tautomers was not possible. Quantum chemical calculations were used to predict relative stability of tautomers. The predictions were in good accordance with experimental results only in case when explicit water molecule was included in calculations.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations",
volume = "29",
number = "2",
pages = "423-434",
doi = "10.1007/s11224-017-1039-3"
}

Cvijetić, I., Pešić, M. P., Todorov, M. D., Drakulić, B., Juranić, I., Verbić, T.,& Zloh, M.. (2018). Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations. in Structural Chemistry
Springer/Plenum Publishers, New York., 29(2), 423-434.
https://doi.org/10.1007/s11224-017-1039-3

Cvijetić I, Pešić MP, Todorov MD, Drakulić B, Juranić I, Verbić T, Zloh M. Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations. in Structural Chemistry. 2018;29(2):423-434.
doi:10.1007/s11224-017-1039-3 .

Cvijetić, Ilija, Pešić, Miloš P., Todorov, Miljana D., Drakulić, Branko, Juranić, Ivan, Verbić, Tatjana, Zloh, Mire, "Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations" in Structural Chemistry, 29, no. 2 (2018):423-434,
https://doi.org/10.1007/s11224-017-1039-3 . .

TY  - JOUR
AU  - Cvijetić, Ilija
AU  - Pešić, Miloš P.
AU  - Todorov, Miljana D.
AU  - Drakulić, Branko
AU  - Juranić, Ivan
AU  - Verbić, Tatjana
AU  - Zloh, Mire
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2694
AB  - Aryldiketo acids (ADKs) exhibit the variety of biological activities, mainly due to large affinity toward divalent metal ions. Metal complexation ability of ADKs, as well as interactions with proteins, depend on tautomeric form present in solution. The main aim of this study was to fully explore the tautomeric preferences of 4-phenyl-2,4-dioxobutanoic acid (4PDA), as ADKs representative, in aqueous media at different pH values. 1D and 2D NMR spectroscopy in combination with quantum chemical calculations was applied in order to better understand the tautomeric preferences of 4PDA. The data in highly acidic media are especially interesting since there are no such findings in the literature due to low solubility of ADKs in molecular form. At low pH values, where 4PDA is unionized, the most abundant tautomeric form is enol with keto group closer to phenyl ring. At higher pH values, mixture of two 4PDA ionic forms coexists in solution. Their ratio calculated according to NMR data fits the values predicted using two experimentally determined pK (a) values. Based on the complexity of H-1 NMR spectrum of monoanionic 4PDA form, coexistence of two stable rotamers was assumed. In an alkaline media, 4PDA is mostly present in dianionic form. As pi-electrons of dianion are delocalized over an entire keto-enol moiety, spectral distinction between tautomers was not possible. Quantum chemical calculations were used to predict relative stability of tautomers. The predictions were in good accordance with experimental results only in case when explicit water molecule was included in calculations.
PB  - Springer/Plenum Publishers, New York
T2  - Structural Chemistry
T1  - Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations
VL  - 29
IS  - 2
SP  - 423
EP  - 434
DO  - 10.1007/s11224-017-1039-3
ER  - 

@article{
author = "Cvijetić, Ilija and Pešić, Miloš P. and Todorov, Miljana D. and Drakulić, Branko and Juranić, Ivan and Verbić, Tatjana and Zloh, Mire",
year = "2018",
abstract = "Aryldiketo acids (ADKs) exhibit the variety of biological activities, mainly due to large affinity toward divalent metal ions. Metal complexation ability of ADKs, as well as interactions with proteins, depend on tautomeric form present in solution. The main aim of this study was to fully explore the tautomeric preferences of 4-phenyl-2,4-dioxobutanoic acid (4PDA), as ADKs representative, in aqueous media at different pH values. 1D and 2D NMR spectroscopy in combination with quantum chemical calculations was applied in order to better understand the tautomeric preferences of 4PDA. The data in highly acidic media are especially interesting since there are no such findings in the literature due to low solubility of ADKs in molecular form. At low pH values, where 4PDA is unionized, the most abundant tautomeric form is enol with keto group closer to phenyl ring. At higher pH values, mixture of two 4PDA ionic forms coexists in solution. Their ratio calculated according to NMR data fits the values predicted using two experimentally determined pK (a) values. Based on the complexity of H-1 NMR spectrum of monoanionic 4PDA form, coexistence of two stable rotamers was assumed. In an alkaline media, 4PDA is mostly present in dianionic form. As pi-electrons of dianion are delocalized over an entire keto-enol moiety, spectral distinction between tautomers was not possible. Quantum chemical calculations were used to predict relative stability of tautomers. The predictions were in good accordance with experimental results only in case when explicit water molecule was included in calculations.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Structural Chemistry",
title = "Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations",
volume = "29",
number = "2",
pages = "423-434",
doi = "10.1007/s11224-017-1039-3"
}

Cvijetić, I., Pešić, M. P., Todorov, M. D., Drakulić, B., Juranić, I., Verbić, T.,& Zloh, M.. (2018). Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations. in Structural Chemistry
Springer/Plenum Publishers, New York., 29(2), 423-434.
https://doi.org/10.1007/s11224-017-1039-3

Cvijetić I, Pešić MP, Todorov MD, Drakulić B, Juranić I, Verbić T, Zloh M. Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations. in Structural Chemistry. 2018;29(2):423-434.
doi:10.1007/s11224-017-1039-3 .

Cvijetić, Ilija, Pešić, Miloš P., Todorov, Miljana D., Drakulić, Branko, Juranić, Ivan, Verbić, Tatjana, Zloh, Mire, "Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations" in Structural Chemistry, 29, no. 2 (2018):423-434,
https://doi.org/10.1007/s11224-017-1039-3 . .

TY  - JOUR
AU  - Cvijetić, Ilija
AU  - Verbić, Tatjana
AU  - de Resende, Pedro Ernesto
AU  - Stapleton, Paul
AU  - Gibbons, Simon
AU  - Juranić, Ivan
AU  - Drakulić, Branko
AU  - Zloh, Mire
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2690
AB  - Antimicrobial resistance (AMR) is a major health problem worldwide, because of ability of bacteria, fungi and viruses to evade known therapeutic agents used in treatment of infections. Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus aureus bacteria. Our previous studies revealed that ADK analogues having bulky alkyl group in ortho position on a phenyl ring have up to ten times better activity than norfloxacin against the same strains. Rational modifications of analogues by introduction of hydrophobic substituents on the aromatic ring has led to more than tenfold increase in antibacterial activity against multidrug resistant Gram positive strains. To elucidate a potential mechanism of action for this potentially novel class of antimicrobials, several bacterial enzymes were identified as putative targets according to literature data and pharmacophoric similarity searches for potent ADK analogues. Among the seven bacterial targets chosen, the strongest favorable binding interactions were observed between most active analogue and S. aureus dehydrosqualene synthase and DNA gyrase. Furthermore, the docking results in combination with literature data suggest that these novel molecules could also target several other bacterial enzymes, including prenyl-transferases and methionine aminopeptidase. These results and our statistically significant 3D QSAR model could be used to guide the further design of more potent derivatives as well as in virtual screening for novel antibacterial agents. (C) 2017 Elsevier Masson SAS. All rights reserved.
PB  - Elsevier
T2  - European Journal of Medicinal Chemistry
T1  - Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains
VL  - 143
SP  - 1474
EP  - 1488
DO  - 10.1016/j.ejmech.2017.10.045
ER  - 

@article{
author = "Cvijetić, Ilija and Verbić, Tatjana and de Resende, Pedro Ernesto and Stapleton, Paul and Gibbons, Simon and Juranić, Ivan and Drakulić, Branko and Zloh, Mire",
year = "2018",
abstract = "Antimicrobial resistance (AMR) is a major health problem worldwide, because of ability of bacteria, fungi and viruses to evade known therapeutic agents used in treatment of infections. Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus aureus bacteria. Our previous studies revealed that ADK analogues having bulky alkyl group in ortho position on a phenyl ring have up to ten times better activity than norfloxacin against the same strains. Rational modifications of analogues by introduction of hydrophobic substituents on the aromatic ring has led to more than tenfold increase in antibacterial activity against multidrug resistant Gram positive strains. To elucidate a potential mechanism of action for this potentially novel class of antimicrobials, several bacterial enzymes were identified as putative targets according to literature data and pharmacophoric similarity searches for potent ADK analogues. Among the seven bacterial targets chosen, the strongest favorable binding interactions were observed between most active analogue and S. aureus dehydrosqualene synthase and DNA gyrase. Furthermore, the docking results in combination with literature data suggest that these novel molecules could also target several other bacterial enzymes, including prenyl-transferases and methionine aminopeptidase. These results and our statistically significant 3D QSAR model could be used to guide the further design of more potent derivatives as well as in virtual screening for novel antibacterial agents. (C) 2017 Elsevier Masson SAS. All rights reserved.",
publisher = "Elsevier",
journal = "European Journal of Medicinal Chemistry",
title = "Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains",
volume = "143",
pages = "1474-1488",
doi = "10.1016/j.ejmech.2017.10.045"
}

Cvijetić, I., Verbić, T., de Resende, P. E., Stapleton, P., Gibbons, S., Juranić, I., Drakulić, B.,& Zloh, M.. (2018). Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains. in European Journal of Medicinal Chemistry
Elsevier., 143, 1474-1488.
https://doi.org/10.1016/j.ejmech.2017.10.045

Cvijetić I, Verbić T, de Resende PE, Stapleton P, Gibbons S, Juranić I, Drakulić B, Zloh M. Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains. in European Journal of Medicinal Chemistry. 2018;143:1474-1488.
doi:10.1016/j.ejmech.2017.10.045 .

Cvijetić, Ilija, Verbić, Tatjana, de Resende, Pedro Ernesto, Stapleton, Paul, Gibbons, Simon, Juranić, Ivan, Drakulić, Branko, Zloh, Mire, "Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains" in European Journal of Medicinal Chemistry, 143 (2018):1474-1488,
https://doi.org/10.1016/j.ejmech.2017.10.045 . .

TY  - JOUR
AU  - Cvijetić, Ilija
AU  - Verbić, Tatjana
AU  - de Resende, Pedro Ernesto
AU  - Stapleton, Paul
AU  - Gibbons, Simon
AU  - Juranić, Ivan
AU  - Drakulić, Branko
AU  - Zloh, Mire
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2690
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2691
AB  - Antimicrobial resistance (AMR) is a major health problem worldwide, because of ability of bacteria, fungi and viruses to evade known therapeutic agents used in treatment of infections. Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus aureus bacteria. Our previous studies revealed that ADK analogues having bulky alkyl group in ortho position on a phenyl ring have up to ten times better activity than norfloxacin against the same strains. Rational modifications of analogues by introduction of hydrophobic substituents on the aromatic ring has led to more than tenfold increase in antibacterial activity against multidrug resistant Gram positive strains. To elucidate a potential mechanism of action for this potentially novel class of antimicrobials, several bacterial enzymes were identified as putative targets according to literature data and pharmacophoric similarity searches for potent ADK analogues. Among the seven bacterial targets chosen, the strongest favorable binding interactions were observed between most active analogue and S. aureus dehydrosqualene synthase and DNA gyrase. Furthermore, the docking results in combination with literature data suggest that these novel molecules could also target several other bacterial enzymes, including prenyl-transferases and methionine aminopeptidase. These results and our statistically significant 3D QSAR model could be used to guide the further design of more potent derivatives as well as in virtual screening for novel antibacterial agents. (C) 2017 Elsevier Masson SAS. All rights reserved.
PB  - Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux
T2  - European Journal of Medicinal Chemistry
T1  - Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains
VL  - 143
SP  - 1474
EP  - 1488
DO  - 10.1016/j.ejmech.2017.10.045
ER  - 

@article{
author = "Cvijetić, Ilija and Verbić, Tatjana and de Resende, Pedro Ernesto and Stapleton, Paul and Gibbons, Simon and Juranić, Ivan and Drakulić, Branko and Zloh, Mire",
year = "2018",
abstract = "Antimicrobial resistance (AMR) is a major health problem worldwide, because of ability of bacteria, fungi and viruses to evade known therapeutic agents used in treatment of infections. Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus aureus bacteria. Our previous studies revealed that ADK analogues having bulky alkyl group in ortho position on a phenyl ring have up to ten times better activity than norfloxacin against the same strains. Rational modifications of analogues by introduction of hydrophobic substituents on the aromatic ring has led to more than tenfold increase in antibacterial activity against multidrug resistant Gram positive strains. To elucidate a potential mechanism of action for this potentially novel class of antimicrobials, several bacterial enzymes were identified as putative targets according to literature data and pharmacophoric similarity searches for potent ADK analogues. Among the seven bacterial targets chosen, the strongest favorable binding interactions were observed between most active analogue and S. aureus dehydrosqualene synthase and DNA gyrase. Furthermore, the docking results in combination with literature data suggest that these novel molecules could also target several other bacterial enzymes, including prenyl-transferases and methionine aminopeptidase. These results and our statistically significant 3D QSAR model could be used to guide the further design of more potent derivatives as well as in virtual screening for novel antibacterial agents. (C) 2017 Elsevier Masson SAS. All rights reserved.",
publisher = "Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux",
journal = "European Journal of Medicinal Chemistry",
title = "Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains",
volume = "143",
pages = "1474-1488",
doi = "10.1016/j.ejmech.2017.10.045"
}

Cvijetić, I., Verbić, T., de Resende, P. E., Stapleton, P., Gibbons, S., Juranić, I., Drakulić, B.,& Zloh, M.. (2018). Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains. in European Journal of Medicinal Chemistry
Elsevier France-Editions Scientifiques Medicales Elsevier, Issy-Les-Moulineaux., 143, 1474-1488.
https://doi.org/10.1016/j.ejmech.2017.10.045

Cvijetić I, Verbić T, de Resende PE, Stapleton P, Gibbons S, Juranić I, Drakulić B, Zloh M. Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains. in European Journal of Medicinal Chemistry. 2018;143:1474-1488.
doi:10.1016/j.ejmech.2017.10.045 .

Cvijetić, Ilija, Verbić, Tatjana, de Resende, Pedro Ernesto, Stapleton, Paul, Gibbons, Simon, Juranić, Ivan, Drakulić, Branko, Zloh, Mire, "Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains" in European Journal of Medicinal Chemistry, 143 (2018):1474-1488,
https://doi.org/10.1016/j.ejmech.2017.10.045 . .

TY  - CONF
AU  - Marković, Olivera
AU  - Konstantinović, Jelena M.
AU  - Cvijetić, Ilija
AU  - Amézqueta, Susana
AU  - Valko, Klara
AU  - Ràfols, Clara
AU  - Polović, Natalija
AU  - Šolaja, Bogdan
AU  - Verbić, Tatjana
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3403
AB  - Drug molecules in vivo may be bound to proteins and lipids in plasma and/or in tissues, or free (unbound) in diffusion among the aqueous environment of the blood and tissues. Data from in vitro plasma protein binding experiments that determine the fraction of protein-bound drug are  frequently used in drug discovery. Methods used for drug –  plasma protein binding (PPB) studies are numerous and can be divided into two main groups: separation methods (enabling the calculation of binding parameters, i.e. the number of binding sites and their respective affinity constants) and non-separation methods (describing predominantly qualitative parameters of the ligand-protein complex).
PB  - International Association of Physical Chemists
C3  - 6th World Conference on Physico-Chemical Methods in Drug Discovery, Zagreb, Croatia, September 4-7, 2017 - Book of Abstracts
T1  - Measurements of plasma protein binding – variety of experimental techniques
SP  - 30
EP  - 30
UR  - https://hdl.handle.net/21.15107/rcub_cer_3403
ER  - 

@conference{
author = "Marković, Olivera and Konstantinović, Jelena M. and Cvijetić, Ilija and Amézqueta, Susana and Valko, Klara and Ràfols, Clara and Polović, Natalija and Šolaja, Bogdan and Verbić, Tatjana",
year = "2017",
abstract = "Drug molecules in vivo may be bound to proteins and lipids in plasma and/or in tissues, or free (unbound) in diffusion among the aqueous environment of the blood and tissues. Data from in vitro plasma protein binding experiments that determine the fraction of protein-bound drug are  frequently used in drug discovery. Methods used for drug –  plasma protein binding (PPB) studies are numerous and can be divided into two main groups: separation methods (enabling the calculation of binding parameters, i.e. the number of binding sites and their respective affinity constants) and non-separation methods (describing predominantly qualitative parameters of the ligand-protein complex).",
publisher = "International Association of Physical Chemists",
journal = "6th World Conference on Physico-Chemical Methods in Drug Discovery, Zagreb, Croatia, September 4-7, 2017 - Book of Abstracts",
title = "Measurements of plasma protein binding – variety of experimental techniques",
pages = "30-30",
url = "https://hdl.handle.net/21.15107/rcub_cer_3403"
}

Marković, O., Konstantinović, J. M., Cvijetić, I., Amézqueta, S., Valko, K., Ràfols, C., Polović, N., Šolaja, B.,& Verbić, T.. (2017). Measurements of plasma protein binding – variety of experimental techniques. in 6th World Conference on Physico-Chemical Methods in Drug Discovery, Zagreb, Croatia, September 4-7, 2017 - Book of Abstracts
International Association of Physical Chemists., 30-30.
https://hdl.handle.net/21.15107/rcub_cer_3403

Marković O, Konstantinović JM, Cvijetić I, Amézqueta S, Valko K, Ràfols C, Polović N, Šolaja B, Verbić T. Measurements of plasma protein binding – variety of experimental techniques. in 6th World Conference on Physico-Chemical Methods in Drug Discovery, Zagreb, Croatia, September 4-7, 2017 - Book of Abstracts. 2017;:30-30.
https://hdl.handle.net/21.15107/rcub_cer_3403 .

Marković, Olivera, Konstantinović, Jelena M., Cvijetić, Ilija, Amézqueta, Susana, Valko, Klara, Ràfols, Clara, Polović, Natalija, Šolaja, Bogdan, Verbić, Tatjana, "Measurements of plasma protein binding – variety of experimental techniques" in 6th World Conference on Physico-Chemical Methods in Drug Discovery, Zagreb, Croatia, September 4-7, 2017 - Book of Abstracts (2017):30-30,
https://hdl.handle.net/21.15107/rcub_cer_3403 .

TY  - CONF
AU  - Marković, Olivera
AU  - Stojkov, Dragana D.
AU  - Ranković, Petar M.
AU  - Pešić, Miloš P.
AU  - Cvijetić, Ilija
AU  - Verbić, Tatjana
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3400
AB  - The aim of the present study was to examine the influence of the filter type during phase
separation on solubility determination. Polyether sulfone (hydrophobic) and polyvinylidene fluoride (hydrophilic) filters were chosen. The concentration was measured by UV/Vis spectrophotometry. Carvedilol (base) and ibuprofen (acid) are used as a model compounds. LogP values were determined by miniaturized shake-flask method and by optimized potentiometric titration. It is shown that solubility data can be influenced by membrane filter type which is used for filtration, after the equilibrium is established during dissolution. Magnitude of this influence depends of lipophilicity and pKa value of molecule and a solution pH value.
AB  - Cilj ovog rada je ispitivanje uticaja vrste membrane filtera u procesu odvajanja faza pri određivanju rastvorljivosti „shake-flask“ metodom. Izabrani su polietar-sulfon (hidrofobni) i poliviniliden-fluorid (hidrofilni) filteri. Koncentracija je merena pomoću UV/Vis spektrofotometrije. Kao model supstance korišćeni su karvedilol (baza) i ibuprofen (kiselina). Minijaturizovanom „shake-flask“ metodom i optimizovanom metodom potenciometrijske titracije određene su i logP vrednosti. Pokazano je da rezultat određivanja rastvorljivosti može zavisiti od vrste membrane filtera koji se koristi za odvajanje filtrata nakon uspostavljanja ravnoteže u rastvoru tokom rastvaranja. Jačina uticaja zavisi od lipofilnosti i pKa vrednosti ispitavanog molekula kao i od pH vrednosti rastvora u kom se izvodi određivanje.
PB  - Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd
C3  - 53rd Meeting of the Serbian Chemical Society - Book of abstracts / 53. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Kragujevac, 10-11.06.2016
T1  - The effect of the filter type on the quality of “shake flask” solubility determinations
T1  - Uticaj vrste filtera na kvalitet određivanja rastvorljivosti “shake-flask” metodom
SP  - 17
EP  - 17
UR  - https://hdl.handle.net/21.15107/rcub_cer_3400
ER  - 

@conference{
author = "Marković, Olivera and Stojkov, Dragana D. and Ranković, Petar M. and Pešić, Miloš P. and Cvijetić, Ilija and Verbić, Tatjana",
year = "2016",
abstract = "The aim of the present study was to examine the influence of the filter type during phase
separation on solubility determination. Polyether sulfone (hydrophobic) and polyvinylidene fluoride (hydrophilic) filters were chosen. The concentration was measured by UV/Vis spectrophotometry. Carvedilol (base) and ibuprofen (acid) are used as a model compounds. LogP values were determined by miniaturized shake-flask method and by optimized potentiometric titration. It is shown that solubility data can be influenced by membrane filter type which is used for filtration, after the equilibrium is established during dissolution. Magnitude of this influence depends of lipophilicity and pKa value of molecule and a solution pH value., Cilj ovog rada je ispitivanje uticaja vrste membrane filtera u procesu odvajanja faza pri određivanju rastvorljivosti „shake-flask“ metodom. Izabrani su polietar-sulfon (hidrofobni) i poliviniliden-fluorid (hidrofilni) filteri. Koncentracija je merena pomoću UV/Vis spektrofotometrije. Kao model supstance korišćeni su karvedilol (baza) i ibuprofen (kiselina). Minijaturizovanom „shake-flask“ metodom i optimizovanom metodom potenciometrijske titracije određene su i logP vrednosti. Pokazano je da rezultat određivanja rastvorljivosti može zavisiti od vrste membrane filtera koji se koristi za odvajanje filtrata nakon uspostavljanja ravnoteže u rastvoru tokom rastvaranja. Jačina uticaja zavisi od lipofilnosti i pKa vrednosti ispitavanog molekula kao i od pH vrednosti rastvora u kom se izvodi određivanje.",
publisher = "Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd",
journal = "53rd Meeting of the Serbian Chemical Society - Book of abstracts / 53. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Kragujevac, 10-11.06.2016",
title = "The effect of the filter type on the quality of “shake flask” solubility determinations, Uticaj vrste filtera na kvalitet određivanja rastvorljivosti “shake-flask” metodom",
pages = "17-17",
url = "https://hdl.handle.net/21.15107/rcub_cer_3400"
}

Marković, O., Stojkov, D. D., Ranković, P. M., Pešić, M. P., Cvijetić, I.,& Verbić, T.. (2016). The effect of the filter type on the quality of “shake flask” solubility determinations. in 53rd Meeting of the Serbian Chemical Society - Book of abstracts / 53. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Kragujevac, 10-11.06.2016
Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd., 17-17.
https://hdl.handle.net/21.15107/rcub_cer_3400

Marković O, Stojkov DD, Ranković PM, Pešić MP, Cvijetić I, Verbić T. The effect of the filter type on the quality of “shake flask” solubility determinations. in 53rd Meeting of the Serbian Chemical Society - Book of abstracts / 53. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Kragujevac, 10-11.06.2016. 2016;:17-17.
https://hdl.handle.net/21.15107/rcub_cer_3400 .

Marković, Olivera, Stojkov, Dragana D., Ranković, Petar M., Pešić, Miloš P., Cvijetić, Ilija, Verbić, Tatjana, "The effect of the filter type on the quality of “shake flask” solubility determinations" in 53rd Meeting of the Serbian Chemical Society - Book of abstracts / 53. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Kragujevac, 10-11.06.2016 (2016):17-17,
https://hdl.handle.net/21.15107/rcub_cer_3400 .

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Marinković, Aleksandar D.
AU  - Bjelogrlić, Snežana K.
AU  - Todorović, Tamara
AU  - Cvijetić, Ilija
AU  - Novaković, Irena
AU  - Muller, Christian D.
AU  - Filipovic, Nenad R.
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1895
AB  - A comparative study of antitumor activity of mono- and bis-quinoline based (thio) carbohydrazones was investigated by a series of tests on two human malignant cell lines: acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma cancer stem cells (AsPC-1). Thiocarbohydrazones (TCHs) revealed superior pro-apoptotic activity over carbohydrazones (CHs) on both tested cell phenotypes, also displaying multi-target profile activities. Programmed cell death triggered by TCHs was partially caspase-dependent, mainly caspase-8 related. Activity against cancer stem cells (CSCs) was evaluated on 2D monolayers and 3D spheroidal models, where two out of three tested bis-TCHs successfully stimulated apoptosis accompanied by a reduction in size of treated spheres. Additionally, all bis-TCHs induced significant decrease in percentage of CD44-expressing AsPC-1 cells that indicate on their ability to induce reprogramming of CSC phenotype. Current results highly support further assessment of bis-TCHs in order to specify their specific targets in cancer cells and particularly in the CSCs subpopulation.
PB  - Royal Soc Chemistry, Cambridge
T2  - RSC Advances
T1  - Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models
VL  - 6
IS  - 106
SP  - 104763
EP  - 104781
DO  - 10.1039/c6ra23940d
ER  - 

@article{
author = "Božić, Aleksandra R. and Marinković, Aleksandar D. and Bjelogrlić, Snežana K. and Todorović, Tamara and Cvijetić, Ilija and Novaković, Irena and Muller, Christian D. and Filipovic, Nenad R.",
year = "2016",
abstract = "A comparative study of antitumor activity of mono- and bis-quinoline based (thio) carbohydrazones was investigated by a series of tests on two human malignant cell lines: acute monocytic leukemia (THP-1) and pancreatic adenocarcinoma cancer stem cells (AsPC-1). Thiocarbohydrazones (TCHs) revealed superior pro-apoptotic activity over carbohydrazones (CHs) on both tested cell phenotypes, also displaying multi-target profile activities. Programmed cell death triggered by TCHs was partially caspase-dependent, mainly caspase-8 related. Activity against cancer stem cells (CSCs) was evaluated on 2D monolayers and 3D spheroidal models, where two out of three tested bis-TCHs successfully stimulated apoptosis accompanied by a reduction in size of treated spheres. Additionally, all bis-TCHs induced significant decrease in percentage of CD44-expressing AsPC-1 cells that indicate on their ability to induce reprogramming of CSC phenotype. Current results highly support further assessment of bis-TCHs in order to specify their specific targets in cancer cells and particularly in the CSCs subpopulation.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "RSC Advances",
title = "Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models",
volume = "6",
number = "106",
pages = "104763-104781",
doi = "10.1039/c6ra23940d"
}

Božić, A. R., Marinković, A. D., Bjelogrlić, S. K., Todorović, T., Cvijetić, I., Novaković, I., Muller, C. D.,& Filipovic, N. R.. (2016). Quinoline based mono- and bis-(thio) carbohydrazones: synthesis, anticancer activity in 2D and 3D cancer and cancer stem cell models. in RSC Advances
Royal Soc Chemistry, Cambridge., 6(106), 104763-104781.
https://doi.org/10.1039/c6ra23940d

Božić AR, Marinković AD, Bjelogrlić SK, Todorović T, Cvijetić I, Novaković I, Muller CD, Filipovic 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 D., Bjelogrlić, Snežana K., Todorović, Tamara, Cvijetić, Ilija, Novaković, Irena, Muller, Christian D., Filipovic, 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 . .