TY  - CONF
AU  - Cvijetić, Ilija
AU  - Ivković, Đurđa
AU  - Todorović, Petar
AU  - Andrić, Filip
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6222
AB  - DES are mixtures of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that, when combined in a specific molar ratio, exhibit a significant decrease in melting point and become liquid at room temperature. DES can be tailored to meet different physicochemical requirements by altering the HBA:HBD ratio or the nature of the compounds. In this study, we utilized the COSMO-RS method to predict the activity coefficients of 12 phenolic compounds in 105 NaDES. These NaDES contained equimolar mixtures of betaine, carnitine, creatine, and ornithine as HBAs and various sugars and amino acids as HBDs. The NaDES were compared to methanol, and several mixtures exhibited higher affinities to all phenolics. The most promising NaDES were betaine-glycerol, betaine-xylitol, and carnitine-urea. We are currently conducting experimental validation of the extraction efficiency of these cosmetically acceptable solvents. In summary, we have identified promising NaDES mixtures that could replace conventional solvents and contribute to the development of sustainable, bio-based extracts.

Acknowledgment: This research was funded by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No. 389927, and the MNTR, contracts No. 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288.
C3  - 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia
T1  - Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients
IS  - 66
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6222
ER  - 

@conference{
author = "Cvijetić, Ilija and Ivković, Đurđa and Todorović, Petar and Andrić, Filip and Ristivojević, Petar",
year = "2023",
abstract = "DES are mixtures of a hydrogen bond donor (HBD) and a hydrogen bond acceptor (HBA) that, when combined in a specific molar ratio, exhibit a significant decrease in melting point and become liquid at room temperature. DES can be tailored to meet different physicochemical requirements by altering the HBA:HBD ratio or the nature of the compounds. In this study, we utilized the COSMO-RS method to predict the activity coefficients of 12 phenolic compounds in 105 NaDES. These NaDES contained equimolar mixtures of betaine, carnitine, creatine, and ornithine as HBAs and various sugars and amino acids as HBDs. The NaDES were compared to methanol, and several mixtures exhibited higher affinities to all phenolics. The most promising NaDES were betaine-glycerol, betaine-xylitol, and carnitine-urea. We are currently conducting experimental validation of the extraction efficiency of these cosmetically acceptable solvents. In summary, we have identified promising NaDES mixtures that could replace conventional solvents and contribute to the development of sustainable, bio-based extracts.

Acknowledgment: This research was funded by The Science Fund of the Republic of Serbia, Serbian Science and Diaspora Collaboration Program, No. 389927, and the MNTR, contracts No. 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288.",
journal = "59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia",
title = "Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients",
number = "66",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6222"
}

Cvijetić, I., Ivković, Đ., Todorović, P., Andrić, F.,& Ristivojević, P.. (2023). Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia(66).
https://hdl.handle.net/21.15107/rcub_cherry_6222

Cvijetić I, Ivković Đ, Todorović P, Andrić F, Ristivojević P. Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia. 2023;(66).
https://hdl.handle.net/21.15107/rcub_cherry_6222 .

Cvijetić, Ilija, Ivković, Đurđa, Todorović, Petar, Andrić, Filip, Ristivojević, Petar, "Screening natural deep eutectic solvents (NaDES) using COSMO-RS for sustainable and environmentally-friendly cosmetic ingredients" in 59th Meeting of the Serbian Chemical Society, Book of Abstracts, June 1-2, 2023, Novi Sad, Serbia, no. 66 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6222 .

TY  - JOUR
AU  - Rabab, Salih
AU  - Veličković, Zlate
AU  - Milošević, Milena
AU  - Pavlović, Vera P.
AU  - Cvijetić, Ilija
AU  - Sofrenić, Ivana V.
AU  - Gržetić, Jelena D.
AU  - Marinković, Aleksandar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6018
AB  - Multifunctional lignin bio-based adsorbent, b-LMS, was obtained via inverse copolymerization in the suspension of acryloyl modified kraft lignin (KfL-AA) and bio-based trimethylolpropane triacrylate (bio-TMPTA). Morphological and structural characterization of KfL-AA and b-LMS was performed using BET, FTIR, Raman, NMR, TGA, SEM, and XPS techniques. The b-LMS microspheres with 253 ± 42 μm diameters, 69.4 m2 g−1 surface area, and 59% porosity efficiently adsorb Malachite Green (MG), Tartrazine (T), and Methyl Red (MR) dye. The influence of pH, pollutant concentration, temperature, and time on the removal efficiency was studied in a batch mode. Favorable and spontaneous processes with high adsorption capacities e.g. 116.8 mg g−1 for MG, 86.8 mg g−1 for T, and 68.6 mg g−1 for MR indicate the significant adsorptive potential of b-LMS. Results from diffusional and single mass transfer resistance studies indicate that pore diffusion is a rate-limiting step. Theoretical calculations confirmed a higher affinity of b-LMS to cationic dye MG compared with an anionic and neutral one, i.e. T and MR, respectively. The data fitting from a flow system, using semi-empirical equations and Pore Surface Diffusion Modelling (PSDM) provided breakthrough point determination. The results from the desorption and competitive adsorption study proved the exceptional performance of b-LMS. Moreover, sulfation of b-LMS, i.e.production of b-LMS-OSO3H, introduced high-affinity sulfate groups with respect to cationic dye and cations. Developed methodology implements the principle of sustainable development and offers concept whose results contribute to the minimization of environmental pollution.
PB  - Academic Press
T2  - Journal of Environmental Management
T1  - Lignin based microspheres for effective dyes removal: Design, synthesis and adsorption mechanism supported with theoretical study
VL  - 326
SP  - 116838
DO  - 10.1016/j.jenvman.2022.116838
ER  - 

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

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

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

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

TY  - JOUR
AU  - Cvijetić, Ilija 
AU  - Herlah, Barbara
AU  - Marinković, Aleksandar
AU  - Perdih, Andrej
AU  - Bjelogrlić, Snežana K.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6246
AB  - Phenotypic screening of α-substituted thiocarbohydrazones revealed promising activity of 1,5-bis(salicylidene)thiocarbohydrazide against leukemia and breast cancer cells. Supplementary cell-based studies indicated an impairment of DNA replication via the ROS-independent pathway. The structural similarity of α-substituted thiocarbohydrazone to previously published thiosemicarbazone catalytic inhibitors targeting the ATP-binding site of human DNA topoisomerase IIα prompted us to investigate the inhibition activity on this target. Thiocarbohydrazone acted as a catalytic inhibitor and did not intercalate the DNA molecule, which validated their engagement with this cancer target. A comprehensive computational assessment of molecular recognition for a selected thiosemicarbazone and thiocarbohydrazone provided useful information for further optimization of this discovered lead compound for chemotherapeutic anticancer drug discovery.
PB  - MDPI
T2  - Pharmaceuticals
T1  - Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα
VL  - 16
IS  - 3
SP  - 341
DO  - 10.3390/ph16030341
ER  - 

@article{
author = "Cvijetić, Ilija  and Herlah, Barbara and Marinković, Aleksandar and Perdih, Andrej and Bjelogrlić, Snežana K.",
year = "2023",
abstract = "Phenotypic screening of α-substituted thiocarbohydrazones revealed promising activity of 1,5-bis(salicylidene)thiocarbohydrazide against leukemia and breast cancer cells. Supplementary cell-based studies indicated an impairment of DNA replication via the ROS-independent pathway. The structural similarity of α-substituted thiocarbohydrazone to previously published thiosemicarbazone catalytic inhibitors targeting the ATP-binding site of human DNA topoisomerase IIα prompted us to investigate the inhibition activity on this target. Thiocarbohydrazone acted as a catalytic inhibitor and did not intercalate the DNA molecule, which validated their engagement with this cancer target. A comprehensive computational assessment of molecular recognition for a selected thiosemicarbazone and thiocarbohydrazone provided useful information for further optimization of this discovered lead compound for chemotherapeutic anticancer drug discovery.",
publisher = "MDPI",
journal = "Pharmaceuticals",
title = "Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα",
volume = "16",
number = "3",
pages = "341",
doi = "10.3390/ph16030341"
}

Cvijetić, I., Herlah, B., Marinković, A., Perdih, A.,& Bjelogrlić, S. K.. (2023). Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα. in Pharmaceuticals
MDPI., 16(3), 341.
https://doi.org/10.3390/ph16030341

Cvijetić I, Herlah B, Marinković A, Perdih A, Bjelogrlić SK. Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα. in Pharmaceuticals. 2023;16(3):341.
doi:10.3390/ph16030341 .

Cvijetić, Ilija , Herlah, Barbara, Marinković, Aleksandar, Perdih, Andrej, Bjelogrlić, Snežana K., "Phenotypic Discovery of Thiocarbohydrazone with Anticancer Properties and Catalytic Inhibition of Human DNA Topoisomerase IIα" in Pharmaceuticals, 16, no. 3 (2023):341,
https://doi.org/10.3390/ph16030341 . .

TY  - JOUR
AU  - Jankov, Milica
AU  - Ristivojević, Petar
AU  - Cvijetić, Ilija
AU  - Milojković-Opsenica, Dušanka
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6232
AB  - High-Performance Thin-Layer Chromatography (HPTLC)-radical scavenging capacity (RSC) assays are stan- dard techniques for the separation and identification of antioxidants from complex mixtures. HPTLC coupled with DPPH · visualization of chromatograms allows for the detection of individual antioxidants. However, other HPTLC-RSC assays that recognize compounds exhibiting different mechanisms of radical- scavenging activity are rarely reported. In this study, we developed an integrated approach that combines five HPTLC-RSC assays, principal component analysis (PCA) and quantum chemical calculations to assess the antioxidant capacity of Sempervivum tectorum L. leaf extracts. Two HPTLC assays - potassium hexa- cyanoferrate(III) total reducing power assay (TRP) and total antioxidant capacity by phosphomolybdenum method (TAC) - were developed for the first time. The method supports a more in-depth study of the RSC of natural products, as it compares the radical scavenging fingerprints of S. tectorum leaf extracts and recognizes differences in their individual bioactive constituents. Kaempferol, kaempferol 3- O -glucoside, quercetin 3- O -glucoside, caffeic acid, and gallic acid were identified as the compounds that discriminate HPTLC-RSC assays according to their mechanism of action and capture the similarities between 20 S. tec- torum samples. Additionally, DFT calculations on M06–2X/6–31 + G (d,p) level were applied to map ther- modynamic feasibility of hydrogen atom transfer (HAT) and single electron transfer (SET) mechanisms of the identified compounds. Based on experimental and theoretical results, a combination of HPTLC-ABTS and HPTLC-TAC assays were proposed as the optimal method for mapping the antioxidants from S. tec- torum . This study represents a step forward in identifying and quantifying individual antioxidants from complex food and natural product matrices in a more rational manner.
PB  - Elsevier
T2  - Journal of Chromatography A
T1  - Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach
VL  - 1703
SP  - 464082
DO  - 10.1016/j.chroma.2023.464082
ER  - 

@article{
author = "Jankov, Milica and Ristivojević, Petar and Cvijetić, Ilija and Milojković-Opsenica, Dušanka",
year = "2023",
abstract = "High-Performance Thin-Layer Chromatography (HPTLC)-radical scavenging capacity (RSC) assays are stan- dard techniques for the separation and identification of antioxidants from complex mixtures. HPTLC coupled with DPPH · visualization of chromatograms allows for the detection of individual antioxidants. However, other HPTLC-RSC assays that recognize compounds exhibiting different mechanisms of radical- scavenging activity are rarely reported. In this study, we developed an integrated approach that combines five HPTLC-RSC assays, principal component analysis (PCA) and quantum chemical calculations to assess the antioxidant capacity of Sempervivum tectorum L. leaf extracts. Two HPTLC assays - potassium hexa- cyanoferrate(III) total reducing power assay (TRP) and total antioxidant capacity by phosphomolybdenum method (TAC) - were developed for the first time. The method supports a more in-depth study of the RSC of natural products, as it compares the radical scavenging fingerprints of S. tectorum leaf extracts and recognizes differences in their individual bioactive constituents. Kaempferol, kaempferol 3- O -glucoside, quercetin 3- O -glucoside, caffeic acid, and gallic acid were identified as the compounds that discriminate HPTLC-RSC assays according to their mechanism of action and capture the similarities between 20 S. tec- torum samples. Additionally, DFT calculations on M06–2X/6–31 + G (d,p) level were applied to map ther- modynamic feasibility of hydrogen atom transfer (HAT) and single electron transfer (SET) mechanisms of the identified compounds. Based on experimental and theoretical results, a combination of HPTLC-ABTS and HPTLC-TAC assays were proposed as the optimal method for mapping the antioxidants from S. tec- torum . This study represents a step forward in identifying and quantifying individual antioxidants from complex food and natural product matrices in a more rational manner.",
publisher = "Elsevier",
journal = "Journal of Chromatography A",
title = "Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach",
volume = "1703",
pages = "464082",
doi = "10.1016/j.chroma.2023.464082"
}

Jankov, M., Ristivojević, P., Cvijetić, I.,& Milojković-Opsenica, D.. (2023). Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach. in Journal of Chromatography A
Elsevier., 1703, 464082.
https://doi.org/10.1016/j.chroma.2023.464082

Jankov M, Ristivojević P, Cvijetić I, Milojković-Opsenica D. Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach. in Journal of Chromatography A. 2023;1703:464082.
doi:10.1016/j.chroma.2023.464082 .

Jankov, Milica, Ristivojević, Petar, Cvijetić, Ilija, Milojković-Opsenica, Dušanka, "Assessing radical scavenging capacity of Sempervivum tectorum L. leaf extracts: An integrated high-performance thin-layer chromatography/ in silico /chemometrics approach" in Journal of Chromatography A, 1703 (2023):464082,
https://doi.org/10.1016/j.chroma.2023.464082 . .

TY  - JOUR
AU  - Lazović, Mila
AU  - Cvijetić, Ilija
AU  - Jankov, Milica
AU  - Milojković-Opsenica, Dušanka
AU  - Trifković, Jelena
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6230
AB  - Natural Eutectic Solvents (NES) are a promising class of environmentally friendly liquids that offer an alternative to conventional organic solvents. To investigate their potential for extracting phenolic compounds from plant materials, we employed the COSMO-RS (COnductor like Screening MOdel for Real Solvents) computational method. Nineteen NES solvents were prepared to determine the most selective and effective solvent for extracting phenolic compounds from Teucrium chamaedrys using both theoretical and experimental evaluation. Screening of extraction efficiency was performed by quantification of individual compounds using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer (UHPLC-DAD-MS/MS), as well as spectrophotometric assays (total phenolic content, total flavonoid content, and radical scavenging activity). In this paper, we propose a new approach to model NES properties using COSMO-RS. While the majority of previous studies have modeled these solvents as individual or pseudo-component complexes between hydrogen bond donor (HBD) and hydrogen bond acceptor (HBA), we have developed a ternary HBD:HBA:water supramolecular complex model to represent NES solution structures more accurately. This model provides insights into the intermolecular interactions driving the extraction process and predicts extraction efficiencies that agree with experimental data. Two eutectic mixtures (choline chloride:succinic acid in molar ratio 1:1 and 20% of water (w/w) and choline chloride: glycerol in molar ratio 1:1 and 20% of water (w/w)) showed strong affinity towards phenolic compounds. Overall, our findings suggest that the ternary complex model is a more appropriate approach for modeling NES properties.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys
VL  - 387
SP  - 122649
DO  - 10.1016/j.molliq.2023.122649
ER  - 

@article{
author = "Lazović, Mila and Cvijetić, Ilija and Jankov, Milica and Milojković-Opsenica, Dušanka and Trifković, Jelena and Ristivojević, Petar",
year = "2023",
abstract = "Natural Eutectic Solvents (NES) are a promising class of environmentally friendly liquids that offer an alternative to conventional organic solvents. To investigate their potential for extracting phenolic compounds from plant materials, we employed the COSMO-RS (COnductor like Screening MOdel for Real Solvents) computational method. Nineteen NES solvents were prepared to determine the most selective and effective solvent for extracting phenolic compounds from Teucrium chamaedrys using both theoretical and experimental evaluation. Screening of extraction efficiency was performed by quantification of individual compounds using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer (UHPLC-DAD-MS/MS), as well as spectrophotometric assays (total phenolic content, total flavonoid content, and radical scavenging activity). In this paper, we propose a new approach to model NES properties using COSMO-RS. While the majority of previous studies have modeled these solvents as individual or pseudo-component complexes between hydrogen bond donor (HBD) and hydrogen bond acceptor (HBA), we have developed a ternary HBD:HBA:water supramolecular complex model to represent NES solution structures more accurately. This model provides insights into the intermolecular interactions driving the extraction process and predicts extraction efficiencies that agree with experimental data. Two eutectic mixtures (choline chloride:succinic acid in molar ratio 1:1 and 20% of water (w/w) and choline chloride: glycerol in molar ratio 1:1 and 20% of water (w/w)) showed strong affinity towards phenolic compounds. Overall, our findings suggest that the ternary complex model is a more appropriate approach for modeling NES properties.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys",
volume = "387",
pages = "122649",
doi = "10.1016/j.molliq.2023.122649"
}

Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2023). COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys. in Journal of Molecular Liquids
Elsevier., 387, 122649.
https://doi.org/10.1016/j.molliq.2023.122649

Lazović M, Cvijetić I, Jankov M, Milojković-Opsenica D, Trifković J, Ristivojević P. COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys. in Journal of Molecular Liquids. 2023;387:122649.
doi:10.1016/j.molliq.2023.122649 .

Lazović, Mila, Cvijetić, Ilija, Jankov, Milica, Milojković-Opsenica, Dušanka, Trifković, Jelena, Ristivojević, Petar, "COSMO-RS in prescreening of Natural Eutectic Solvents for phenolic extraction from Teucrium chamaedrys" in Journal of Molecular Liquids, 387 (2023):122649,
https://doi.org/10.1016/j.molliq.2023.122649 . .

TY  - JOUR
AU  - Lazović, Mila
AU  - Cvijetić, Ilija
AU  - Trifković, Jelena
AU  - Agatonović‑Kuštrin, Snežana
AU  - Morton, David W.
AU  - Ristivojević, Petar
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6231
AB  - Owing to the use of large volumes of toxic solvents and reagents, green analytical methods have gained increasing importance in natural product research. Herein, a green approach is proposed using the natural deep eutectic solvents (NADES) for the extraction and separation of phenols from Teucrium chamaedrys by use of an ecofriendly high-performance thin-layer chromatography (HPTLC) method. Principal component analysis was used to classify NADES extracts based on HPTLC data. The method’s greenness was assessed using two different tools: the National Environmental Methods Index (NEMI) and the analytical eco-scale. This method can also find application in routine quality control analysis of the investigated medicinal herb with minimal harm to the environment or human health.
PB  - Springer
T2  - JPC – Journal of Planar Chromatography – Modern TLC
T1  - Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale
VL  - n/a
DO  - 10.1007/s00764-023-00250-3
ER  - 

@article{
author = "Lazović, Mila and Cvijetić, Ilija and Trifković, Jelena and Agatonović‑Kuštrin, Snežana and Morton, David W. and Ristivojević, Petar",
year = "2023",
abstract = "Owing to the use of large volumes of toxic solvents and reagents, green analytical methods have gained increasing importance in natural product research. Herein, a green approach is proposed using the natural deep eutectic solvents (NADES) for the extraction and separation of phenols from Teucrium chamaedrys by use of an ecofriendly high-performance thin-layer chromatography (HPTLC) method. Principal component analysis was used to classify NADES extracts based on HPTLC data. The method’s greenness was assessed using two different tools: the National Environmental Methods Index (NEMI) and the analytical eco-scale. This method can also find application in routine quality control analysis of the investigated medicinal herb with minimal harm to the environment or human health.",
publisher = "Springer",
journal = "JPC – Journal of Planar Chromatography – Modern TLC",
title = "Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale",
volume = "n/a",
doi = "10.1007/s00764-023-00250-3"
}

Lazović, M., Cvijetić, I., Trifković, J., Agatonović‑Kuštrin, S., Morton, D. W.,& Ristivojević, P.. (2023). Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale. in JPC – Journal of Planar Chromatography – Modern TLC
Springer., n/a.
https://doi.org/10.1007/s00764-023-00250-3

Lazović M, Cvijetić I, Trifković J, Agatonović‑Kuštrin S, Morton DW, Ristivojević P. Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale. in JPC – Journal of Planar Chromatography – Modern TLC. 2023;n/a.
doi:10.1007/s00764-023-00250-3 .

Lazović, Mila, Cvijetić, Ilija, Trifković, Jelena, Agatonović‑Kuštrin, Snežana, Morton, David W., Ristivojević, Petar, "Green analytical profiling of Teucrium chamaedrys L. using natural deep eutectic solvents and planar chromatography: a greenness assessment by the National Environmental Methods Index and analytical eco‑scale" in JPC – Journal of Planar Chromatography – Modern TLC, n/a (2023),
https://doi.org/10.1007/s00764-023-00250-3 . .

TY  - JOUR
AU  - Vujatović, Tamara B.
AU  - Vitorović-Todorović, Maja D.
AU  - Cvijetić, Ilija
AU  - Vasović, Tamara
AU  - Nikolić, Milan
AU  - Novaković, Irena T.
AU  - Bjelogrlić, Snežana K.
PY  - 2022
UR  - https://www.sciencedirect.com/science/article/pii/S0022286021018287
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4761
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, causing 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 derivatives also exerted significant antibacterial activity with one order of magnitude higher potency than chloramphenicol 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 and Novaković, Irena T. and Bjelogrlić, Snežana K.",
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, causing 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 derivatives also exerted significant antibacterial activity with one order of magnitude higher potency than chloramphenicol 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., Novaković, I. T.,& Bjelogrlić, S. K.. (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 M, Novaković IT, Bjelogrlić SK. 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, Novaković, Irena T., Bjelogrlić, Snežana K., "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  - DATA
AU  - Vujatović, Tamara B.
AU  - Vitorović-Todorović, Maja D.
AU  - Cvijetić, Ilija
AU  - Vasović, Tamara
AU  - Nikolić, Milan
AU  - Novaković, Irena T.
AU  - Bjelogrlić, Snežana K.
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4762
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Supplementary data for the article: Vujatović, T. B.; Vitorović-Todorović, M. D.; Cvijetić, I.; Vasović, T.; Nikolić, M. R.; Novaković, I.; Bjelogrlić, S. Novel Derivatives of Aroylacrylic Acid Phenylamides as Inducers of Apoptosis through the ROS-Mediated Pathway in Several Cancer Cell Lines. Journal of Molecular Structure 2022, 1250, 131702. https://doi.org/10.1016/j.molstruc.2021.131702.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4762
ER  - 

@misc{
author = "Vujatović, Tamara B. and Vitorović-Todorović, Maja D. and Cvijetić, Ilija and Vasović, Tamara and Nikolić, Milan and Novaković, Irena T. and Bjelogrlić, Snežana K.",
year = "2022",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Supplementary data for the article: Vujatović, T. B.; Vitorović-Todorović, M. D.; Cvijetić, I.; Vasović, T.; Nikolić, M. R.; Novaković, I.; Bjelogrlić, S. Novel Derivatives of Aroylacrylic Acid Phenylamides as Inducers of Apoptosis through the ROS-Mediated Pathway in Several Cancer Cell Lines. Journal of Molecular Structure 2022, 1250, 131702. https://doi.org/10.1016/j.molstruc.2021.131702.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4762"
}

Vujatović, T. B., Vitorović-Todorović, M. D., Cvijetić, I., Vasović, T., Nikolić, M., Novaković, I. T.,& Bjelogrlić, S. K.. (2022). Supplementary data for the article: Vujatović, T. B.; Vitorović-Todorović, M. D.; Cvijetić, I.; Vasović, T.; Nikolić, M. R.; Novaković, I.; Bjelogrlić, S. Novel Derivatives of Aroylacrylic Acid Phenylamides as Inducers of Apoptosis through the ROS-Mediated Pathway in Several Cancer Cell Lines. Journal of Molecular Structure 2022, 1250, 131702. https://doi.org/10.1016/j.molstruc.2021.131702.. in Journal of Molecular Structure
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4762

Vujatović TB, Vitorović-Todorović MD, Cvijetić I, Vasović T, Nikolić M, Novaković IT, Bjelogrlić SK. Supplementary data for the article: Vujatović, T. B.; Vitorović-Todorović, M. D.; Cvijetić, I.; Vasović, T.; Nikolić, M. R.; Novaković, I.; Bjelogrlić, S. Novel Derivatives of Aroylacrylic Acid Phenylamides as Inducers of Apoptosis through the ROS-Mediated Pathway in Several Cancer Cell Lines. Journal of Molecular Structure 2022, 1250, 131702. https://doi.org/10.1016/j.molstruc.2021.131702.. in Journal of Molecular Structure. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_4762 .

Vujatović, Tamara B., Vitorović-Todorović, Maja D., Cvijetić, Ilija, Vasović, Tamara, Nikolić, Milan, Novaković, Irena T., Bjelogrlić, Snežana K., "Supplementary data for the article: Vujatović, T. B.; Vitorović-Todorović, M. D.; Cvijetić, I.; Vasović, T.; Nikolić, M. R.; Novaković, I.; Bjelogrlić, S. Novel Derivatives of Aroylacrylic Acid Phenylamides as Inducers of Apoptosis through the ROS-Mediated Pathway in Several Cancer Cell Lines. Journal of Molecular Structure 2022, 1250, 131702. https://doi.org/10.1016/j.molstruc.2021.131702." in Journal of Molecular Structure (2022),
https://hdl.handle.net/21.15107/rcub_cherry_4762 .

TY  - JOUR
AU  - Assaleh, Mohamed H.
AU  - Bjelogrlić, Snežana K.
AU  - Prlainović, Nevena
AU  - Cvijetić, Ilija
AU  - Božić, Aleksandra R.
AU  - Aranđelović, Irena
AU  - Vuković, Dragana
AU  - Marinković, Aleksandar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4867
AB  - A series of twelve novel hybrids of cinnamic acid and thiocarbohydrazones were designed, synthesized in high yield using a simple coupling strategy via acid chlorides, and evaluated for their impact against Mycobacterium tuberculosis (Mtb) and cancer cells survival. Among them, compound 3 demonstrated strong anti-Mtb activity by reducing bacilli survival for>90 % in all three treated Mtb isolates, whereas isoniazid and rifampicin did not. Moreover, compound 3 didn’t affect vitality of HepG-2 cells, implying on advantageous hepatotoxicity profile compared to current therapeutic options for tuberculosis. Compounds 2a and 3b displayed as strong inducers of apoptosis in A549 cells, both activating intrinsic caspase pathway and cell cycle arrest at the G0/G1 phase. Subsequent analyses disclosed differences in their activities, where 3b has ability to induce production of mitochondrial superoxide anions, while 2a significantly inhibited cellular mobility. More importantly, 3b considerably affected viability of HepG-2 and HaCaT cells, whereas 2a had moderate impact only on the later. Molecular modeling studies indicated high permeability and good absorption through the human intestine, and moderate aqueous solubility with poor blood–brain barrier permeability. In summary, our results reveal that novel compounds 3 and 2a represent promising agents for tuberculosis and cancer treatment, respectively, indicating that further investigation needs to be performed to clarify the mechanisms of their anti-Mtb and anticancer activity.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile
VL  - 15
IS  - 1
SP  - 103532
DO  - 10.1016/j.arabjc.2021.103532
ER  - 

@article{
author = "Assaleh, Mohamed H. and Bjelogrlić, Snežana K. and Prlainović, Nevena and Cvijetić, Ilija and Božić, Aleksandra R. and Aranđelović, Irena and Vuković, Dragana and Marinković, Aleksandar",
year = "2022",
abstract = "A series of twelve novel hybrids of cinnamic acid and thiocarbohydrazones were designed, synthesized in high yield using a simple coupling strategy via acid chlorides, and evaluated for their impact against Mycobacterium tuberculosis (Mtb) and cancer cells survival. Among them, compound 3 demonstrated strong anti-Mtb activity by reducing bacilli survival for>90 % in all three treated Mtb isolates, whereas isoniazid and rifampicin did not. Moreover, compound 3 didn’t affect vitality of HepG-2 cells, implying on advantageous hepatotoxicity profile compared to current therapeutic options for tuberculosis. Compounds 2a and 3b displayed as strong inducers of apoptosis in A549 cells, both activating intrinsic caspase pathway and cell cycle arrest at the G0/G1 phase. Subsequent analyses disclosed differences in their activities, where 3b has ability to induce production of mitochondrial superoxide anions, while 2a significantly inhibited cellular mobility. More importantly, 3b considerably affected viability of HepG-2 and HaCaT cells, whereas 2a had moderate impact only on the later. Molecular modeling studies indicated high permeability and good absorption through the human intestine, and moderate aqueous solubility with poor blood–brain barrier permeability. In summary, our results reveal that novel compounds 3 and 2a represent promising agents for tuberculosis and cancer treatment, respectively, indicating that further investigation needs to be performed to clarify the mechanisms of their anti-Mtb and anticancer activity.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Antimycobacterial and anticancer activity of newly designed cinnamic acid hydrazides with favorable toxicity profile",
volume = "15",
number = "1",
pages = "103532",
doi = "10.1016/j.arabjc.2021.103532"
}

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

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

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

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

@misc{
author = "Assaleh, Mohamed H. and Bjelogrlić, Snežana K. and Prlainović, Nevena and Cvijetić, Ilija and Božić, Aleksandra R. and Aranđelović, Irena and Vuković, Dragana and Marinković, Aleksandar",
year = "2022",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4868"
}

Assaleh, M. H., Bjelogrlić, S. K., Prlainović, N., Cvijetić, I., Božić, A. R., Aranđelović, I., Vuković, D.,& Marinković, A.. (2022). Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.. in Arabian Journal of Chemistry
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4868

Assaleh MH, Bjelogrlić SK, Prlainović N, Cvijetić I, Božić AR, Aranđelović I, Vuković D, Marinković A. Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532.. in Arabian Journal of Chemistry. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_4868 .

Assaleh, Mohamed H., Bjelogrlić, Snežana K., Prlainović, Nevena, Cvijetić, Ilija, Božić, Aleksandra R., Aranđelović, Irena, Vuković, Dragana, Marinković, Aleksandar, "Supplementary material for the article: Assaleh, M. H.; Bjelogrlic, S. K.; Prlainovic, N.; Cvijetic, I.; Bozic, A.; Arandjelovic, I.; Vukovic, D.; Marinkovic, A. Antimycobacterial and Anticancer Activity of Newly Designed Cinnamic Acid Hydrazides with Favorable Toxicity Profile. Arabian Journal of Chemistry 2022, 15 (1), 103532. https://doi.org/10.1016/j.arabjc.2021.103532." in Arabian Journal of Chemistry (2022),
https://hdl.handle.net/21.15107/rcub_cherry_4868 .

TY  - JOUR
AU  - Lazović, Mila
AU  - Cvijetić, Ilija
AU  - Jankov, Milica
AU  - Milojković-Opsenica, Dušanka
AU  - Trifković, Jelena
AU  - Ristivojević, Petar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5637
AB  - To replace common organic solvents that present inherent toxicity and have high volatility and to improve the extraction efficiency, a range of natural deep eutectic solvents (NADESs) were evaluated for the extraction of phenolic compounds from Agrimonia eupatoria. Screening of NADES efficiency was carried out based on the total phenolic and flavonoid content and radical-scavenging activity, determined by spectrophotometry, as well as phenolic compounds quantified, obtained using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer. Increased extraction efficiency when compared with organic solvent was achieved using NADES mixtures choline chloride (ChCl):urea 1:2 and choline chloride:glycerol 1:1. Flavonol glycosides were the most abundant compounds in all extracts. The COSMO-RS model provided insights into the most important intermolecular interactions that drive the extraction process. Moreover, it could explain the extraction efficiency of flavonol glycosides using ChCl:glycerol NADES. The current article offers experimental evidence and mechanistic insights for the selection of optimal NADES to extract bioactive components from Agrimonia eupatoria. © 2022 by the authors.
PB  - MDPI
T2  - Plants
T1  - Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling
VL  - 11
SP  - 2346
DO  - 10.3390/plants11182346
ER  - 

@article{
author = "Lazović, Mila and Cvijetić, Ilija and Jankov, Milica and Milojković-Opsenica, Dušanka and Trifković, Jelena and Ristivojević, Petar",
year = "2022",
abstract = "To replace common organic solvents that present inherent toxicity and have high volatility and to improve the extraction efficiency, a range of natural deep eutectic solvents (NADESs) were evaluated for the extraction of phenolic compounds from Agrimonia eupatoria. Screening of NADES efficiency was carried out based on the total phenolic and flavonoid content and radical-scavenging activity, determined by spectrophotometry, as well as phenolic compounds quantified, obtained using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer. Increased extraction efficiency when compared with organic solvent was achieved using NADES mixtures choline chloride (ChCl):urea 1:2 and choline chloride:glycerol 1:1. Flavonol glycosides were the most abundant compounds in all extracts. The COSMO-RS model provided insights into the most important intermolecular interactions that drive the extraction process. Moreover, it could explain the extraction efficiency of flavonol glycosides using ChCl:glycerol NADES. The current article offers experimental evidence and mechanistic insights for the selection of optimal NADES to extract bioactive components from Agrimonia eupatoria. © 2022 by the authors.",
publisher = "MDPI",
journal = "Plants",
title = "Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling",
volume = "11",
pages = "2346",
doi = "10.3390/plants11182346"
}

Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants
MDPI., 11, 2346.
https://doi.org/10.3390/plants11182346

Lazović M, Cvijetić I, Jankov M, Milojković-Opsenica D, Trifković J, Ristivojević P. Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants. 2022;11:2346.
doi:10.3390/plants11182346 .

Lazović, Mila, Cvijetić, Ilija, Jankov, Milica, Milojković-Opsenica, Dušanka, Trifković, Jelena, Ristivojević, Petar, "Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling" in Plants, 11 (2022):2346,
https://doi.org/10.3390/plants11182346 . .

TY  - JOUR
AU  - Ristivojević, Petar
AU  - Lekić, Nevena
AU  - Cvijetić, Ilija
AU  - Krstić, Đurđa
AU  - Andrić, Filip
AU  - Milojković-Opsenica, Dušanka
AU  - Morlock, Gertrud E.
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5644
AB  - Strawberries are an important fruit in the European diet because of their unique taste and high content of essential nutrients and bioactive compounds. The anthocyanins are known to be colorful phenolics in strawberries. In 17 samples of six strawberry cultivars produced in Serbia, i.e., the common varieties Alba, Asia, and Clery as well as promising breeding materials (11.29.11, 11.34.6, and 11.39.3), the anthocyanin profile as well as antimicrobial and antioxidative activity profiles were determined. All investigated extracts showed antioxidative and antibacterial activities against Gram-negative Aliivibrio fischeri. The responses were quite similar in number and intensity. The HPTLC-DPPH• scavenging assay and HPTLC-Aliivibrio fischeri bioassay coupled with high-resolution mass spectrometry identified pelargonidin-3-O-glucoside (Pg-3-glc) as the main anthocyanin and prominent antioxidative and antimicrobial compound in strawberries. The density functional theory calculations at the M06-2X/6-31+G(d,p) level showed that Pg-3-glc quenches free radicals via sequential proton loss electron transfer mechanism in water and in pentyl ethanoate, where the 5-OH group is the most reactive site for proton and hydrogen atom transfer. The results were confirmed via spectrophotometry. The highest total phenolic content was found in Clery and 11.39.3, while statistically significant differences between the genotypes regarding the antioxidant activity were not confirmed. Although very similar in the anthocyanin, antioxidative, and antimicrobial profile patterns, the strawberry genotypes were successfully classified using principal component analysis.
PB  - MDPI
T2  - Molecules
T1  - Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics
VL  - 27
SP  - 6062
DO  - 10.3390/molecules27186062
ER  - 

@article{
author = "Ristivojević, Petar and Lekić, Nevena and Cvijetić, Ilija and Krstić, Đurđa and Andrić, Filip and Milojković-Opsenica, Dušanka and Morlock, Gertrud E.",
year = "2022",
abstract = "Strawberries are an important fruit in the European diet because of their unique taste and high content of essential nutrients and bioactive compounds. The anthocyanins are known to be colorful phenolics in strawberries. In 17 samples of six strawberry cultivars produced in Serbia, i.e., the common varieties Alba, Asia, and Clery as well as promising breeding materials (11.29.11, 11.34.6, and 11.39.3), the anthocyanin profile as well as antimicrobial and antioxidative activity profiles were determined. All investigated extracts showed antioxidative and antibacterial activities against Gram-negative Aliivibrio fischeri. The responses were quite similar in number and intensity. The HPTLC-DPPH• scavenging assay and HPTLC-Aliivibrio fischeri bioassay coupled with high-resolution mass spectrometry identified pelargonidin-3-O-glucoside (Pg-3-glc) as the main anthocyanin and prominent antioxidative and antimicrobial compound in strawberries. The density functional theory calculations at the M06-2X/6-31+G(d,p) level showed that Pg-3-glc quenches free radicals via sequential proton loss electron transfer mechanism in water and in pentyl ethanoate, where the 5-OH group is the most reactive site for proton and hydrogen atom transfer. The results were confirmed via spectrophotometry. The highest total phenolic content was found in Clery and 11.39.3, while statistically significant differences between the genotypes regarding the antioxidant activity were not confirmed. Although very similar in the anthocyanin, antioxidative, and antimicrobial profile patterns, the strawberry genotypes were successfully classified using principal component analysis.",
publisher = "MDPI",
journal = "Molecules",
title = "Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics",
volume = "27",
pages = "6062",
doi = "10.3390/molecules27186062"
}

Ristivojević, P., Lekić, N., Cvijetić, I., Krstić, Đ., Andrić, F., Milojković-Opsenica, D.,& Morlock, G. E.. (2022). Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics. in Molecules
MDPI., 27, 6062.
https://doi.org/10.3390/molecules27186062

Ristivojević P, Lekić N, Cvijetić I, Krstić Đ, Andrić F, Milojković-Opsenica D, Morlock GE. Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics. in Molecules. 2022;27:6062.
doi:10.3390/molecules27186062 .

Ristivojević, Petar, Lekić, Nevena, Cvijetić, Ilija, Krstić, Đurđa, Andrić, Filip, Milojković-Opsenica, Dušanka, Morlock, Gertrud E., "Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics" in Molecules, 27 (2022):6062,
https://doi.org/10.3390/molecules27186062 . .

TY  - DATA
AU  - Ristivojević, Petar
AU  - Lekić, Nevena
AU  - Cvijetić, Ilija
AU  - Krstić, Đurđa
AU  - Andrić, Filip
AU  - Milojković-Opsenica, Dušanka
AU  - Morlock, Gertrud E.
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5646
AB  - Strawberries are an important fruit in the European diet because of their unique taste and high content of essential nutrients and bioactive compounds. The anthocyanins are known to be colorful phenolics in strawberries. In 17 samples of six strawberry cultivars produced in Serbia, i.e., the common varieties Alba, Asia, and Clery as well as promising breeding materials (11.29.11, 11.34.6, and 11.39.3), the anthocyanin profile as well as antimicrobial and antioxidative activity profiles were determined. All investigated extracts showed antioxidative and antibacterial activities against Gram-negative Aliivibrio fischeri. The responses were quite similar in number and intensity. The HPTLC-DPPH• scavenging assay and HPTLC-Aliivibrio fischeri bioassay coupled with high-resolution mass spectrometry identified pelargonidin-3-O-glucoside (Pg-3-glc) as the main anthocyanin and prominent antioxidative and antimicrobial compound in strawberries. The density functional theory calculations at the M06-2X/6-31+G(d,p) level showed that Pg-3-glc quenches free radicals via sequential proton loss electron transfer mechanism in water and in pentyl ethanoate, where the 5-OH group is the most reactive site for proton and hydrogen atom transfer. The results were confirmed via spectrophotometry. The highest total phenolic content was found in Clery and 11.39.3, while statistically significant differences between the genotypes regarding the antioxidant activity were not confirmed. Although very similar in the anthocyanin, antioxidative, and antimicrobial profile patterns, the strawberry genotypes were successfully classified using principal component analysis.
PB  - MDPI
T2  - Molecules
T1  - Supplementary material for: Ristivojević, P., Lekić, N., Cvijetić, I., Krstić, Đ., Andrić, F., Milojković-Opsenica, D.,& Morlock, G. E.. (2022). Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics. in Molecules MDPI., 27, 6062. https://doi.org/10.3390/molecules27186062
VL  - 27
SP  - 6062
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5646
ER  - 

@misc{
author = "Ristivojević, Petar and Lekić, Nevena and Cvijetić, Ilija and Krstić, Đurđa and Andrić, Filip and Milojković-Opsenica, Dušanka and Morlock, Gertrud E.",
year = "2022",
abstract = "Strawberries are an important fruit in the European diet because of their unique taste and high content of essential nutrients and bioactive compounds. The anthocyanins are known to be colorful phenolics in strawberries. In 17 samples of six strawberry cultivars produced in Serbia, i.e., the common varieties Alba, Asia, and Clery as well as promising breeding materials (11.29.11, 11.34.6, and 11.39.3), the anthocyanin profile as well as antimicrobial and antioxidative activity profiles were determined. All investigated extracts showed antioxidative and antibacterial activities against Gram-negative Aliivibrio fischeri. The responses were quite similar in number and intensity. The HPTLC-DPPH• scavenging assay and HPTLC-Aliivibrio fischeri bioassay coupled with high-resolution mass spectrometry identified pelargonidin-3-O-glucoside (Pg-3-glc) as the main anthocyanin and prominent antioxidative and antimicrobial compound in strawberries. The density functional theory calculations at the M06-2X/6-31+G(d,p) level showed that Pg-3-glc quenches free radicals via sequential proton loss electron transfer mechanism in water and in pentyl ethanoate, where the 5-OH group is the most reactive site for proton and hydrogen atom transfer. The results were confirmed via spectrophotometry. The highest total phenolic content was found in Clery and 11.39.3, while statistically significant differences between the genotypes regarding the antioxidant activity were not confirmed. Although very similar in the anthocyanin, antioxidative, and antimicrobial profile patterns, the strawberry genotypes were successfully classified using principal component analysis.",
publisher = "MDPI",
journal = "Molecules",
title = "Supplementary material for: Ristivojević, P., Lekić, N., Cvijetić, I., Krstić, Đ., Andrić, F., Milojković-Opsenica, D.,& Morlock, G. E.. (2022). Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics. in Molecules MDPI., 27, 6062. https://doi.org/10.3390/molecules27186062",
volume = "27",
pages = "6062",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5646"
}

Ristivojević, P., Lekić, N., Cvijetić, I., Krstić, Đ., Andrić, F., Milojković-Opsenica, D.,& Morlock, G. E.. (2022). Supplementary material for: Ristivojević, P., Lekić, N., Cvijetić, I., Krstić, Đ., Andrić, F., Milojković-Opsenica, D.,& Morlock, G. E.. (2022). Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics. in Molecules MDPI., 27, 6062. https://doi.org/10.3390/molecules27186062. in Molecules
MDPI., 27, 6062.
https://hdl.handle.net/21.15107/rcub_cherry_5646

Ristivojević P, Lekić N, Cvijetić I, Krstić Đ, Andrić F, Milojković-Opsenica D, Morlock GE. Supplementary material for: Ristivojević, P., Lekić, N., Cvijetić, I., Krstić, Đ., Andrić, F., Milojković-Opsenica, D.,& Morlock, G. E.. (2022). Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics. in Molecules MDPI., 27, 6062. https://doi.org/10.3390/molecules27186062. in Molecules. 2022;27:6062.
https://hdl.handle.net/21.15107/rcub_cherry_5646 .

Ristivojević, Petar, Lekić, Nevena, Cvijetić, Ilija, Krstić, Đurđa, Andrić, Filip, Milojković-Opsenica, Dušanka, Morlock, Gertrud E., "Supplementary material for: Ristivojević, P., Lekić, N., Cvijetić, I., Krstić, Đ., Andrić, F., Milojković-Opsenica, D.,& Morlock, G. E.. (2022). Effect-Directed Profiling of Strawberry Varieties and Breeding Materials via Planar Chromatography and Chemometrics. in Molecules MDPI., 27, 6062. https://doi.org/10.3390/molecules27186062" in Molecules, 27 (2022):6062,
https://hdl.handle.net/21.15107/rcub_cherry_5646 .

TY  - DATA
AU  - Lazović, Mila
AU  - Cvijetić, Ilija
AU  - Jankov, Milica
AU  - Milojković-Opsenica, Dušanka
AU  - Trifković, Jelena
AU  - Ristivojević, Petar
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5659
AB  - To replace common organic solvents that present inherent toxicity and have high volatility and to improve the extraction efficiency, a range of natural deep eutectic solvents (NADESs) were evaluated for the extraction of phenolic compounds from Agrimonia eupatoria. Screening of NADES efficiency was carried out based on the total phenolic and flavonoid content and radical-scavenging activity, determined by spectrophotometry, as well as phenolic compounds quantified, obtained using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer. Increased extraction efficiency when compared with organic solvent was achieved using NADES mixtures choline chloride (ChCl):urea 1:2 and choline chloride:glycerol 1:1. Flavonol glycosides were the most abundant compounds in all extracts. The COSMO-RS model provided insights into the most important intermolecular interactions that drive the extraction process. Moreover, it could explain the extraction efficiency of flavonol glycosides using ChCl:glycerol NADES. The current article offers experimental evidence and mechanistic insights for the selection of optimal NADES to extract bioactive components from Agrimonia eupatoria. © 2022 by the authors.
PB  - MDPI
T2  - Plants
T1  - Supplementary material for: Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants MDPI., 11, 2346. https://doi.org/10.3390/plants11182346
VL  - 11
SP  - 2346
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5659
ER  - 

@misc{
author = "Lazović, Mila and Cvijetić, Ilija and Jankov, Milica and Milojković-Opsenica, Dušanka and Trifković, Jelena and Ristivojević, Petar",
year = "2022",
abstract = "To replace common organic solvents that present inherent toxicity and have high volatility and to improve the extraction efficiency, a range of natural deep eutectic solvents (NADESs) were evaluated for the extraction of phenolic compounds from Agrimonia eupatoria. Screening of NADES efficiency was carried out based on the total phenolic and flavonoid content and radical-scavenging activity, determined by spectrophotometry, as well as phenolic compounds quantified, obtained using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer. Increased extraction efficiency when compared with organic solvent was achieved using NADES mixtures choline chloride (ChCl):urea 1:2 and choline chloride:glycerol 1:1. Flavonol glycosides were the most abundant compounds in all extracts. The COSMO-RS model provided insights into the most important intermolecular interactions that drive the extraction process. Moreover, it could explain the extraction efficiency of flavonol glycosides using ChCl:glycerol NADES. The current article offers experimental evidence and mechanistic insights for the selection of optimal NADES to extract bioactive components from Agrimonia eupatoria. © 2022 by the authors.",
publisher = "MDPI",
journal = "Plants",
title = "Supplementary material for: Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants MDPI., 11, 2346. https://doi.org/10.3390/plants11182346",
volume = "11",
pages = "2346",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5659"
}

Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Supplementary material for: Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants MDPI., 11, 2346. https://doi.org/10.3390/plants11182346. in Plants
MDPI., 11, 2346.
https://hdl.handle.net/21.15107/rcub_cherry_5659

Lazović M, Cvijetić I, Jankov M, Milojković-Opsenica D, Trifković J, Ristivojević P. Supplementary material for: Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants MDPI., 11, 2346. https://doi.org/10.3390/plants11182346. in Plants. 2022;11:2346.
https://hdl.handle.net/21.15107/rcub_cherry_5659 .

Lazović, Mila, Cvijetić, Ilija, Jankov, Milica, Milojković-Opsenica, Dušanka, Trifković, Jelena, Ristivojević, Petar, "Supplementary material for: Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants MDPI., 11, 2346. https://doi.org/10.3390/plants11182346" in Plants, 11 (2022):2346,
https://hdl.handle.net/21.15107/rcub_cherry_5659 .

TY  - CONF
AU  - Jankov, Milica
AU  - Ristivojević, Petar
AU  - Trifković, Jelena
AU  - Cvijetić, Ilija
AU  - Milojković-Opsenica, Dušanka
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6212
AB  - Houseleek leaves (Sempervivum tectorum L.) has a wide application in folk medicine for treating skin changes. Twenty different extracts of houseleek leaves were characterized by spectrophotometry and high-performance thin-layer chromatography (HPTLC). The antioxidant capacity of the extracts was determined using four spectrophotometric assays, while the content of total phenols was determined by the Folin-Ciocalteu's method. The principal component analysis (PCA) was applied to the results obtained by spectrophotometric assays in order to group the samples according to the intensity of antioxidant activity. The samples were divided into two clusters, except for three separated samples. A similar phenolic profile of S. tectorum leaves extracts obtained by HPTLC was observed. Kaempferol and kaempferol 3-O-glucoside, gallic and caffeic acids as well as the quercetin 3-O-glucoside have been identified in houseleek leaves extracts.
C3  - 58th Meeting of the Serbian Chemical Society, Belgrade, Serbia, 9th-10th June, 2022. In: Book of Abstracts and Proceedings
T1  - Spectrophotometric determination of total phenolic content and antioxidant capacity of houseleek leaf extracts (Sempervivum tectorum L.) and phenolic profile
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6212
ER  - 

@conference{
author = "Jankov, Milica and Ristivojević, Petar and Trifković, Jelena and Cvijetić, Ilija and Milojković-Opsenica, Dušanka",
year = "2022",
abstract = "Houseleek leaves (Sempervivum tectorum L.) has a wide application in folk medicine for treating skin changes. Twenty different extracts of houseleek leaves were characterized by spectrophotometry and high-performance thin-layer chromatography (HPTLC). The antioxidant capacity of the extracts was determined using four spectrophotometric assays, while the content of total phenols was determined by the Folin-Ciocalteu's method. The principal component analysis (PCA) was applied to the results obtained by spectrophotometric assays in order to group the samples according to the intensity of antioxidant activity. The samples were divided into two clusters, except for three separated samples. A similar phenolic profile of S. tectorum leaves extracts obtained by HPTLC was observed. Kaempferol and kaempferol 3-O-glucoside, gallic and caffeic acids as well as the quercetin 3-O-glucoside have been identified in houseleek leaves extracts.",
journal = "58th Meeting of the Serbian Chemical Society, Belgrade, Serbia, 9th-10th June, 2022. In: Book of Abstracts and Proceedings",
title = "Spectrophotometric determination of total phenolic content and antioxidant capacity of houseleek leaf extracts (Sempervivum tectorum L.) and phenolic profile",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6212"
}

Jankov, M., Ristivojević, P., Trifković, J., Cvijetić, I.,& Milojković-Opsenica, D.. (2022). Spectrophotometric determination of total phenolic content and antioxidant capacity of houseleek leaf extracts (Sempervivum tectorum L.) and phenolic profile. in 58th Meeting of the Serbian Chemical Society, Belgrade, Serbia, 9th-10th June, 2022. In: Book of Abstracts and Proceedings.
https://hdl.handle.net/21.15107/rcub_cherry_6212

Jankov M, Ristivojević P, Trifković J, Cvijetić I, Milojković-Opsenica D. Spectrophotometric determination of total phenolic content and antioxidant capacity of houseleek leaf extracts (Sempervivum tectorum L.) and phenolic profile. in 58th Meeting of the Serbian Chemical Society, Belgrade, Serbia, 9th-10th June, 2022. In: Book of Abstracts and Proceedings. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_6212 .

Jankov, Milica, Ristivojević, Petar, Trifković, Jelena, Cvijetić, Ilija, Milojković-Opsenica, Dušanka, "Spectrophotometric determination of total phenolic content and antioxidant capacity of houseleek leaf extracts (Sempervivum tectorum L.) and phenolic profile" in 58th Meeting of the Serbian Chemical Society, Belgrade, Serbia, 9th-10th June, 2022. In: Book of Abstracts and Proceedings (2022),
https://hdl.handle.net/21.15107/rcub_cherry_6212 .

TY  - CONF
AU  - Lazović, Mila Č.
AU  - Jankov, Milica S.
AU  - Trifković, Jelena 
AU  - Cvijetić, Ilija 
AU  - Ristivojević, Petar
AU  - Milojković-Opsenica, Dušanka
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6215
AB  - One of the main principles of green analytical chemistry is to eliminate or reduce the use of organic solvents and reagents, and therefore use of Natural Deep Eutectic Solvents (NADES) as medium in sample extraction was recognized as green alternative to conventional one. In this paper, 19 different natural deep eutectic solvents were used for the extraction of phenolic compounds from Teucrium chamaedrys L. Chemical profiles of the extracts were obtained by applying high-performance thin-layer chromatography (HPTLC), which is a green technique due to the simultaneous analysis of a large number of samples, using small amounts of extracts and minimal amounts of solvents. Greenness of proposed methodology was estimated by NEMI pictogram and analytical eco-scale.
AB  - Jedan od glavnih ciljeva zelene analitičke hemije je eliminisanje ili smanjenje upotrebe organskih rastvarača i reagenasa i zbog toga je primena prirodnih eutektičkih smeša (NADES - natural deep eutectic solvents) kao medijuma za ekstrakciju uzoraka prepoznata kao zelena alternativa. U ovom radu je primenjeno 19 različitih prirodnih eutektičkih smeša za ekstrakciju fenolnih jedinjenja iz biljke podubice. Za hemijsko profilisanje ekstrakata korišćena je visoko-efikasna tankoslojna hromatografija (HPTLC – High-performance thin-layer chromatography) koja predstavlja zelenu tehniku zbog istovremene analize velikog broja uzoraka, uz upotrebu male količine ekstrakata i minimalnih količina rastvarača. Ekološka prihvatljivost predložene metodologije procenjena je primenom Nacionalnog indeksa uticaja metode na životnu sredinu i eko-skale.
C3  - 58. Savetovanje Srpskog hemijskog društva - Knjiga radova
T1  - Green analytical approach for extraction and chemical profiling of phenolic compounds from natural products: A case study of Teucrium chamaedrys L.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6215
ER  - 

@conference{
author = "Lazović, Mila Č. and Jankov, Milica S. and Trifković, Jelena  and Cvijetić, Ilija  and Ristivojević, Petar and Milojković-Opsenica, Dušanka",
year = "2022",
abstract = "One of the main principles of green analytical chemistry is to eliminate or reduce the use of organic solvents and reagents, and therefore use of Natural Deep Eutectic Solvents (NADES) as medium in sample extraction was recognized as green alternative to conventional one. In this paper, 19 different natural deep eutectic solvents were used for the extraction of phenolic compounds from Teucrium chamaedrys L. Chemical profiles of the extracts were obtained by applying high-performance thin-layer chromatography (HPTLC), which is a green technique due to the simultaneous analysis of a large number of samples, using small amounts of extracts and minimal amounts of solvents. Greenness of proposed methodology was estimated by NEMI pictogram and analytical eco-scale., Jedan od glavnih ciljeva zelene analitičke hemije je eliminisanje ili smanjenje upotrebe organskih rastvarača i reagenasa i zbog toga je primena prirodnih eutektičkih smeša (NADES - natural deep eutectic solvents) kao medijuma za ekstrakciju uzoraka prepoznata kao zelena alternativa. U ovom radu je primenjeno 19 različitih prirodnih eutektičkih smeša za ekstrakciju fenolnih jedinjenja iz biljke podubice. Za hemijsko profilisanje ekstrakata korišćena je visoko-efikasna tankoslojna hromatografija (HPTLC – High-performance thin-layer chromatography) koja predstavlja zelenu tehniku zbog istovremene analize velikog broja uzoraka, uz upotrebu male količine ekstrakata i minimalnih količina rastvarača. Ekološka prihvatljivost predložene metodologije procenjena je primenom Nacionalnog indeksa uticaja metode na životnu sredinu i eko-skale.",
journal = "58. Savetovanje Srpskog hemijskog društva - Knjiga radova",
title = "Green analytical approach for extraction and chemical profiling of phenolic compounds from natural products: A case study of Teucrium chamaedrys L.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6215"
}

Lazović, M. Č., Jankov, M. S., Trifković, J., Cvijetić, I., Ristivojević, P.,& Milojković-Opsenica, D.. (2022). Green analytical approach for extraction and chemical profiling of phenolic compounds from natural products: A case study of Teucrium chamaedrys L.. in 58. Savetovanje Srpskog hemijskog društva - Knjiga radova.
https://hdl.handle.net/21.15107/rcub_cherry_6215

Lazović MČ, Jankov MS, Trifković J, Cvijetić I, Ristivojević P, Milojković-Opsenica D. Green analytical approach for extraction and chemical profiling of phenolic compounds from natural products: A case study of Teucrium chamaedrys L.. in 58. Savetovanje Srpskog hemijskog društva - Knjiga radova. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_6215 .

Lazović, Mila Č., Jankov, Milica S., Trifković, Jelena , Cvijetić, Ilija , Ristivojević, Petar, Milojković-Opsenica, Dušanka, "Green analytical approach for extraction and chemical profiling of phenolic compounds from natural products: A case study of Teucrium chamaedrys L." in 58. Savetovanje Srpskog hemijskog društva - Knjiga radova (2022),
https://hdl.handle.net/21.15107/rcub_cherry_6215 .

TY  - CONF
AU  - Jankov, Milica
AU  - Cvijetić, Ilija
AU  - Milojković-Opsenica, Dušanka
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6213
AB  - Previously, we identified kaempferol, quercetin and their 3-O-glycosides as potent antioxidants in methanolic extract of houseleek (Sempervivum tectorum) leaves using the High-Performance Thin-Layer Chromatography (HPTLC) and DPPH· (2,2-diphenyl-1-picrylhydrazyl) derivatization. Herein, we report bond dissociation enthalpies (BDEs) and ionization potentials (IPs) of these compounds calculated using Density Functional Theory (DFT) with M06-2X functional and 6-31+G(d,p) basis set in the gas phase and SMD models of water (physiological medium) and pentyl ethanoate (simulated lipid environment). BDEs and IPs map the thermodynamic feasibility of hydrogen atom transfer (HAT) and single electron transfer followed by proton transfer (SET-PT), two common mechanisms how small molecules quench reactive free radicals. 
The HAT is a favorable antioxidant mechanism for all studied compounds in both solvents. The lowest BDE of 76.64 kcal/mol was found for 3’–OH group of quercetin, which is comparable with BDE for resveratrol. Glycosylation in the 3’-position of flavone ring blocks this antioxidant hotspot, increases the IP by 3-7 kcal/mol in all media, and negligibly influences the activity of –OH groups on A and B rings. This result corroborates previous results on the antioxidant activity of S. tectorum leaf juice obtained by EPR spectroscopy [1].
C3  - 1-EuSPMF Book of Abstracts
T1  - DFT study of the antioxidant activity of polyhydroxyflavones identified in houseleek leaf extracts
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6213
ER  - 

@conference{
author = "Jankov, Milica and Cvijetić, Ilija and Milojković-Opsenica, Dušanka",
year = "2022",
abstract = "Previously, we identified kaempferol, quercetin and their 3-O-glycosides as potent antioxidants in methanolic extract of houseleek (Sempervivum tectorum) leaves using the High-Performance Thin-Layer Chromatography (HPTLC) and DPPH· (2,2-diphenyl-1-picrylhydrazyl) derivatization. Herein, we report bond dissociation enthalpies (BDEs) and ionization potentials (IPs) of these compounds calculated using Density Functional Theory (DFT) with M06-2X functional and 6-31+G(d,p) basis set in the gas phase and SMD models of water (physiological medium) and pentyl ethanoate (simulated lipid environment). BDEs and IPs map the thermodynamic feasibility of hydrogen atom transfer (HAT) and single electron transfer followed by proton transfer (SET-PT), two common mechanisms how small molecules quench reactive free radicals. 
The HAT is a favorable antioxidant mechanism for all studied compounds in both solvents. The lowest BDE of 76.64 kcal/mol was found for 3’–OH group of quercetin, which is comparable with BDE for resveratrol. Glycosylation in the 3’-position of flavone ring blocks this antioxidant hotspot, increases the IP by 3-7 kcal/mol in all media, and negligibly influences the activity of –OH groups on A and B rings. This result corroborates previous results on the antioxidant activity of S. tectorum leaf juice obtained by EPR spectroscopy [1].",
journal = "1-EuSPMF Book of Abstracts",
title = "DFT study of the antioxidant activity of polyhydroxyflavones identified in houseleek leaf extracts",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6213"
}

Jankov, M., Cvijetić, I.,& Milojković-Opsenica, D.. (2022). DFT study of the antioxidant activity of polyhydroxyflavones identified in houseleek leaf extracts. in 1-EuSPMF Book of Abstracts.
https://hdl.handle.net/21.15107/rcub_cherry_6213

Jankov M, Cvijetić I, Milojković-Opsenica D. DFT study of the antioxidant activity of polyhydroxyflavones identified in houseleek leaf extracts. in 1-EuSPMF Book of Abstracts. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_6213 .

Jankov, Milica, Cvijetić, Ilija, Milojković-Opsenica, Dušanka, "DFT study of the antioxidant activity of polyhydroxyflavones identified in houseleek leaf extracts" in 1-EuSPMF Book of Abstracts (2022),
https://hdl.handle.net/21.15107/rcub_cherry_6213 .

TY  - JOUR
AU  - Vitorović-Todorović, Maja D.
AU  - Cvijetić, Ilija
AU  - Zloh, Mire
AU  - Perdih, Andrej
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4979
AB  - Recently, we designed and synthesized a subnanomolar, reversible, dual-binding site acetylcholinesterase (AChE) inhibitor which consists of the tacrine and aroylacrylic acid phenylamide moieties, mutually linked by eight methylene units. To further investigate the process of the molecular recognition between the AChE and its inhibitor, we performed six unconstrained molecular dynamics (MD) simulations, where the compound in three possible protonation states was placed inside binding sites of two available AChE crystal structures. In all six MD trajectories, the ligand generally occupied similar space inside the AChE active site, but the pattern of the interactions between the ligand functional groups and the amino acid residues was significantly different and highly dependent upon the crystal structure used to generate initial systems for simulation. The greatest differences were observed between the trajectories obtained with different AChE crystal structures used as starting target conformations. In some trajectories, several unusual positions and dynamic behavior of the tacrine moiety were observed. Therefore, this study provides important structure-based data useful in further optimization of the reversible, dual binding AChE inhibitors, and also emphasizes the importance of the starting crystal structure used for dynamics as well as the protonation state of the reversible inhibitors.Communicated by Ramaswamy H. Sarma
PB  - Taylor & Francis
T2  - Journal of Biomolecular Structure and Dynamics
T1  - Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study
VL  - 40
IS  - 4
SP  - 1671
EP  - 1691
DO  - 10.1080/07391102.2020.1831960
ER  - 

@article{
author = "Vitorović-Todorović, Maja D. and Cvijetić, Ilija and Zloh, Mire and Perdih, Andrej",
year = "2022",
abstract = "Recently, we designed and synthesized a subnanomolar, reversible, dual-binding site acetylcholinesterase (AChE) inhibitor which consists of the tacrine and aroylacrylic acid phenylamide moieties, mutually linked by eight methylene units. To further investigate the process of the molecular recognition between the AChE and its inhibitor, we performed six unconstrained molecular dynamics (MD) simulations, where the compound in three possible protonation states was placed inside binding sites of two available AChE crystal structures. In all six MD trajectories, the ligand generally occupied similar space inside the AChE active site, but the pattern of the interactions between the ligand functional groups and the amino acid residues was significantly different and highly dependent upon the crystal structure used to generate initial systems for simulation. The greatest differences were observed between the trajectories obtained with different AChE crystal structures used as starting target conformations. In some trajectories, several unusual positions and dynamic behavior of the tacrine moiety were observed. Therefore, this study provides important structure-based data useful in further optimization of the reversible, dual binding AChE inhibitors, and also emphasizes the importance of the starting crystal structure used for dynamics as well as the protonation state of the reversible inhibitors.Communicated by Ramaswamy H. Sarma",
publisher = "Taylor & Francis",
journal = "Journal of Biomolecular Structure and Dynamics",
title = "Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study",
volume = "40",
number = "4",
pages = "1671-1691",
doi = "10.1080/07391102.2020.1831960"
}

Vitorović-Todorović, M. D., Cvijetić, I., Zloh, M.,& Perdih, A.. (2022). Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study. in Journal of Biomolecular Structure and Dynamics
Taylor & Francis., 40(4), 1671-1691.
https://doi.org/10.1080/07391102.2020.1831960

Vitorović-Todorović MD, Cvijetić I, Zloh M, Perdih A. Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study. in Journal of Biomolecular Structure and Dynamics. 2022;40(4):1671-1691.
doi:10.1080/07391102.2020.1831960 .

Vitorović-Todorović, Maja D., Cvijetić, Ilija, Zloh, Mire, Perdih, Andrej, "Molecular recognition of acetylcholinesterase and its subnanomolar reversible inhibitor: a molecular simulations study" in Journal of Biomolecular Structure and Dynamics, 40, no. 4 (2022):1671-1691,
https://doi.org/10.1080/07391102.2020.1831960 . .

TY  - DATA
AU  - Vitorović-Todorović, Maja D.
AU  - Cvijetić, Ilija
AU  - Zloh, Mire
AU  - Perdih, Andrej
PY  - 2022
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4980
AB  - Recently, we designed and synthesized a subnanomolar, reversible, dual-binding site acetylcholinesterase (AChE) inhibitor which consists of the tacrine and aroylacrylic acid phenylamide moieties, mutually linked by eight methylene units. To further investigate the process of the molecular recognition between the AChE and its inhibitor, we performed six unconstrained molecular dynamics (MD) simulations, where the compound in three possible protonation states was placed inside binding sites of two available AChE crystal structures. In all six MD trajectories, the ligand generally occupied similar space inside the AChE active site, but the pattern of the interactions between the ligand functional groups and the amino acid residues was significantly different and highly dependent upon the crystal structure used to generate initial systems for simulation. The greatest differences were observed between the trajectories obtained with different AChE crystal structures used as starting target conformations. In some trajectories, several unusual positions and dynamic behavior of the tacrine moiety were observed. Therefore, this study provides important structure-based data useful in further optimization of the reversible, dual binding AChE inhibitors, and also emphasizes the importance of the starting crystal structure used for dynamics as well as the protonation state of the reversible inhibitors.
PB  - Taylor & Francis
T2  - Journal of Biomolecular Structure and Dynamics
T1  - Supplementary data for the article: Vitorović-Todorović, M.; Cvijetić, I.; Zloh, M.; Perdih, A. Molecular Recognition of Acetylcholinesterase and Its Subnanomolar Reversible Inhibitor: A Molecular Simulations Study. Journal of Biomolecular Structure and Dynamics 2022, 40 (4), 1671–1691. https://doi.org/10.1080/07391102.2020.1831960.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4980
ER  - 

@misc{
author = "Vitorović-Todorović, Maja D. and Cvijetić, Ilija and Zloh, Mire and Perdih, Andrej",
year = "2022",
abstract = "Recently, we designed and synthesized a subnanomolar, reversible, dual-binding site acetylcholinesterase (AChE) inhibitor which consists of the tacrine and aroylacrylic acid phenylamide moieties, mutually linked by eight methylene units. To further investigate the process of the molecular recognition between the AChE and its inhibitor, we performed six unconstrained molecular dynamics (MD) simulations, where the compound in three possible protonation states was placed inside binding sites of two available AChE crystal structures. In all six MD trajectories, the ligand generally occupied similar space inside the AChE active site, but the pattern of the interactions between the ligand functional groups and the amino acid residues was significantly different and highly dependent upon the crystal structure used to generate initial systems for simulation. The greatest differences were observed between the trajectories obtained with different AChE crystal structures used as starting target conformations. In some trajectories, several unusual positions and dynamic behavior of the tacrine moiety were observed. Therefore, this study provides important structure-based data useful in further optimization of the reversible, dual binding AChE inhibitors, and also emphasizes the importance of the starting crystal structure used for dynamics as well as the protonation state of the reversible inhibitors.",
publisher = "Taylor & Francis",
journal = "Journal of Biomolecular Structure and Dynamics",
title = "Supplementary data for the article: Vitorović-Todorović, M.; Cvijetić, I.; Zloh, M.; Perdih, A. Molecular Recognition of Acetylcholinesterase and Its Subnanomolar Reversible Inhibitor: A Molecular Simulations Study. Journal of Biomolecular Structure and Dynamics 2022, 40 (4), 1671–1691. https://doi.org/10.1080/07391102.2020.1831960.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4980"
}

Vitorović-Todorović, M. D., Cvijetić, I., Zloh, M.,& Perdih, A.. (2022). Supplementary data for the article: Vitorović-Todorović, M.; Cvijetić, I.; Zloh, M.; Perdih, A. Molecular Recognition of Acetylcholinesterase and Its Subnanomolar Reversible Inhibitor: A Molecular Simulations Study. Journal of Biomolecular Structure and Dynamics 2022, 40 (4), 1671–1691. https://doi.org/10.1080/07391102.2020.1831960.. in Journal of Biomolecular Structure and Dynamics
Taylor & Francis..
https://hdl.handle.net/21.15107/rcub_cherry_4980

Vitorović-Todorović MD, Cvijetić I, Zloh M, Perdih A. Supplementary data for the article: Vitorović-Todorović, M.; Cvijetić, I.; Zloh, M.; Perdih, A. Molecular Recognition of Acetylcholinesterase and Its Subnanomolar Reversible Inhibitor: A Molecular Simulations Study. Journal of Biomolecular Structure and Dynamics 2022, 40 (4), 1671–1691. https://doi.org/10.1080/07391102.2020.1831960.. in Journal of Biomolecular Structure and Dynamics. 2022;.
https://hdl.handle.net/21.15107/rcub_cherry_4980 .

Vitorović-Todorović, Maja D., Cvijetić, Ilija, Zloh, Mire, Perdih, Andrej, "Supplementary data for the article: Vitorović-Todorović, M.; Cvijetić, I.; Zloh, M.; Perdih, A. Molecular Recognition of Acetylcholinesterase and Its Subnanomolar Reversible Inhibitor: A Molecular Simulations Study. Journal of Biomolecular Structure and Dynamics 2022, 40 (4), 1671–1691. https://doi.org/10.1080/07391102.2020.1831960." in Journal of Biomolecular Structure and Dynamics (2022),
https://hdl.handle.net/21.15107/rcub_cherry_4980 .

TY  - JOUR
AU  - Popovic, Ana L.
AU  - Rusmirovic, Jelena D.
AU  - Veličković, Zlate
AU  - Kovacevic, Tihomir
AU  - Jovanovic, Aleksandar
AU  - Cvijetić, Ilija
AU  - Marinkovic, Aleksandar D.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4284
AB  - In-depth kinetic and column adsorption study for diclofenac, DCF, heavy-metal and oxyanions adsorption on highly effective amino-functionalized lignin-based microsphere adsorbent (A-LMS) is examined. The A-LMS was synthesized via inverse suspension copolymerization of industrial kraft lignin with the amino containing grafting-agent (polyethylene imine), and an epoxy chloropropane cross-linker. The batch adsorption results indicated process spontaneity and feasibility of a high removal capacity: DCF(151.13)>>Cd2+(74.84)>Cr(VI)(54.20)>As(V)(53.12)>Ni2+(49.42 mg g−1). The quantum chemical calculated interaction energies reveal stabilization of the A-LMS/DCF complex through the electrostatics and van der Waals interactions. The results from the pseudo-second order and Weber-Morris fitting indicate a fast removal rate; thus, column tests were undertaken. The single resistance mass transfer model, i.e. the mass transfer (kfa) and diffusion coefficient (Deff), shows pore diffusional transport as a rate limiting step. The fitting of the fixed bed column data with empirical models demonstrates the influences of flow rate and adsorbate inlet concentration on the breakthrough behavior. Pore surface diffusion modeling (PSDM) expresses mass transport under applied hydraulic loading rates, calculated breakthrough point adsorption capacities: Cd2+(58.1)>Cr(VI)(54.1)>As(V)(50.9)>>Ni2+(42.9 mg g−1)), without performing the experimentation on a full pilot-scale level, further confirms the high applicability of the A-LMS bio-based adsorbent.
PB  - Elsevier
T2  - Journal of Industrial and Engineering Chemistry
T1  - Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres
VL  - 93
SP  - 302
EP  - 314
DO  - 10.1016/j.jiec.2020.10.006
ER  - 

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

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

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

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

TY  - JOUR
AU  - Ivanovska, Aleksandra
AU  - Lađarević, Jelena
AU  - Pavun, Leposava
AU  - Dojčinović, Biljana P.
AU  - Cvijetić, Ilija
AU  - Mijin, Dušan
AU  - Kostić, Mirjana M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4744
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 and 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 P. and Cvijetić, Ilija and Mijin, Dušan and Kostić, Mirjana M.",
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 and 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. P., Cvijetić, I., Mijin, D.,& Kostić, M. M.. (2021). Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle. in Industrial Crops and Products
Elsevier., 171, 113913.
https://doi.org/10.1016/j.indcrop.2021.113913

Ivanovska A, Lađarević J, Pavun L, Dojčinović BP, Cvijetić I, Mijin D, Kostić MM. Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle. in Industrial Crops and Products. 2021;171:113913.
doi:10.1016/j.indcrop.2021.113913 .

Ivanovska, Aleksandra, Lađarević, Jelena, Pavun, Leposava, Dojčinović, Biljana P., Cvijetić, Ilija, Mijin, Dušan, Kostić, Mirjana M., "Obtaining jute fabrics with enhanced sorption properties and “closing the loop” of their lifecycle" in Industrial Crops and Products, 171 (2021):113913,
https://doi.org/10.1016/j.indcrop.2021.113913 . .

TY  - DATA
AU  - Ivanovska, Aleksandra
AU  - Lađarević, Jelena
AU  - Pavun, Leposava
AU  - Dojčinović, Biljana P.
AU  - Cvijetić, Ilija
AU  - Mijin, Dušan
AU  - Kostić, Mirjana M.
PY  - 2021
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4745
PB  - Elsevier
T2  - Industrial Crops and Products
T1  - Supplementary data for the article: 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. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4745
ER  - 

@misc{
author = "Ivanovska, Aleksandra and Lađarević, Jelena and Pavun, Leposava and Dojčinović, Biljana P. and Cvijetić, Ilija and Mijin, Dušan and Kostić, Mirjana M.",
year = "2021",
publisher = "Elsevier",
journal = "Industrial Crops and Products",
title = "Supplementary data for the article: 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. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4745"
}

Ivanovska, A., Lađarević, J., Pavun, L., Dojčinović, B. P., Cvijetić, I., Mijin, D.,& Kostić, M. M.. (2021). Supplementary data for the article: 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. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.. in Industrial Crops and Products
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4745

Ivanovska A, Lađarević J, Pavun L, Dojčinović BP, Cvijetić I, Mijin D, Kostić MM. Supplementary data for the article: 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. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913.. in Industrial Crops and Products. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4745 .

Ivanovska, Aleksandra, Lađarević, Jelena, Pavun, Leposava, Dojčinović, Biljana P., Cvijetić, Ilija, Mijin, Dušan, Kostić, Mirjana M., "Supplementary data for the article: 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. Industrial Crops and Products 2021, 171, 113913. https://doi.org/10.1016/j.indcrop.2021.113913." in Industrial Crops and Products (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4745 .

TY  - JOUR
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4420
AB  - Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study
VL  - 253
SP  - 119576
DO  - 10.1016/j.saa.2021.119576
ER  - 

@article{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
abstract = "Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible electron donor were investigated to screen promising candidates with a push–pull character based on experimental and quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric acid derivatives were studied with NMR spectra, spectrophotometric determination of the pKa values, and quantum chemical calculations. Linear solvation energy relationships (LSER) and linear free energy relationships (LFER) were applied to the spectral data - UV frequencies and 13C NMR chemical shifts. The experimental studies of the nature of the ground and excited state of investigated compounds were successfully interpreted using a computational chemistry approach including ab initio MP2 geometry optimization and time-dependent DFT calculations of excited states. Quantification of the push–pull character of barbituric acid derivatives was performed by the 13CNMR chemical shift differences, Mayer π bond order analysis, hole-electron distribution analysis, and calculations of intramolecular charge transfer (ICT) indices. The results obtained show, that when coupled with a strong electron-donor, barbituric acid can act as the electron-acceptor in push–pull systems, and when coupled with a strong electron-acceptor, barbituric acid can act as the weak electron-donor.",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study",
volume = "253",
pages = "119576",
doi = "10.1016/j.saa.2021.119576"
}

Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K.. (2021). Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier., 253, 119576.
https://doi.org/10.1016/j.saa.2021.119576

Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;253:119576.
doi:10.1016/j.saa.2021.119576 .

Stojiljković, Ivana N., Rančić, Milica, Marinković, Aleksandar, Cvijetić, Ilija, Milčić, Miloš K., "Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study" in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 253 (2021):119576,
https://doi.org/10.1016/j.saa.2021.119576 . .

TY  - DATA
AU  - Stojiljković, Ivana N.
AU  - Rančić, Milica
AU  - Marinković, Aleksandar
AU  - Cvijetić, Ilija
AU  - Milčić, Miloš K.
PY  - 2021
UR  - https://www.sciencedirect.com/science/article/pii/S1386142521001529
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4421
PB  - Elsevier
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T2  - Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
T1  - Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.
UR  - https://hdl.handle.net/21.15107/rcub_cherry_4421
ER  - 

@misc{
author = "Stojiljković, Ivana N. and Rančić, Milica and Marinković, Aleksandar and Cvijetić, Ilija and Milčić, Miloš K.",
year = "2021",
publisher = "Elsevier",
journal = "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular SpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy",
title = "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.",
url = "https://hdl.handle.net/21.15107/rcub_cherry_4421"
}

Stojiljković, I. N., Rančić, M., Marinković, A., Cvijetić, I.,& Milčić, M. K.. (2021). Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Elsevier..
https://hdl.handle.net/21.15107/rcub_cherry_4421

Stojiljković IN, Rančić M, Marinković A, Cvijetić I, Milčić MK. Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576.. in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_4421 .

Stojiljković, Ivana N., Rančić, Milica, Marinković, Aleksandar, Cvijetić, Ilija, Milčić, Miloš K., "Supplementary data for the article: Stojiljković, I. N.; Rančić, M. P.; Marinković, A. D.; Cvijetić, I. N.; Milčić, M. K. Assessing the Potential of Para-Donor and Para-Acceptor Substituted 5-Benzylidenebarbituric Acid Derivatives as Push–Pull Electronic Systems: Experimental and Quantum Chemical Study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2021, 253, 119576. https://doi.org/10.1016/j.saa.2021.119576." in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2021),
https://hdl.handle.net/21.15107/rcub_cherry_4421 .

TY  - JOUR
AU  - Nešić, Jovica
AU  - Cvijetić, Ilija
AU  - Bogdanov, Jovica
AU  - Marinković, Aleksandar
PY  - 2021
UR  - https://onlinelibrary.wiley.com/doi/abs/10.1002/prep.202100105
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/4612
AB  - Three azido-esters based green energetic plasticizers were synthesized from their chlorides including DEGBAA (diethyleneglycol bis(azidoacetate)), DPGBAA (dipropyleneglycol bis(azidoacetate)) and HETTAA (hexanetriol tris(azidoacetate)). The syntheses were carried out in a two-step process: the first step was esterification of glycol or triol using chloroacetyl chloride, and the second step was substitution of chloracetate with sodium azide that yields corresponding azido derivatives. The parameters of synthesis such as molar ratio of hydroxyl and acyl groups, and amount and type of solvent (dimethyl sulfoxide and dimethyl formamide) were optimized to achieve maximal conversion and purity of the products. The obtained products were characterized by elemental analysis, nuclear magnetic resonance (NMR), and infrared vibrational spectroscopy (IR). Thermal and rheological properties were determined using DSC and Modular Compact Rheometer. Condensed phase heat of formation and several properties important for high-energy materials were predicted from quantum chemical calculations using CBS-4M method. Detonation and combustion performance of energetic compounds were calculated with the thermochemical computer code EXPLO5V06.05. using the predicted heats of formation and experimentally determined densities as input. The energetic and physical properties of the synthesized compounds were compared to the literature data for common plasticizers.
PB  - Wiley
T2  - Propellants, Explosives, Pyrotechnics
T1  - Synthesis and Characterization of Azido Esters as Green Energetic Plasticizers
VL  - 46
IS  - 10
SP  - 1537
EP  - 1546
DO  - 10.1002/prep.202100105
ER  - 

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

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

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

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