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Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry Royal Society of Chemistry., 21(6), 1187-1205. https://doi.org/10.1039/D2OB02119F

Aleksić, Jovana; Stojanović, Milovan; Bošković, Jakša; Baranac-Stojanović, Marija

TY  - DATA
AU  - Aleksić, Jovana
AU  - Stojanović, Milovan
AU  - Bošković, Jakša
AU  - Baranac-Stojanović, Marija
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5846
AB  - We present the green, highly atom-economical, solid-state silica gel-catalyzed synthesis of polysubstituted 1,4- and 1,2-dihydropyridines (DHPs) from commercially available materials, amines and ethyl propiolate. The DHP skeleton was assembled by heating the reactants and silica gel in a closed vessel. Aliphatic amines provided 1,4-isomers as the main or only DHP products, but the reactions of aromatic amines yielded a mixture of 1,4- and 1,2-isomers. To the best of our knowledge, this is the first example of the formation of a 1,2-DHP structure by the reaction of an amine with propiolic ester. Addition of 1 mass percent of H2SO4 to silica gel shifted the product distribution to 1,4-DHP as the main or the only isomer obtained. Experimental and theoretical analyses led to the identification of two key intermediates en route to DHPs and the explanation of the observed regioisomeric ratios. 1,2-DHPs show blue-cyan fluorescence in MeOH with the quantum yield Φ = 0.10–0.22 relative to quinine sulfate Φ = 0.58 and 1,4-DHPs show blue-violet fluorescence with Φ = 0.09–0.81.
PB  - Royal Society of Chemistry
T2  - Organic & Biomolecular Chemistry
T1  - Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F
VL  - 21
IS  - 6
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5846
ER  - 
@misc{
author = "Aleksić, Jovana and Stojanović, Milovan and Bošković, Jakša and Baranac-Stojanović, Marija",
abstract = "We present the green, highly atom-economical, solid-state silica gel-catalyzed synthesis of polysubstituted 1,4- and 1,2-dihydropyridines (DHPs) from commercially available materials, amines and ethyl propiolate. The DHP skeleton was assembled by heating the reactants and silica gel in a closed vessel. Aliphatic amines provided 1,4-isomers as the main or only DHP products, but the reactions of aromatic amines yielded a mixture of 1,4- and 1,2-isomers. To the best of our knowledge, this is the first example of the formation of a 1,2-DHP structure by the reaction of an amine with propiolic ester. Addition of 1 mass percent of H2SO4 to silica gel shifted the product distribution to 1,4-DHP as the main or the only isomer obtained. Experimental and theoretical analyses led to the identification of two key intermediates en route to DHPs and the explanation of the observed regioisomeric ratios. 1,2-DHPs show blue-cyan fluorescence in MeOH with the quantum yield Φ = 0.10–0.22 relative to quinine sulfate Φ = 0.58 and 1,4-DHPs show blue-violet fluorescence with Φ = 0.09–0.81.",
publisher = "Royal Society of Chemistry",
journal = "Organic & Biomolecular Chemistry",
title = "Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F",
volume = "21",
number = "6",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5846"
}
Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M..Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6).
https://hdl.handle.net/21.15107/rcub_cherry_5846
Aleksić J, Stojanović M, Bošković J, Baranac-Stojanović M. Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F. in Organic & Biomolecular Chemistry.21(6).
https://hdl.handle.net/21.15107/rcub_cherry_5846 .
Aleksić, Jovana, Stojanović, Milovan, Bošković, Jakša, Baranac-Stojanović, Marija, "Supplementary material for: Aleksić, J., Stojanović, M., Bošković, J.,& Baranac-Stojanović, M.. (2023). Solid-state silica gel-catalyzed synthesis of fluorescent polysubstituted 1,4- and 1,2-dihydropyridines. in Organic & Biomolecular Chemistry
Royal Society of Chemistry., 21(6), 1187-1205.
https://doi.org/10.1039/D2OB02119F" in Organic & Biomolecular Chemistry, 21, no. 6,
https://hdl.handle.net/21.15107/rcub_cherry_5846 .

Supplementary material for: Đurđić, S., Vlahović, F., Markićević, M., Mutić, J., Manojlović, D., Stanković, V., Švorc, Ľ.,& Stanković, D.. (2023). Application of Screen Printed Diamond Electrode, Coupled with “Point-of-Care” Platform, for Nanomolar Quantification of Phytonutrient Pterostilbene in Dietary Supplements: An Experimental Study Supported by Theory. in Chemosensors MDPI., 11(1), 15. https://doi.org/10.3390/chemosensors11010015

Đurđić, Slađana; Vlahović, Filip; Markićević, Milan; Mutić, Jelena; Manojlović, Dragan D.; Stanković, Vesna; Švorc, Ľubomír; Stanković, Dalibor

TY  - DATA
AU  - Đurđić, Slađana
AU  - Vlahović, Filip
AU  - Markićević, Milan
AU  - Mutić, Jelena
AU  - Manojlović, Dragan D.
AU  - Stanković, Vesna
AU  - Švorc, Ľubomír
AU  - Stanković, Dalibor
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5812
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5839
AB  - Herein, a screen–printed diamond electrode (SPDE) coupled with a “point-of-care” platform (30 µL-drop concepts, single-drop-detection approach) was successfully applied for the electrochemical determination of pterostilbene (PTS). Cyclic voltammetry identified irreversible oxidation of PTS, where oxidation peak was shown to be strongly dependent on the pH of the working environmental. Although the proposition of the detailed electrochemical oxidation mechanism of PTS goes out of the scope of the present research, we have determined the most probable reactive site of our analyte, by utilizing DFT-based reactivity descriptors (Fukui functions). For electrochemical quantification of PTS, oxidation peak at 0.32 V (vs. Ag/AgCl) was followed in presence of 0.5 mol L−1 of Briton–Robinson buffer solution (pH = 9). Coupled with the optimized parameters of differential pulse voltammetry (DPV), SPDE detected PTS in two linear ranges (first range was from 0.011 to 0.912 µmol L−1; second range was from 0.912 to 4.420 µmol L−1), providing the LOD and LOQ on a nanomolar level (3.1 nmol L−1 and 10.0 nmol L−1, respectively). The selectivity of the optimized DPV method was found to be excellent, with the current changes of less than 7%, in the presence of ten times higher concentrations of the certain interferences. The practical applicability of the SPDE and single-drop-detection approach in dietary supplements (with a declared PTS content of 50 mg/tablet), with the recovery values ranging from 95 to 102%, shows that the developed method has high potential for precise and accurate PTS detection, as well as exceptional miniaturization possibilities of relevant equipment for on-site sensing.
PB  - MDPI
T2  - Chemosensors
T1  - Supplementary material for: Đurđić, S., Vlahović, F., Markićević, M., Mutić, J., Manojlović, D., Stanković, V., Švorc, Ľ.,& Stanković, D.. (2023). Application of Screen Printed Diamond Electrode, Coupled with “Point-of-Care” Platform, for Nanomolar Quantification of Phytonutrient Pterostilbene in Dietary Supplements: An Experimental Study Supported by Theory. in Chemosensors MDPI., 11(1), 15. https://doi.org/10.3390/chemosensors11010015
VL  - 11
IS  - 1
SP  - 15
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5839
ER  - 
@misc{
author = "Đurđić, Slađana and Vlahović, Filip and Markićević, Milan and Mutić, Jelena and Manojlović, Dragan D. and Stanković, Vesna and Švorc, Ľubomír and Stanković, Dalibor",
abstract = "Herein, a screen–printed diamond electrode (SPDE) coupled with a “point-of-care” platform (30 µL-drop concepts, single-drop-detection approach) was successfully applied for the electrochemical determination of pterostilbene (PTS). Cyclic voltammetry identified irreversible oxidation of PTS, where oxidation peak was shown to be strongly dependent on the pH of the working environmental. Although the proposition of the detailed electrochemical oxidation mechanism of PTS goes out of the scope of the present research, we have determined the most probable reactive site of our analyte, by utilizing DFT-based reactivity descriptors (Fukui functions). For electrochemical quantification of PTS, oxidation peak at 0.32 V (vs. Ag/AgCl) was followed in presence of 0.5 mol L−1 of Briton–Robinson buffer solution (pH = 9). Coupled with the optimized parameters of differential pulse voltammetry (DPV), SPDE detected PTS in two linear ranges (first range was from 0.011 to 0.912 µmol L−1; second range was from 0.912 to 4.420 µmol L−1), providing the LOD and LOQ on a nanomolar level (3.1 nmol L−1 and 10.0 nmol L−1, respectively). The selectivity of the optimized DPV method was found to be excellent, with the current changes of less than 7%, in the presence of ten times higher concentrations of the certain interferences. The practical applicability of the SPDE and single-drop-detection approach in dietary supplements (with a declared PTS content of 50 mg/tablet), with the recovery values ranging from 95 to 102%, shows that the developed method has high potential for precise and accurate PTS detection, as well as exceptional miniaturization possibilities of relevant equipment for on-site sensing.",
publisher = "MDPI",
journal = "Chemosensors",
title = "Supplementary material for: Đurđić, S., Vlahović, F., Markićević, M., Mutić, J., Manojlović, D., Stanković, V., Švorc, Ľ.,& Stanković, D.. (2023). Application of Screen Printed Diamond Electrode, Coupled with “Point-of-Care” Platform, for Nanomolar Quantification of Phytonutrient Pterostilbene in Dietary Supplements: An Experimental Study Supported by Theory. in Chemosensors MDPI., 11(1), 15. https://doi.org/10.3390/chemosensors11010015",
volume = "11",
number = "1",
pages = "15",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5839"
}
Đurđić, S., Vlahović, F., Markićević, M., Mutić, J., Manojlović, D. D., Stanković, V., Švorc, Ľ.,& Stanković, D..Supplementary material for: Đurđić, S., Vlahović, F., Markićević, M., Mutić, J., Manojlović, D., Stanković, V., Švorc, Ľ.,& Stanković, D.. (2023). Application of Screen Printed Diamond Electrode, Coupled with “Point-of-Care” Platform, for Nanomolar Quantification of Phytonutrient Pterostilbene in Dietary Supplements: An Experimental Study Supported by Theory. in Chemosensors MDPI., 11(1), 15. https://doi.org/10.3390/chemosensors11010015. in Chemosensors
MDPI., 11(1), 15.
https://hdl.handle.net/21.15107/rcub_cherry_5839
Đurđić S, Vlahović F, Markićević M, Mutić J, Manojlović DD, Stanković V, Švorc Ľ, Stanković D. Supplementary material for: Đurđić, S., Vlahović, F., Markićević, M., Mutić, J., Manojlović, D., Stanković, V., Švorc, Ľ.,& Stanković, D.. (2023). Application of Screen Printed Diamond Electrode, Coupled with “Point-of-Care” Platform, for Nanomolar Quantification of Phytonutrient Pterostilbene in Dietary Supplements: An Experimental Study Supported by Theory. in Chemosensors MDPI., 11(1), 15. https://doi.org/10.3390/chemosensors11010015. in Chemosensors.11(1):15.
https://hdl.handle.net/21.15107/rcub_cherry_5839 .
Đurđić, Slađana, Vlahović, Filip, Markićević, Milan, Mutić, Jelena, Manojlović, Dragan D., Stanković, Vesna, Švorc, Ľubomír, Stanković, Dalibor, "Supplementary material for: Đurđić, S., Vlahović, F., Markićević, M., Mutić, J., Manojlović, D., Stanković, V., Švorc, Ľ.,& Stanković, D.. (2023). Application of Screen Printed Diamond Electrode, Coupled with “Point-of-Care” Platform, for Nanomolar Quantification of Phytonutrient Pterostilbene in Dietary Supplements: An Experimental Study Supported by Theory. in Chemosensors MDPI., 11(1), 15. https://doi.org/10.3390/chemosensors11010015" in Chemosensors, 11, no. 1:15,
https://hdl.handle.net/21.15107/rcub_cherry_5839 .

Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636

Penjišević, Jelena ; Šukalović, Vladimir ; Dukić-Stefanović, Slađana; Deuther-Conrad, Winnie; Andrić, Deana ; Kostić-Rajačić, Slađana

TY  - DATA
AU  - Penjišević, Jelena 
AU  - Šukalović, Vladimir 
AU  - Dukić-Stefanović, Slađana
AU  - Deuther-Conrad, Winnie
AU  - Andrić, Deana 
AU  - Kostić-Rajačić, Slađana
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5845
AB  - Serotonin receptors modulate numerous behavioral and neuropsychological processes. Therefore, they are the target for the action of many drugs, such as antipsychotics, antidepressants, antiemetics, migraine remedies, and many others. The 5-HT1A receptors have been involved in the pathogenesis and treatment of anxiety and depression and represent a promising target for new drugs with reduced extrapyramidal side effects. In most antidepressants, a piperazine-based structural motif can be identified as a common moiety. Here we describe the synthesis, pharmacological, and in silico characterization of a novel arylpiperazines series with excellent 5-HT1A affinity. The final compounds, 4a, 8a, and 8b, were selected according to predictions of in silico pharmacokinetics, docking analysis, and molecular dynamics in conjunction with physical properties, and metabolic stability. The accentuated molecules could serve as a lead compound for developing 5-HT1A drug-like molecules for depression treatment.
PB  - Elsevier
T2  - Arabian Journal of Chemistry
T1  - Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636
VL  - 16
IS  - 4
SP  - 104636
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5845
ER  - 
@misc{
author = "Penjišević, Jelena  and Šukalović, Vladimir  and Dukić-Stefanović, Slađana and Deuther-Conrad, Winnie and Andrić, Deana  and Kostić-Rajačić, Slađana",
abstract = "Serotonin receptors modulate numerous behavioral and neuropsychological processes. Therefore, they are the target for the action of many drugs, such as antipsychotics, antidepressants, antiemetics, migraine remedies, and many others. The 5-HT1A receptors have been involved in the pathogenesis and treatment of anxiety and depression and represent a promising target for new drugs with reduced extrapyramidal side effects. In most antidepressants, a piperazine-based structural motif can be identified as a common moiety. Here we describe the synthesis, pharmacological, and in silico characterization of a novel arylpiperazines series with excellent 5-HT1A affinity. The final compounds, 4a, 8a, and 8b, were selected according to predictions of in silico pharmacokinetics, docking analysis, and molecular dynamics in conjunction with physical properties, and metabolic stability. The accentuated molecules could serve as a lead compound for developing 5-HT1A drug-like molecules for depression treatment.",
publisher = "Elsevier",
journal = "Arabian Journal of Chemistry",
title = "Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636",
volume = "16",
number = "4",
pages = "104636",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5845"
}
Penjišević, J., Šukalović, V., Dukić-Stefanović, S., Deuther-Conrad, W., Andrić, D.,& Kostić-Rajačić, S..Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636. in Arabian Journal of Chemistry
Elsevier., 16(4), 104636.
https://hdl.handle.net/21.15107/rcub_cherry_5845
Penjišević J, Šukalović V, Dukić-Stefanović S, Deuther-Conrad W, Andrić D, Kostić-Rajačić S. Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636. in Arabian Journal of Chemistry.16(4):104636.
https://hdl.handle.net/21.15107/rcub_cherry_5845 .
Penjišević, Jelena , Šukalović, Vladimir , Dukić-Stefanović, Slađana, Deuther-Conrad, Winnie, Andrić, Deana , Kostić-Rajačić, Slađana, "Supplementary material for: Penjišević, J. Z., Šukalović, V. B., Dukic-Stefanovic, S., Deuther-Conrad, W., Andrić, D. B.,& Kostić-Rajačić, S. V.. (2023). Synthesis of novel 5-HT1A arylpiperazine ligands: Binding data and computer-aided analysis of pharmacological potency. in Arabian Journal of Chemistry Elsevier., 16(4), 104636. https://doi.org/10.1016/j.arabjc.2023.104636" in Arabian Journal of Chemistry, 16, no. 4:104636,
https://hdl.handle.net/21.15107/rcub_cherry_5845 .

Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives

Veljković, Ivana; Đunović, Aleksandra; Veljković, Dušan

(Serbian Chemical Society, 2023-06-01)

TY  - CONF
AU  - Veljković, Ivana
AU  - Đunović, Aleksandra
AU  - Veljković, Dušan
PY  - 2023-06-01
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6006
AB  - Positive values of electrostatic potential on the surface of high-energy molecules are a
good indicator of the high sensitivity towards detonation. Here we used Bond Dissociation
Energy and Molecular Electrostatic Potential calculations to predict the influence of the
halogen substituents on the detonation properties of selected halogen-containing
dinitronaphthalenes. Results of ab initio calculations indicated that halogen substituents
may affect the geometry of the nitro- groups and lead to decreased stability of the weakest
C-N bonds. Presence of halogen substituents also affects the values of the electrostatic
potentials in the central regions of the molecular surfaces.
PB  - Serbian Chemical Society
C3  - 59th Meeting of the Serbian Chemical Society, Book of Abstracts / Proceedings
T1  - Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives
SP  - 113
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6006
ER  - 
@conference{
author = "Veljković, Ivana and Đunović, Aleksandra and Veljković, Dušan",
year = "2023-06-01",
abstract = "Positive values of electrostatic potential on the surface of high-energy molecules are a
good indicator of the high sensitivity towards detonation. Here we used Bond Dissociation
Energy and Molecular Electrostatic Potential calculations to predict the influence of the
halogen substituents on the detonation properties of selected halogen-containing
dinitronaphthalenes. Results of ab initio calculations indicated that halogen substituents
may affect the geometry of the nitro- groups and lead to decreased stability of the weakest
C-N bonds. Presence of halogen substituents also affects the values of the electrostatic
potentials in the central regions of the molecular surfaces.",
publisher = "Serbian Chemical Society",
journal = "59th Meeting of the Serbian Chemical Society, Book of Abstracts / Proceedings",
title = "Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives",
pages = "113",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6006"
}
Veljković, I., Đunović, A.,& Veljković, D.. (2023-06-01). Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts / Proceedings
Serbian Chemical Society., 113.
https://hdl.handle.net/21.15107/rcub_cherry_6006
Veljković I, Đunović A, Veljković D. Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives. in 59th Meeting of the Serbian Chemical Society, Book of Abstracts / Proceedings. 2023;:113.
https://hdl.handle.net/21.15107/rcub_cherry_6006 .
Veljković, Ivana, Đunović, Aleksandra, Veljković, Dušan, "Theoretical study of the influence of halogen substituents on sensitivity of polycyclic nitroaromatic explosives" in 59th Meeting of the Serbian Chemical Society, Book of Abstracts / Proceedings (2023-06-01):113,
https://hdl.handle.net/21.15107/rcub_cherry_6006 .

Kit za amplifikaciju signala sekundarnih antitela u indirektnim ELISA esejima imuno-PCR-om

Ćirković Veličković, Tanja; Radomirović, Mirjana; Stanić-Vučinić, Dragana

(Zavod za intelektualnu svojinu Republike Srbije, 2023)

TY  - PAT
AU  - Ćirković Veličković, Tanja
AU  - Radomirović, Mirjana
AU  - Stanić-Vučinić, Dragana
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6007
AB  - Предметни проналазак се односи на област биоаналитике и представља универзални кит за амплификацију сигнала секундарних антитела у ЕЛИСА есејима имуно-ПЦР-ом. Описане су компоненте кита, укључујући маркер нуклеинске киселине који садржи унапред одређену нуклеотидну секвенцу, као и везни молекул способан да са једне стране специфично веже рецептор који није нуклеинска киселина, а који је способан да специфично веже аналит имобилисан на чврстом носачу везивањем за други рецептор који није нуклеинска киселина, и са друге стране да специфично веже маркер нуклеинске киселине. Поступци за специфично откривање присуства маркера нуклеинске киселине у комплексу везног молекула са аналитом, који укључују амплификацију нуклеинске киселине у ПЦР реакцији у реалном времену, и указују на присуство аналита у поменутом узорку, су такође обезбеђени. Предметни проналазак може да буде коришћен за изузетно осетљиву и специфичну детекцију широког спектра анaлита, за који могу да се произведу специфична антитела, у области медицине, прехрамбене индустрије и биотехнологије.
AB  - The present invention belongs to the field of bioanalytics and relates to universal kit for amplification of secondary antibodies signal in ELISA assays by immuno-PCR. Kit komponents include nucleic acid marker comprising of predetermined nucleotide sequence, as well as linker molecule, which is on one hand capable of specifically binding non-nucleic acid receptor that is capable of binding to solid surface-immobilized analyte, and on other hand is capable to specifically bind nucleic acid marker. Methods for specific detection of presence of nucleic acid marker in complex with analyte through linker molecule, that include amplification of nucleic acid marker in real-time PCR, wherein the presence of nucleic acid markers indicates presence of analyte in said sample, are also provided. The present invention can be used for sensitive and specific detection of wide range of analytes, for which specific antibodies can be produced, in the field of medicine, food industry and biotechnology.
PB  - Zavod za intelektualnu svojinu Republike Srbije
T2  - Glasnik intelektualne svojine
T1  - Kit za amplifikaciju signala sekundarnih antitela u indirektnim ELISA esejima imuno-PCR-om
IS  - 9
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6007
ER  - 
@misc{
author = "Ćirković Veličković, Tanja and Radomirović, Mirjana and Stanić-Vučinić, Dragana",
year = "2023",
abstract = "Предметни проналазак се односи на област биоаналитике и представља универзални кит за амплификацију сигнала секундарних антитела у ЕЛИСА есејима имуно-ПЦР-ом. Описане су компоненте кита, укључујући маркер нуклеинске киселине који садржи унапред одређену нуклеотидну секвенцу, као и везни молекул способан да са једне стране специфично веже рецептор који није нуклеинска киселина, а који је способан да специфично веже аналит имобилисан на чврстом носачу везивањем за други рецептор који није нуклеинска киселина, и са друге стране да специфично веже маркер нуклеинске киселине. Поступци за специфично откривање присуства маркера нуклеинске киселине у комплексу везног молекула са аналитом, који укључују амплификацију нуклеинске киселине у ПЦР реакцији у реалном времену, и указују на присуство аналита у поменутом узорку, су такође обезбеђени. Предметни проналазак може да буде коришћен за изузетно осетљиву и специфичну детекцију широког спектра анaлита, за који могу да се произведу специфична антитела, у области медицине, прехрамбене индустрије и биотехнологије., The present invention belongs to the field of bioanalytics and relates to universal kit for amplification of secondary antibodies signal in ELISA assays by immuno-PCR. Kit komponents include nucleic acid marker comprising of predetermined nucleotide sequence, as well as linker molecule, which is on one hand capable of specifically binding non-nucleic acid receptor that is capable of binding to solid surface-immobilized analyte, and on other hand is capable to specifically bind nucleic acid marker. Methods for specific detection of presence of nucleic acid marker in complex with analyte through linker molecule, that include amplification of nucleic acid marker in real-time PCR, wherein the presence of nucleic acid markers indicates presence of analyte in said sample, are also provided. The present invention can be used for sensitive and specific detection of wide range of analytes, for which specific antibodies can be produced, in the field of medicine, food industry and biotechnology.",
publisher = "Zavod za intelektualnu svojinu Republike Srbije",
journal = "Glasnik intelektualne svojine",
title = "Kit za amplifikaciju signala sekundarnih antitela u indirektnim ELISA esejima imuno-PCR-om",
number = "9",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6007"
}
Ćirković Veličković, T., Radomirović, M.,& Stanić-Vučinić, D.. (2023). Kit za amplifikaciju signala sekundarnih antitela u indirektnim ELISA esejima imuno-PCR-om. in Glasnik intelektualne svojine
Zavod za intelektualnu svojinu Republike Srbije.(9).
https://hdl.handle.net/21.15107/rcub_cherry_6007
Ćirković Veličković T, Radomirović M, Stanić-Vučinić D. Kit za amplifikaciju signala sekundarnih antitela u indirektnim ELISA esejima imuno-PCR-om. in Glasnik intelektualne svojine. 2023;(9).
https://hdl.handle.net/21.15107/rcub_cherry_6007 .
Ćirković Veličković, Tanja, Radomirović, Mirjana, Stanić-Vučinić, Dragana, "Kit za amplifikaciju signala sekundarnih antitela u indirektnim ELISA esejima imuno-PCR-om" in Glasnik intelektualne svojine, no. 9 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6007 .

Organsko-geohemijska karakterizacija priobalnih sedimenata reke Save i močvarnog zemljišta Obrenovačkog zabrana

Vulićević, Biljana

(2023)

TY  - THES
AU  - Vulićević, Biljana
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5776
AB  - U okviru ovog rada analizirani su uzorci sedimenata i zemljišta zaštićenog prirodnog dobra “Obrenovački zabran” u Obrenovcu. Uzorci su uzeti sa dva lokaliteta, priobalni uzorci sedimenta Save, i uzorci zemljišta iz močvare koja je često poplavljena vodama iz Kolubare. Ispitivanja su podrazumevala izolovanje rastvorne organske supstance, bitumen, metodom Soksklet ekstrakcije, razdvajanje frakcija hromatografijom na koloni, i analizu zasićenih i aromatičnih frakcija gasnohromatografsko-masenospektometrijskom analizom (GC-MS).
Cilj ovog istraživanja je utvrđivanje porekla organske supstance u uzorcima obalnih sedimenata Save i močvarnog zemljišta Obrenovačkog zabrana, na osnovu raspodele i relativne obilnosti ugljovodonika.
T1  - Organsko-geohemijska karakterizacija priobalnih sedimenata reke Save i močvarnog zemljišta Obrenovačkog zabrana
SP  - 1
EP  - 70
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5776
ER  - 
@mastersthesis{
author = "Vulićević, Biljana",
year = "2023",
abstract = "U okviru ovog rada analizirani su uzorci sedimenata i zemljišta zaštićenog prirodnog dobra “Obrenovački zabran” u Obrenovcu. Uzorci su uzeti sa dva lokaliteta, priobalni uzorci sedimenta Save, i uzorci zemljišta iz močvare koja je često poplavljena vodama iz Kolubare. Ispitivanja su podrazumevala izolovanje rastvorne organske supstance, bitumen, metodom Soksklet ekstrakcije, razdvajanje frakcija hromatografijom na koloni, i analizu zasićenih i aromatičnih frakcija gasnohromatografsko-masenospektometrijskom analizom (GC-MS).
Cilj ovog istraživanja je utvrđivanje porekla organske supstance u uzorcima obalnih sedimenata Save i močvarnog zemljišta Obrenovačkog zabrana, na osnovu raspodele i relativne obilnosti ugljovodonika.",
title = "Organsko-geohemijska karakterizacija priobalnih sedimenata reke Save i močvarnog zemljišta Obrenovačkog zabrana",
pages = "1-70",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5776"
}
Vulićević, B.. (2023). Organsko-geohemijska karakterizacija priobalnih sedimenata reke Save i močvarnog zemljišta Obrenovačkog zabrana. , 1-70.
https://hdl.handle.net/21.15107/rcub_cherry_5776
Vulićević B. Organsko-geohemijska karakterizacija priobalnih sedimenata reke Save i močvarnog zemljišta Obrenovačkog zabrana. 2023;:1-70.
https://hdl.handle.net/21.15107/rcub_cherry_5776 .
Vulićević, Biljana, "Organsko-geohemijska karakterizacija priobalnih sedimenata reke Save i močvarnog zemljišta Obrenovačkog zabrana" (2023):1-70,
https://hdl.handle.net/21.15107/rcub_cherry_5776 .

Geochemical Characteristics of Crude Oils from the Sharara-C Oil Field, Murzuq Basin, Southwestern Libya

Saheed, Ramadan Musbah M.; Knudsen, Tatjana Šolević; Faraj, Musbah Abduljalil M.; Nytoft, Hans Peter; Jovančićević, Branimir

(2023)

TY  - JOUR
AU  - Saheed, Ramadan Musbah M.
AU  - Knudsen, Tatjana Šolević
AU  - Faraj, Musbah Abduljalil M.
AU  - Nytoft, Hans Peter
AU  - Jovančićević, Branimir
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5795
AB  - Crude oil samples from the Sharara-C oil field (Concession NC-115, Murzuq Basin, SW Libya) were analysed by organic geochemical methods in order to infer the geochemical characteristics of their respective source rocks. Aromatic hydrocarbons were analysed by gas chromatography – mass spectrometry (GC-MS), and gas chromatography – tandem mass spectrometry (GC-MS-MS) was used to analyse saturated biomarkers. The Sharara-C oils are interpreted to have been generated by marine shales containing mixed terrigenous and marine organic materials deposited in an intermediate (suboxic) environment. Age-specific biomarker ratios indicated that the oils are older than Cretaceous, and maturation-related parameters pointed to their high thermal maturity. Consistent with previous studies, source rocks are inferred to be “hot” shales in the Lower Silurian Tanezzuft Formation. Almost all the parameter ratios calculated varied over a very narrow range, indicating that the investigated oils were compositionally similar. The only significant difference that was noted concerned the sterane/hopane ratios whose variation suggested that there was some variability in the composition of the source organic material. The organic geochemical parameters determined for the Sharara-C crude oils were compared with published data on other crude oils from Concession NC-115. Almost all the parameters agreed well with previously published data on oils from this part of the Murzuq Basin. The greatest deviation concerned the values of some of the maturity parameters. This tended to confirm the conclusions of previous studies concerning the presence of a number of distinct oil families and sub-families in the Sharara oil field area which are genetically related but which have different maturities.
T2  - Journal of Petroleum Geology
T1  - Geochemical Characteristics of Crude Oils from the Sharara-C Oil Field, Murzuq Basin, Southwestern Libya
VL  - 46
IS  - 1
SP  - 103
EP  - 123
DO  - 10.1111/jpg.12832
ER  - 
@article{
author = "Saheed, Ramadan Musbah M. and Knudsen, Tatjana Šolević and Faraj, Musbah Abduljalil M. and Nytoft, Hans Peter and Jovančićević, Branimir",
year = "2023",
abstract = "Crude oil samples from the Sharara-C oil field (Concession NC-115, Murzuq Basin, SW Libya) were analysed by organic geochemical methods in order to infer the geochemical characteristics of their respective source rocks. Aromatic hydrocarbons were analysed by gas chromatography – mass spectrometry (GC-MS), and gas chromatography – tandem mass spectrometry (GC-MS-MS) was used to analyse saturated biomarkers. The Sharara-C oils are interpreted to have been generated by marine shales containing mixed terrigenous and marine organic materials deposited in an intermediate (suboxic) environment. Age-specific biomarker ratios indicated that the oils are older than Cretaceous, and maturation-related parameters pointed to their high thermal maturity. Consistent with previous studies, source rocks are inferred to be “hot” shales in the Lower Silurian Tanezzuft Formation. Almost all the parameter ratios calculated varied over a very narrow range, indicating that the investigated oils were compositionally similar. The only significant difference that was noted concerned the sterane/hopane ratios whose variation suggested that there was some variability in the composition of the source organic material. The organic geochemical parameters determined for the Sharara-C crude oils were compared with published data on other crude oils from Concession NC-115. Almost all the parameters agreed well with previously published data on oils from this part of the Murzuq Basin. The greatest deviation concerned the values of some of the maturity parameters. This tended to confirm the conclusions of previous studies concerning the presence of a number of distinct oil families and sub-families in the Sharara oil field area which are genetically related but which have different maturities.",
journal = "Journal of Petroleum Geology",
title = "Geochemical Characteristics of Crude Oils from the Sharara-C Oil Field, Murzuq Basin, Southwestern Libya",
volume = "46",
number = "1",
pages = "103-123",
doi = "10.1111/jpg.12832"
}
Saheed, R. M. M., Knudsen, T. Š., Faraj, M. A. M., Nytoft, H. P.,& Jovančićević, B.. (2023). Geochemical Characteristics of Crude Oils from the Sharara-C Oil Field, Murzuq Basin, Southwestern Libya. in Journal of Petroleum Geology, 46(1), 103-123.
https://doi.org/10.1111/jpg.12832
Saheed RMM, Knudsen TŠ, Faraj MAM, Nytoft HP, Jovančićević B. Geochemical Characteristics of Crude Oils from the Sharara-C Oil Field, Murzuq Basin, Southwestern Libya. in Journal of Petroleum Geology. 2023;46(1):103-123.
doi:10.1111/jpg.12832 .
Saheed, Ramadan Musbah M., Knudsen, Tatjana Šolević, Faraj, Musbah Abduljalil M., Nytoft, Hans Peter, Jovančićević, Branimir, "Geochemical Characteristics of Crude Oils from the Sharara-C Oil Field, Murzuq Basin, Southwestern Libya" in Journal of Petroleum Geology, 46, no. 1 (2023):103-123,
https://doi.org/10.1111/jpg.12832 . .
1

Sorpcija dihlobenila pomoću magnetičnog poroznog amino-funkcionalizovanog nanokompozita

Petrović, Nevena

(2023)

TY  - THES
AU  - Petrović, Nevena
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5833
AB  - Cilj istraživanja u ovom radu je ispitivanje primene magnetičnog amino-funkcionalizovanog nanokompozita na bazi glicidil-metakrilata, kao potencijalnog sorbenta koji je prethodno sintetisan i okarakterisan, optimizacija procesa sorpcije dihlobenila iz vodenog rastvora i ispitivanje efikasnosti adsorpcije na realnim uzorcima.
T1  - Sorpcija dihlobenila pomoću magnetičnog poroznog amino-funkcionalizovanog nanokompozita
SP  - 7
EP  - 57
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5833
ER  - 
@mastersthesis{
author = "Petrović, Nevena",
year = "2023",
abstract = "Cilj istraživanja u ovom radu je ispitivanje primene magnetičnog amino-funkcionalizovanog nanokompozita na bazi glicidil-metakrilata, kao potencijalnog sorbenta koji je prethodno sintetisan i okarakterisan, optimizacija procesa sorpcije dihlobenila iz vodenog rastvora i ispitivanje efikasnosti adsorpcije na realnim uzorcima.",
title = "Sorpcija dihlobenila pomoću magnetičnog poroznog amino-funkcionalizovanog nanokompozita",
pages = "7-57",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5833"
}
Petrović, N.. (2023). Sorpcija dihlobenila pomoću magnetičnog poroznog amino-funkcionalizovanog nanokompozita. , 7-57.
https://hdl.handle.net/21.15107/rcub_cherry_5833
Petrović N. Sorpcija dihlobenila pomoću magnetičnog poroznog amino-funkcionalizovanog nanokompozita. 2023;:7-57.
https://hdl.handle.net/21.15107/rcub_cherry_5833 .
Petrović, Nevena, "Sorpcija dihlobenila pomoću magnetičnog poroznog amino-funkcionalizovanog nanokompozita" (2023):7-57,
https://hdl.handle.net/21.15107/rcub_cherry_5833 .

The influence on microorganisms of heavy metals from refiner’s spent desulphurisation catalysts

Jednak Berić, Tanja; Avdalović, Jelena; Milić, Jelena; Teofilović, Vesna; Vrvić, Miroslav; Jovančićević, Branimir; Miletić, Srđan

(Taylor & Francis, 2023)

TY  - JOUR
AU  - Jednak Berić, Tanja
AU  - Avdalović, Jelena
AU  - Milić, Jelena
AU  - Teofilović, Vesna
AU  - Vrvić, Miroslav
AU  - Jovančićević, Branimir
AU  - Miletić, Srđan
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5977
AB  - Refinery wastes generated in conventional crude oil refining processes, or in accidental situations, are complex substrates for treatment and disposal. Petroleum desulphurisation catalysts can also be hazardous refinery waste. They contain various metals, such as cobalt, molybdenum, nickel and tungsten. In this paper, three petroleum refiner’s spent desulphurisation catalysts were investigated. These catalysts were not suitable for recycling and, therefore, were classified as hazardous waste. They were chemically characterised, including phase composition and their effect on a consortium of microorganisms used in the process of bioremediation. Catalysts contained up to 2.26 g kg−1 of total petroleum hydrocarbons, up to 56.7 g kg−1 of iron, 18.6 g kg−1 of molybdenum, and less than 0.1 mg kg−1 each of cobalt and nickel. These obtained results show that bioremediation of such waste is possible.
PB  - Taylor & Francis
T2  - Chemistry and Ecology
T1  - The influence on microorganisms of heavy metals from refiner’s spent desulphurisation catalysts
VL  - 39
IS  - 2
DO  - 10.1080/02757540.2022.2158185
ER  - 
@article{
author = "Jednak Berić, Tanja and Avdalović, Jelena and Milić, Jelena and Teofilović, Vesna and Vrvić, Miroslav and Jovančićević, Branimir and Miletić, Srđan",
year = "2023",
abstract = "Refinery wastes generated in conventional crude oil refining processes, or in accidental situations, are complex substrates for treatment and disposal. Petroleum desulphurisation catalysts can also be hazardous refinery waste. They contain various metals, such as cobalt, molybdenum, nickel and tungsten. In this paper, three petroleum refiner’s spent desulphurisation catalysts were investigated. These catalysts were not suitable for recycling and, therefore, were classified as hazardous waste. They were chemically characterised, including phase composition and their effect on a consortium of microorganisms used in the process of bioremediation. Catalysts contained up to 2.26 g kg−1 of total petroleum hydrocarbons, up to 56.7 g kg−1 of iron, 18.6 g kg−1 of molybdenum, and less than 0.1 mg kg−1 each of cobalt and nickel. These obtained results show that bioremediation of such waste is possible.",
publisher = "Taylor & Francis",
journal = "Chemistry and Ecology",
title = "The influence on microorganisms of heavy metals from refiner’s spent desulphurisation catalysts",
volume = "39",
number = "2",
doi = "10.1080/02757540.2022.2158185"
}
Jednak Berić, T., Avdalović, J., Milić, J., Teofilović, V., Vrvić, M., Jovančićević, B.,& Miletić, S.. (2023). The influence on microorganisms of heavy metals from refiner’s spent desulphurisation catalysts. in Chemistry and Ecology
Taylor & Francis., 39(2).
https://doi.org/10.1080/02757540.2022.2158185
Jednak Berić T, Avdalović J, Milić J, Teofilović V, Vrvić M, Jovančićević B, Miletić S. The influence on microorganisms of heavy metals from refiner’s spent desulphurisation catalysts. in Chemistry and Ecology. 2023;39(2).
doi:10.1080/02757540.2022.2158185 .
Jednak Berić, Tanja, Avdalović, Jelena, Milić, Jelena, Teofilović, Vesna, Vrvić, Miroslav, Jovančićević, Branimir, Miletić, Srđan, "The influence on microorganisms of heavy metals from refiner’s spent desulphurisation catalysts" in Chemistry and Ecology, 39, no. 2 (2023),
https://doi.org/10.1080/02757540.2022.2158185 . .
1

Isolation of Garlic Bioactives by Pressurized Liquid and Subcritical Water Extraction

Krstić, Marko; Teslić, Nemanja; Bošković, Perica; Obradović, Darija; Zeković, Zoran P.; Milić, Anita; Pavlić, Branimir

(MDPI, 2023)

TY  - JOUR
AU  - Krstić, Marko
AU  - Teslić, Nemanja
AU  - Bošković, Perica
AU  - Obradović, Darija
AU  - Zeković, Zoran P.
AU  - Milić, Anita
AU  - Pavlić, Branimir
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5815
AB  - Garlic (Allium sativum L.) is widely used in various food products and traditional medicine. Besides unique taste and flavour, it is well known for its chemical profile and bioactive potential. The aim of this study was to apply subcritical water extraction (SWE) and pressurized liquid extraction (PLE) for the extraction of bioactive compounds from the Ranco genotype of garlic. Moreover, PLE process was optimized using response surface methodology (RSM) in order to determine effects and optimize ethanol concentration (45–75%), number of cycles (1–3), extraction time (1–3 min) and temperature (70–110 °C) for maximized total phenols content (TP) and antioxidant activity evaluated by various in vitro assays. Furthermore, temperature effect in SWE process on all responses was evaluated, while allicin content (AC), as a major organosulphur compound, was determined in all samples. Results indicated that PLE provided tremendous advantage over SWE in terms of improved yield and antioxidant activity of garlic extracts. Therefore, high-pressure processes could be used as clean and green procedures for the isolation of garlic bioactives.
PB  - MDPI
T2  - Molecules
T1  - Isolation of Garlic Bioactives by Pressurized Liquid and Subcritical Water Extraction
VL  - 28
IS  - 1
SP  - 369
DO  - 10.3390/molecules28010369
ER  - 
@article{
author = "Krstić, Marko and Teslić, Nemanja and Bošković, Perica and Obradović, Darija and Zeković, Zoran P. and Milić, Anita and Pavlić, Branimir",
year = "2023",
abstract = "Garlic (Allium sativum L.) is widely used in various food products and traditional medicine. Besides unique taste and flavour, it is well known for its chemical profile and bioactive potential. The aim of this study was to apply subcritical water extraction (SWE) and pressurized liquid extraction (PLE) for the extraction of bioactive compounds from the Ranco genotype of garlic. Moreover, PLE process was optimized using response surface methodology (RSM) in order to determine effects and optimize ethanol concentration (45–75%), number of cycles (1–3), extraction time (1–3 min) and temperature (70–110 °C) for maximized total phenols content (TP) and antioxidant activity evaluated by various in vitro assays. Furthermore, temperature effect in SWE process on all responses was evaluated, while allicin content (AC), as a major organosulphur compound, was determined in all samples. Results indicated that PLE provided tremendous advantage over SWE in terms of improved yield and antioxidant activity of garlic extracts. Therefore, high-pressure processes could be used as clean and green procedures for the isolation of garlic bioactives.",
publisher = "MDPI",
journal = "Molecules",
title = "Isolation of Garlic Bioactives by Pressurized Liquid and Subcritical Water Extraction",
volume = "28",
number = "1",
pages = "369",
doi = "10.3390/molecules28010369"
}
Krstić, M., Teslić, N., Bošković, P., Obradović, D., Zeković, Z. P., Milić, A.,& Pavlić, B.. (2023). Isolation of Garlic Bioactives by Pressurized Liquid and Subcritical Water Extraction. in Molecules
MDPI., 28(1), 369.
https://doi.org/10.3390/molecules28010369
Krstić M, Teslić N, Bošković P, Obradović D, Zeković ZP, Milić A, Pavlić B. Isolation of Garlic Bioactives by Pressurized Liquid and Subcritical Water Extraction. in Molecules. 2023;28(1):369.
doi:10.3390/molecules28010369 .
Krstić, Marko, Teslić, Nemanja, Bošković, Perica, Obradović, Darija, Zeković, Zoran P., Milić, Anita, Pavlić, Branimir, "Isolation of Garlic Bioactives by Pressurized Liquid and Subcritical Water Extraction" in Molecules, 28, no. 1 (2023):369,
https://doi.org/10.3390/molecules28010369 . .
3
3

HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration

Ivanović, Stefan; Gođevac, Dejan; Ristivojević, Petar; Zdunić, Gordana; Stojanović, Danilo; Šavikin, Katarina

(2023)

TY  - JOUR
AU  - Ivanović, Stefan
AU  - Gođevac, Dejan
AU  - Ristivojević, Petar
AU  - Zdunić, Gordana
AU  - Stojanović, Danilo
AU  - Šavikin, Katarina
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5794
AB  - IntroductionChokeberry is a plant belonging to the family Rosaceae which has a long history of edible and medicinal use. The aims of this study are: i) to investigate of HPTLC profile of the berry samples using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of investigated chokeberry adulterations iii) to identify the most important botanical markers responsible for classification.MethodsA simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in combination with multivariate techniques for differentiating chokeberry samples and identification of the main metabolites of chokeberry and four common adulterants. Images of HPTLC chromatograms obtained using two different detections i.e. visible light and derivatization with natural products reagent were used as a dataset for multivariate analysis.ResultsPrincipal component analysis and Orthogonal Partial Least Squares Discriminant Analysis confirmed the discrimination of five botanically different samples and recognized their main markers such as responsible for differences between chokeberry and four common adulterants.ConclusionThe obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration.
T2  - Journal of Herbal Medicine
T1  - HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration
VL  - 37
SP  - 100618
DO  - 10.1016/j.hermed.2022.100618
ER  - 
@article{
author = "Ivanović, Stefan and Gođevac, Dejan and Ristivojević, Petar and Zdunić, Gordana and Stojanović, Danilo and Šavikin, Katarina",
year = "2023",
abstract = "IntroductionChokeberry is a plant belonging to the family Rosaceae which has a long history of edible and medicinal use. The aims of this study are: i) to investigate of HPTLC profile of the berry samples using HPTLC technique based metabolomics approach, ii) to determine the botanical origin of investigated chokeberry adulterations iii) to identify the most important botanical markers responsible for classification.MethodsA simple, rapid, and high-throughput planar chromatography (HPTLC) method was applied in combination with multivariate techniques for differentiating chokeberry samples and identification of the main metabolites of chokeberry and four common adulterants. Images of HPTLC chromatograms obtained using two different detections i.e. visible light and derivatization with natural products reagent were used as a dataset for multivariate analysis.ResultsPrincipal component analysis and Orthogonal Partial Least Squares Discriminant Analysis confirmed the discrimination of five botanically different samples and recognized their main markers such as responsible for differences between chokeberry and four common adulterants.ConclusionThe obtained results showed that the HPTLC-based metabolomics approach can be a very reliable technique for the detection of chokeberry adulteration.",
journal = "Journal of Herbal Medicine",
title = "HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration",
volume = "37",
pages = "100618",
doi = "10.1016/j.hermed.2022.100618"
}
Ivanović, S., Gođevac, D., Ristivojević, P., Zdunić, G., Stojanović, D.,& Šavikin, K.. (2023). HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration. in Journal of Herbal Medicine, 37, 100618.
https://doi.org/10.1016/j.hermed.2022.100618
Ivanović S, Gođevac D, Ristivojević P, Zdunić G, Stojanović D, Šavikin K. HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration. in Journal of Herbal Medicine. 2023;37:100618.
doi:10.1016/j.hermed.2022.100618 .
Ivanović, Stefan, Gođevac, Dejan, Ristivojević, Petar, Zdunić, Gordana, Stojanović, Danilo, Šavikin, Katarina, "HPTLC-based metabolomics approach for the detection of chokeberry (Aronia melanocarpa (Michx.) Elliott) adulteration" in Journal of Herbal Medicine, 37 (2023):100618,
https://doi.org/10.1016/j.hermed.2022.100618 . .
2
1

Modified simultaneous saccharification and fermentation for the production of bioethanol from highly concentrated raw corn starch

Šokarda Slavić, Marinela; Margetić, Aleksandra; Dojnov, Biljana; Vujčić, Miroslava; Mišić, Milan; Božić, Nataša; Vujčić, Zoran

(2023)

TY  - JOUR
AU  - Šokarda Slavić, Marinela
AU  - Margetić, Aleksandra
AU  - Dojnov, Biljana
AU  - Vujčić, Miroslava
AU  - Mišić, Milan
AU  - Božić, Nataša
AU  - Vujčić, Zoran
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5796
AB  - Bioethanol is one of the main bio-based molecules produced mainly from sugar cane, molasses and corn. Its environmental advantages allow it to be considered as safe and the cleanest fuel alternative. Starch is a widespread renewable carbohydrate conventionally used for bioethanol production via energy demanding liquefaction and saccharification processes. Raw starch hydrolysis using enzymes capable of degrading it below the gelatinization temperature significantly simplifies the process and reduces the cost of starch processing. In this study, an innovative modified simultaneous saccharification and fermentation process is proposed for the production of bioethanol from highly concentrated raw corn starch (30 % w/v). A two-step synergistic hydrolysis and fermentation was carried out in a single bioreactor vessel. To ensure high process efficiency, factors influencing the hydrolysis of concentrated raw corn starch by raw starch degrading α-amylase from Bacillus paralicheniformis ATCC 9945a (BliAmy) and commercial glucoamylase were investigated. Box–Behnken experimental design was used to predict the effects of different ratios of added enzymes, glucoamylase addition time, incubation time, and pH on hydrolysis yield. Optimal conditions for the highest yield of hydrolysis of raw corn starch (90 %) were obtained after 8 h using 5.0 IU BliAmy per mg of starch and 0.5 % (v/v) glucoamylase at pH 4.5 and 60 °C. Obtained glucose was further fermented with Saccharomyces cerevisiae at 30 °C in the same vessel for bioethanol production. Bioethanol concentration at 129.2 g/L, with productivity of 2.94 g/L/h and ethanol yield (YP/S) at 0.50 g EtOH/g total sugar, equivalent to 87.8 % theoretical yield, was obtained by modified simultaneous saccharification and fermentation. This work enriches the information of bioethanol production and offers a novel strategy for raw starch hydrolysis under industrial conditions.
T2  - Fuel
T1  - Modified simultaneous saccharification and fermentation for the production of bioethanol from highly concentrated raw corn starch
VL  - 338
SP  - 127363
DO  - 10.1016/j.fuel.2022.127363
ER  - 
@article{
author = "Šokarda Slavić, Marinela and Margetić, Aleksandra and Dojnov, Biljana and Vujčić, Miroslava and Mišić, Milan and Božić, Nataša and Vujčić, Zoran",
year = "2023",
abstract = "Bioethanol is one of the main bio-based molecules produced mainly from sugar cane, molasses and corn. Its environmental advantages allow it to be considered as safe and the cleanest fuel alternative. Starch is a widespread renewable carbohydrate conventionally used for bioethanol production via energy demanding liquefaction and saccharification processes. Raw starch hydrolysis using enzymes capable of degrading it below the gelatinization temperature significantly simplifies the process and reduces the cost of starch processing. In this study, an innovative modified simultaneous saccharification and fermentation process is proposed for the production of bioethanol from highly concentrated raw corn starch (30 % w/v). A two-step synergistic hydrolysis and fermentation was carried out in a single bioreactor vessel. To ensure high process efficiency, factors influencing the hydrolysis of concentrated raw corn starch by raw starch degrading α-amylase from Bacillus paralicheniformis ATCC 9945a (BliAmy) and commercial glucoamylase were investigated. Box–Behnken experimental design was used to predict the effects of different ratios of added enzymes, glucoamylase addition time, incubation time, and pH on hydrolysis yield. Optimal conditions for the highest yield of hydrolysis of raw corn starch (90 %) were obtained after 8 h using 5.0 IU BliAmy per mg of starch and 0.5 % (v/v) glucoamylase at pH 4.5 and 60 °C. Obtained glucose was further fermented with Saccharomyces cerevisiae at 30 °C in the same vessel for bioethanol production. Bioethanol concentration at 129.2 g/L, with productivity of 2.94 g/L/h and ethanol yield (YP/S) at 0.50 g EtOH/g total sugar, equivalent to 87.8 % theoretical yield, was obtained by modified simultaneous saccharification and fermentation. This work enriches the information of bioethanol production and offers a novel strategy for raw starch hydrolysis under industrial conditions.",
journal = "Fuel",
title = "Modified simultaneous saccharification and fermentation for the production of bioethanol from highly concentrated raw corn starch",
volume = "338",
pages = "127363",
doi = "10.1016/j.fuel.2022.127363"
}
Šokarda Slavić, M., Margetić, A., Dojnov, B., Vujčić, M., Mišić, M., Božić, N.,& Vujčić, Z.. (2023). Modified simultaneous saccharification and fermentation for the production of bioethanol from highly concentrated raw corn starch. in Fuel, 338, 127363.
https://doi.org/10.1016/j.fuel.2022.127363
Šokarda Slavić M, Margetić A, Dojnov B, Vujčić M, Mišić M, Božić N, Vujčić Z. Modified simultaneous saccharification and fermentation for the production of bioethanol from highly concentrated raw corn starch. in Fuel. 2023;338:127363.
doi:10.1016/j.fuel.2022.127363 .
Šokarda Slavić, Marinela, Margetić, Aleksandra, Dojnov, Biljana, Vujčić, Miroslava, Mišić, Milan, Božić, Nataša, Vujčić, Zoran, "Modified simultaneous saccharification and fermentation for the production of bioethanol from highly concentrated raw corn starch" in Fuel, 338 (2023):127363,
https://doi.org/10.1016/j.fuel.2022.127363 . .
1
1

Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study

Araškov, Jovana; Ristić, Predrag; Višnjevac, Aleksandar; López-de-Luzuriaga, Jose Marija

(Belgrade : Serbian Crystallographic Society, 2023)

TY  - CONF
AU  - Araškov, Jovana
AU  - Ristić, Predrag
AU  - Višnjevac, Aleksandar
AU  - López-de-Luzuriaga, Jose Marija
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6005
AB  - Јефтина, нискотоксична координациона једињења Zn(II) представљају обећавајуће кандидате за различите примене, укључујући фотолуминесцентне материјале. У овом раду су представљена два комплекса Zn(II) са хидразонил-тиазолским лигандима на бази пиридина (HLS1 и HLS2), који су синтетсани директном реакцијом лиганaда и Zn(CH3COO)2∙2H2O. Пентануклеарни комплекс [Zn5(HLS1)4(CH3COO)6] (1-AcO; Слика 1) кристалише у моноклиничној P21/n просторној групи са половином молекула по асиметричној јединици, при чему се централни јон Zn(II) налази на центру инверзије (Викофово слово c). Мононуклеарни комплекс [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Слика 2) кристалише у триклиничној P¬–1 просторној групи са једним молекулом по асиметричној јединици. Експеримент дифракције X-зрака са узорка праха je потврдио да су добијени једнофазни производи. Урађена је детаљна анализа типова и енергетске дистрибуције интермолекулских интеракција. Симетричан комплекс 1-AcO није фотолуминесцентан, за разлику од комплекса 2-AcO. Квантно-механички прорачуни теорије функционала густине (DFT) и временски зависне теорије функционала густине (TD-DFT) су расветлили порекло фотолуминесцентних својстава комплекса 2-AcO.
AB  - Inexpensive, low-toxic Zn(II) coordination compounds are represent promising candidates for various applications, including photoluminescent materials. In this study we report two zinc(II) complexes with thiazolyl-hydrazone-based ligands (HLS1 and HLS2), which were synthesized by direct reaction of the ligands with Zn(CH3COO)2∙2H2O. Pentanuclear complex [Zn5(HLS1)4(CH3COO)6] (1-AcO; Figure 1) crystalizes in monoclinic P21/n space group with half of the molecule in the asymmetric unit, where Zn3 atoms lie at inversion center (Wyckoff letter c). Mononuclear [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Figure 2) crystalizes in triclinic P‒1 space group with one molecule in the asymmetric unit (Figure 2). Powder X-ray diffraction experiments confirmed that single-phase products were obtained. A detailed analysis of types and energy distribution of intermolecular interactions was performed. The symmetrical 1-AcO does not exhibit photophysical properties, unlike asymmetrical 2-AcO. Quantum-mechanical calculations of density functional theory (DFT) and time-dependent DFT provided insight into origin of the photoluminescent properties of 2-AcO.
PB  - Belgrade : Serbian Crystallographic Society
C3  - 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
T1  - Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6005
ER  - 
@conference{
author = "Araškov, Jovana and Ristić, Predrag and Višnjevac, Aleksandar and López-de-Luzuriaga, Jose Marija",
year = "2023",
abstract = "Јефтина, нискотоксична координациона једињења Zn(II) представљају обећавајуће кандидате за различите примене, укључујући фотолуминесцентне материјале. У овом раду су представљена два комплекса Zn(II) са хидразонил-тиазолским лигандима на бази пиридина (HLS1 и HLS2), који су синтетсани директном реакцијом лиганaда и Zn(CH3COO)2∙2H2O. Пентануклеарни комплекс [Zn5(HLS1)4(CH3COO)6] (1-AcO; Слика 1) кристалише у моноклиничној P21/n просторној групи са половином молекула по асиметричној јединици, при чему се централни јон Zn(II) налази на центру инверзије (Викофово слово c). Мононуклеарни комплекс [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Слика 2) кристалише у триклиничној P¬–1 просторној групи са једним молекулом по асиметричној јединици. Експеримент дифракције X-зрака са узорка праха je потврдио да су добијени једнофазни производи. Урађена је детаљна анализа типова и енергетске дистрибуције интермолекулских интеракција. Симетричан комплекс 1-AcO није фотолуминесцентан, за разлику од комплекса 2-AcO. Квантно-механички прорачуни теорије функционала густине (DFT) и временски зависне теорије функционала густине (TD-DFT) су расветлили порекло фотолуминесцентних својстава комплекса 2-AcO., Inexpensive, low-toxic Zn(II) coordination compounds are represent promising candidates for various applications, including photoluminescent materials. In this study we report two zinc(II) complexes with thiazolyl-hydrazone-based ligands (HLS1 and HLS2), which were synthesized by direct reaction of the ligands with Zn(CH3COO)2∙2H2O. Pentanuclear complex [Zn5(HLS1)4(CH3COO)6] (1-AcO; Figure 1) crystalizes in monoclinic P21/n space group with half of the molecule in the asymmetric unit, where Zn3 atoms lie at inversion center (Wyckoff letter c). Mononuclear [Zn(HLS2)(CH3COO)(H2O)] (2-AcO; Figure 2) crystalizes in triclinic P‒1 space group with one molecule in the asymmetric unit (Figure 2). Powder X-ray diffraction experiments confirmed that single-phase products were obtained. A detailed analysis of types and energy distribution of intermolecular interactions was performed. The symmetrical 1-AcO does not exhibit photophysical properties, unlike asymmetrical 2-AcO. Quantum-mechanical calculations of density functional theory (DFT) and time-dependent DFT provided insight into origin of the photoluminescent properties of 2-AcO.",
publisher = "Belgrade : Serbian Crystallographic Society",
journal = "28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023",
title = "Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6005"
}
Araškov, J., Ristić, P., Višnjevac, A.,& López-de-Luzuriaga, J. M.. (2023). Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
Belgrade : Serbian Crystallographic Society..
https://hdl.handle.net/21.15107/rcub_cherry_6005
Araškov J, Ristić P, Višnjevac A, López-de-Luzuriaga JM. Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6005 .
Araškov, Jovana, Ristić, Predrag, Višnjevac, Aleksandar, López-de-Luzuriaga, Jose Marija, "Mononuclear and pentanuclear Zn(II) complexes with hydrazonyl-thiazoles: structural and photophisical study" in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6005 .

Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone

Ristić, Predrag

(Belgrade : Serbian Crystallographic Society, 2023)

TY  - CONF
AU  - Ristić, Predrag
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6004
AB  - Због своје могућности да оствари координационе бројеве од 2 до 9, високе биодоступност и афинитета према N, O, S-донорским атомима, Zn(II) се користи за синтезе комплекса у циљу њихове специфичне примене. У Кембричкој структурној бази података је депоновано само осам кристалних структура комплекса Zn(II), Cd(II) и Co(III) са 
N-хетероароматичним 1,3-селеназолил-хидразонским лигандима. У овом раду је  фокус био на кристалној структури комплекса Zn(II) са лигандом HLSe2 (2-Cl-Se; Слика 1). Молекулска и кристална структура новог комплекса 2-Cl-Se је упоређена са претходно објављеним Zn(II) комплексом са лигандом HLS2 (2-Cl), структурним аналогом лиганда HLSe2 [1]. Праћен утицај изостерне S/Se замене на топологију и енергетску дистрибуцију интермолекулских интеракција у Zn(II) комплексима са 1,3-селеназолил/тиазолил-хидразонима на бази пиридина.
AB  - Due to its ability to achieve coordination numbers from 2 to 9, high bioavail-ability, and affinity to N, O, and S-donor atoms, Zn(II) is used for the syn-thesis of complexes with the aim of their specific application. Only eight crystal structures of Zn(II), Cd(II), and Co(III) complexes with N-heteroaromatic 1,3-selenazolyl-hydrazone ligands are deposited in the Cam-bridge Structural Database. This work focused on the crystal structure of the Zn(II) complex with the HLSe2 ligand (2-Cl-Se; Figure 1). The molecular and crystal structure of the new 2-Cl-Se complex was compared with the previ-ously published Zn(II) complex with the HLS2 ligand (2-Cl), a structural analog of the HLSe2 ligand [1]. The influence of isosteric S/Se substitution on the topology and energy distribution of intermolecular interactions in Zn(II) complexes with pyridine-based 1,3-selenazolyl/thiazolyl-hydrazones was monitored [1].
PB  - Belgrade : Serbian Crystallographic Society
C3  - 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
T1  - Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6004
ER  - 
@conference{
author = "Ristić, Predrag",
year = "2023",
abstract = "Због своје могућности да оствари координационе бројеве од 2 до 9, високе биодоступност и афинитета према N, O, S-донорским атомима, Zn(II) се користи за синтезе комплекса у циљу њихове специфичне примене. У Кембричкој структурној бази података је депоновано само осам кристалних структура комплекса Zn(II), Cd(II) и Co(III) са 
N-хетероароматичним 1,3-селеназолил-хидразонским лигандима. У овом раду је  фокус био на кристалној структури комплекса Zn(II) са лигандом HLSe2 (2-Cl-Se; Слика 1). Молекулска и кристална структура новог комплекса 2-Cl-Se је упоређена са претходно објављеним Zn(II) комплексом са лигандом HLS2 (2-Cl), структурним аналогом лиганда HLSe2 [1]. Праћен утицај изостерне S/Se замене на топологију и енергетску дистрибуцију интермолекулских интеракција у Zn(II) комплексима са 1,3-селеназолил/тиазолил-хидразонима на бази пиридина., Due to its ability to achieve coordination numbers from 2 to 9, high bioavail-ability, and affinity to N, O, and S-donor atoms, Zn(II) is used for the syn-thesis of complexes with the aim of their specific application. Only eight crystal structures of Zn(II), Cd(II), and Co(III) complexes with N-heteroaromatic 1,3-selenazolyl-hydrazone ligands are deposited in the Cam-bridge Structural Database. This work focused on the crystal structure of the Zn(II) complex with the HLSe2 ligand (2-Cl-Se; Figure 1). The molecular and crystal structure of the new 2-Cl-Se complex was compared with the previ-ously published Zn(II) complex with the HLS2 ligand (2-Cl), a structural analog of the HLSe2 ligand [1]. The influence of isosteric S/Se substitution on the topology and energy distribution of intermolecular interactions in Zn(II) complexes with pyridine-based 1,3-selenazolyl/thiazolyl-hydrazones was monitored [1].",
publisher = "Belgrade : Serbian Crystallographic Society",
journal = "28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023",
title = "Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6004"
}
Ristić, P.. (2023). Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023
Belgrade : Serbian Crystallographic Society..
https://hdl.handle.net/21.15107/rcub_cherry_6004
Ristić P. Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone. in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6004 .
Ristić, Predrag, "Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone" in 28th Conference of the Serbian Crystallographic Society, Čačak, Serbia, June 14–15, 2023 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6004 .

Clofazimine acid-base solubilization: influence of small organic acids’ concentration

Topalović, Igor A.; Marković, Olivera S.; Pešić, Miloš P.; Kathawala, Mufaddal; Serajuddin, Abu T. M.; Avdeef, Alex; Verbić, Tatjana Ž.

(International Association of Physical Chemists, 2023)

TY  - CONF
AU  - Topalović, Igor A.
AU  - Marković, Olivera S.
AU  - Pešić, Miloš P.
AU  - Kathawala, Mufaddal
AU  - Serajuddin, Abu T. M.
AU  - Avdeef, Alex
AU  - Verbić, Tatjana Ž.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5994
AB  - Methods for drug solubilization have become important part of modern drug discovery and 
development due to increasing number of extremely insoluble drugs and drug candidates. 
One of such methods is acid-base supersolubilization (ABS) [1]. Clofazimine (CFZ) is weakly 
basic antibiotic and anti-inflammatory drug, most notably used in the treatment of leprosy
and tuberculosis, with recently proven inhibitory activity against several coronaviruses [2].
We have recently unraveled its aqueous pKa value and its unique cosolvent dependence [3]. 
The aim of the present study was to investigate CFZ solubilization using the ABS approach. 
Eight small organic acids were tested for the ABS effect (glutaric, malic, tartaric, citric, 
malonic, maleic, succinic, adipic) but only glutaric (GA), malic (MA), and tartaric (TA) acids 
showed some solubilization effect. The effect of their concentration (and the solution pH 
value) was further tested. The solubility of CFZ was determined in GA, MA, and TA solutions 
in wide concentration (1.0×10-2 – 5.0 M) and pH range (~0.2 – 4.8). Equilibration time was 
24 hours (6 h of stirring + 18 h of sedimentation). Phases were separated by filtration. The 
CFZ concentration in supernatant was determined by HPLC-UV/VIS. Results show that CFZ 
solubility increases as acid concentration increases: from 3.04×10-3 to 10.68 mg/mL (in GA), 
from 9.06×10-3 to 1.23 mg/mL (in MA) and from 4.76×10-3 to 0.32 mg/mL (in TA). The effect 
of CFZ solubilization is much more pronounced when the acid concentration is raised above 
2 M. These results can be used as the basis for further CFZ formulation optimization.
Furthermore, our ongoing research is focused on the type of interactions and other possible 
factors that can influence CFZ and other prectically insoluble drugs, embracing (super)solu bilization as a general methodology in drug design and development.
PB  - International Association of Physical Chemists
C3  - 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023
T1  - Clofazimine acid-base solubilization: influence  of small organic acids’ concentration
SP  - 66
EP  - 66
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5994
ER  - 
@conference{
author = "Topalović, Igor A. and Marković, Olivera S. and Pešić, Miloš P. and Kathawala, Mufaddal and Serajuddin, Abu T. M. and Avdeef, Alex and Verbić, Tatjana Ž.",
year = "2023",
abstract = "Methods for drug solubilization have become important part of modern drug discovery and 
development due to increasing number of extremely insoluble drugs and drug candidates. 
One of such methods is acid-base supersolubilization (ABS) [1]. Clofazimine (CFZ) is weakly 
basic antibiotic and anti-inflammatory drug, most notably used in the treatment of leprosy
and tuberculosis, with recently proven inhibitory activity against several coronaviruses [2].
We have recently unraveled its aqueous pKa value and its unique cosolvent dependence [3]. 
The aim of the present study was to investigate CFZ solubilization using the ABS approach. 
Eight small organic acids were tested for the ABS effect (glutaric, malic, tartaric, citric, 
malonic, maleic, succinic, adipic) but only glutaric (GA), malic (MA), and tartaric (TA) acids 
showed some solubilization effect. The effect of their concentration (and the solution pH 
value) was further tested. The solubility of CFZ was determined in GA, MA, and TA solutions 
in wide concentration (1.0×10-2 – 5.0 M) and pH range (~0.2 – 4.8). Equilibration time was 
24 hours (6 h of stirring + 18 h of sedimentation). Phases were separated by filtration. The 
CFZ concentration in supernatant was determined by HPLC-UV/VIS. Results show that CFZ 
solubility increases as acid concentration increases: from 3.04×10-3 to 10.68 mg/mL (in GA), 
from 9.06×10-3 to 1.23 mg/mL (in MA) and from 4.76×10-3 to 0.32 mg/mL (in TA). The effect 
of CFZ solubilization is much more pronounced when the acid concentration is raised above 
2 M. These results can be used as the basis for further CFZ formulation optimization.
Furthermore, our ongoing research is focused on the type of interactions and other possible 
factors that can influence CFZ and other prectically insoluble drugs, embracing (super)solu bilization as a general methodology in drug design and development.",
publisher = "International Association of Physical Chemists",
journal = "10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023",
title = "Clofazimine acid-base solubilization: influence  of small organic acids’ concentration",
pages = "66-66",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5994"
}
Topalović, I. A., Marković, O. S., Pešić, M. P., Kathawala, M., Serajuddin, A. T. M., Avdeef, A.,& Verbić, T. Ž.. (2023). Clofazimine acid-base solubilization: influence  of small organic acids’ concentration. in 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023
International Association of Physical Chemists., 66-66.
https://hdl.handle.net/21.15107/rcub_cherry_5994
Topalović IA, Marković OS, Pešić MP, Kathawala M, Serajuddin ATM, Avdeef A, Verbić TŽ. Clofazimine acid-base solubilization: influence  of small organic acids’ concentration. in 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023. 2023;:66-66.
https://hdl.handle.net/21.15107/rcub_cherry_5994 .
Topalović, Igor A., Marković, Olivera S., Pešić, Miloš P., Kathawala, Mufaddal, Serajuddin, Abu T. M., Avdeef, Alex, Verbić, Tatjana Ž., "Clofazimine acid-base solubilization: influence  of small organic acids’ concentration" in 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023 (2023):66-66,
https://hdl.handle.net/21.15107/rcub_cherry_5994 .

Improvement of nutritional and bioactive properties of barleyb-glucan-based food products usingBacillus subtilis168endo-b-1,3-1,4-glucanase

Šokarda Slavić, Marinela; Kojić, Milan; Margetić, Aleksandra; Ristović, Marina; Pavlović, Marija; Nikolić, Stefan; Vujčić, Zoran

(Wiley, 2023)

TY  - JOUR
AU  - Šokarda Slavić, Marinela
AU  - Kojić, Milan
AU  - Margetić, Aleksandra
AU  - Ristović, Marina
AU  - Pavlović, Marija
AU  - Nikolić, Stefan
AU  - Vujčić, Zoran
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5992
AB  - The combination ofb-oligosaccharides from enzymatically hydrolysed barleyb-glucan has attracted inter-est recently due to its positive effects on human health. This study aimed to assess the impact of theendo-b-1,3-1,4-glucanase enzyme fromBacillus  subtilis168 on improving the nutritional and bioactiveproperties of barleyb-glucan. A new procedure for the isolation ofb-glucan was developed, at a lowertemperature (45°C), enabling purity from starch contamination, without affecting the yield (6 gb-glucanfrom 100 g of barley flour). The endo-b-1,3-1,4-glucanase is cloned intoE. colipQE_Ek enables the highproduction and purification (82% yield, 1.8 mg mL 1and 440 U mg 1) of an enzyme identical to thenatural one (25.5 kDa). The enzymatic reaction showed high efficiency ofb-glucan degradation by recom-binant enzyme, giving a mixture of products (of which 3-O-b-cellobiosyl-D-glucose and 3-O-b-cellotriosyl-D-glucose are the most abundant), the reduction of viscosity (17%) and increase in antioxidant capacitiesby 15.2%, 30.9% and 44.0% assessed by ABTS, DPPH and ORAC, respectively. These results indicatethe possible application of endo-b-1,3-1,4-glucanase enzyme in improving the properties of barleyb-glucan used as functional foods.
PB  - Wiley
T2  - International Journal of Food Science and Technology
T1  - Improvement of nutritional and bioactive properties of barleyb-glucan-based food products usingBacillus subtilis168endo-b-1,3-1,4-glucanase
VL  - n/a
DO  - 10.1111/ijfs.16647
ER  - 
@article{
author = "Šokarda Slavić, Marinela and Kojić, Milan and Margetić, Aleksandra and Ristović, Marina and Pavlović, Marija and Nikolić, Stefan and Vujčić, Zoran",
year = "2023",
abstract = "The combination ofb-oligosaccharides from enzymatically hydrolysed barleyb-glucan has attracted inter-est recently due to its positive effects on human health. This study aimed to assess the impact of theendo-b-1,3-1,4-glucanase enzyme fromBacillus  subtilis168 on improving the nutritional and bioactiveproperties of barleyb-glucan. A new procedure for the isolation ofb-glucan was developed, at a lowertemperature (45°C), enabling purity from starch contamination, without affecting the yield (6 gb-glucanfrom 100 g of barley flour). The endo-b-1,3-1,4-glucanase is cloned intoE. colipQE_Ek enables the highproduction and purification (82% yield, 1.8 mg mL 1and 440 U mg 1) of an enzyme identical to thenatural one (25.5 kDa). The enzymatic reaction showed high efficiency ofb-glucan degradation by recom-binant enzyme, giving a mixture of products (of which 3-O-b-cellobiosyl-D-glucose and 3-O-b-cellotriosyl-D-glucose are the most abundant), the reduction of viscosity (17%) and increase in antioxidant capacitiesby 15.2%, 30.9% and 44.0% assessed by ABTS, DPPH and ORAC, respectively. These results indicatethe possible application of endo-b-1,3-1,4-glucanase enzyme in improving the properties of barleyb-glucan used as functional foods.",
publisher = "Wiley",
journal = "International Journal of Food Science and Technology",
title = "Improvement of nutritional and bioactive properties of barleyb-glucan-based food products usingBacillus subtilis168endo-b-1,3-1,4-glucanase",
volume = "n/a",
doi = "10.1111/ijfs.16647"
}
Šokarda Slavić, M., Kojić, M., Margetić, A., Ristović, M., Pavlović, M., Nikolić, S.,& Vujčić, Z.. (2023). Improvement of nutritional and bioactive properties of barleyb-glucan-based food products usingBacillus subtilis168endo-b-1,3-1,4-glucanase. in International Journal of Food Science and Technology
Wiley., n/a.
https://doi.org/10.1111/ijfs.16647
Šokarda Slavić M, Kojić M, Margetić A, Ristović M, Pavlović M, Nikolić S, Vujčić Z. Improvement of nutritional and bioactive properties of barleyb-glucan-based food products usingBacillus subtilis168endo-b-1,3-1,4-glucanase. in International Journal of Food Science and Technology. 2023;n/a.
doi:10.1111/ijfs.16647 .
Šokarda Slavić, Marinela, Kojić, Milan, Margetić, Aleksandra, Ristović, Marina, Pavlović, Marija, Nikolić, Stefan, Vujčić, Zoran, "Improvement of nutritional and bioactive properties of barleyb-glucan-based food products usingBacillus subtilis168endo-b-1,3-1,4-glucanase" in International Journal of Food Science and Technology, n/a (2023),
https://doi.org/10.1111/ijfs.16647 . .

Revealing the story of an orphan drug: clofazimine speciation and solubilization as a function of pH

Verbić, Tatjana Ž.; Avdeef, Alex; Tam, Kin Y.; Marković, Olivera S.; Pešić, Miloš P.; Topalović, Igor A.; Veljković, Dušan Ž.; Kathawala, Mufaddal; Serajuddin, Abu T. M.

(International Association of Physical Chemists, 2023)

TY  - CONF
AU  - Verbić, Tatjana Ž.
AU  - Avdeef, Alex
AU  - Tam, Kin Y.
AU  - Marković, Olivera S.
AU  - Pešić, Miloš P.
AU  - Topalović, Igor A.
AU  - Veljković, Dušan Ž.
AU  - Kathawala, Mufaddal
AU  - Serajuddin, Abu T. M.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5993
AB  - Since the introduction of combinatorial chemistry and high-throughput screening in drug 
discovery in the early 1990s, the solubility of new chemical entities (NCE) decreased drastically 
while their lipophilicities increased greatly. Characterizing physicochemical properties of low soluble molecules can be especially challenging, since such molecules can undergo 
complicated reactions in aqueous solution, such as forming precipitates or complexes with 
buffer species or undergoing self-aggregation (dimer, trimer, etc.)1,2 or micelle formations. 
Most drugs are ionizable. Foremost to the rational interpretation of solution behavior of 
ionizable drugs in a physiologically-relevant pH domain requires an accurate aqueous pKa, 
determined by a suitable method. In a pH-dependent measurement of a property (e.g. 
solubility-, lipophilicity-, permeability-pH), when the apparent pKa value is different from the 
true aqueous pKa value, it may be an early clue that nonideal solution behavior may be taking 
place. In pharmaceutical research, it may seem cost-effective to use calculated pKa instead of 
measured values, but paradoxically, such preference can lead to inaccurate rationalization of 
the pH-dependent behavior of the drug molecule. For simple molecules, calculated values can 
be useful, but for today’s new drugs or for molecules prone to complicated solution behavior, 
the use of calculated pKas can substantially wrench the interpretation of solution properties. 
Clofazimine (CFZ), although discovered about 66 years ago, and used therapeutically for nearly 
40 years, exhibits some of the properties of relatively recent drug molecules by being 
extremely water insoluble and having variable pKa values reported. We have recently 
combined potentiometric titrations and UV/Vis spectrophotometry in methanol-water 
cosolvent media, accompanied by DFT calculations, to assess the hypothesis of CFZ free base 
dimerization. We reasoned that a soluble dimer might form from drug-drug adhesion along 
the hydrophobic molecular surface. With lessened exposure of the hydrophobic surface to 
water, the dimer would be more water soluble than the monomeric free base. In saturated 
solutions, the apparent solubility in alkaline pH would be elevated due to the presence of the 
dimer. The effect of that would be a lower pKa and reverse pKa cosolvent dependence – the 
behaviour we have noticed in CFZ aqueous solutions. These findings are of paramount 
importance for understanding of CFZ speciation and the future progress in developing its 
improved formulations which is the subject of our ongoing studies.
PB  - International Association of Physical Chemists
C3  - 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023
T1  - Revealing the story of an orphan drug: clofazimine speciation  and solubilization as a function of pH
SP  - 15
EP  - 15
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5993
ER  - 
@conference{
author = "Verbić, Tatjana Ž. and Avdeef, Alex and Tam, Kin Y. and Marković, Olivera S. and Pešić, Miloš P. and Topalović, Igor A. and Veljković, Dušan Ž. and Kathawala, Mufaddal and Serajuddin, Abu T. M.",
year = "2023",
abstract = "Since the introduction of combinatorial chemistry and high-throughput screening in drug 
discovery in the early 1990s, the solubility of new chemical entities (NCE) decreased drastically 
while their lipophilicities increased greatly. Characterizing physicochemical properties of low soluble molecules can be especially challenging, since such molecules can undergo 
complicated reactions in aqueous solution, such as forming precipitates or complexes with 
buffer species or undergoing self-aggregation (dimer, trimer, etc.)1,2 or micelle formations. 
Most drugs are ionizable. Foremost to the rational interpretation of solution behavior of 
ionizable drugs in a physiologically-relevant pH domain requires an accurate aqueous pKa, 
determined by a suitable method. In a pH-dependent measurement of a property (e.g. 
solubility-, lipophilicity-, permeability-pH), when the apparent pKa value is different from the 
true aqueous pKa value, it may be an early clue that nonideal solution behavior may be taking 
place. In pharmaceutical research, it may seem cost-effective to use calculated pKa instead of 
measured values, but paradoxically, such preference can lead to inaccurate rationalization of 
the pH-dependent behavior of the drug molecule. For simple molecules, calculated values can 
be useful, but for today’s new drugs or for molecules prone to complicated solution behavior, 
the use of calculated pKas can substantially wrench the interpretation of solution properties. 
Clofazimine (CFZ), although discovered about 66 years ago, and used therapeutically for nearly 
40 years, exhibits some of the properties of relatively recent drug molecules by being 
extremely water insoluble and having variable pKa values reported. We have recently 
combined potentiometric titrations and UV/Vis spectrophotometry in methanol-water 
cosolvent media, accompanied by DFT calculations, to assess the hypothesis of CFZ free base 
dimerization. We reasoned that a soluble dimer might form from drug-drug adhesion along 
the hydrophobic molecular surface. With lessened exposure of the hydrophobic surface to 
water, the dimer would be more water soluble than the monomeric free base. In saturated 
solutions, the apparent solubility in alkaline pH would be elevated due to the presence of the 
dimer. The effect of that would be a lower pKa and reverse pKa cosolvent dependence – the 
behaviour we have noticed in CFZ aqueous solutions. These findings are of paramount 
importance for understanding of CFZ speciation and the future progress in developing its 
improved formulations which is the subject of our ongoing studies.",
publisher = "International Association of Physical Chemists",
journal = "10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023",
title = "Revealing the story of an orphan drug: clofazimine speciation  and solubilization as a function of pH",
pages = "15-15",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5993"
}
Verbić, T. Ž., Avdeef, A., Tam, K. Y., Marković, O. S., Pešić, M. P., Topalović, I. A., Veljković, D. Ž., Kathawala, M.,& Serajuddin, A. T. M.. (2023). Revealing the story of an orphan drug: clofazimine speciation  and solubilization as a function of pH. in 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023
International Association of Physical Chemists., 15-15.
https://hdl.handle.net/21.15107/rcub_cherry_5993
Verbić TŽ, Avdeef A, Tam KY, Marković OS, Pešić MP, Topalović IA, Veljković DŽ, Kathawala M, Serajuddin ATM. Revealing the story of an orphan drug: clofazimine speciation  and solubilization as a function of pH. in 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023. 2023;:15-15.
https://hdl.handle.net/21.15107/rcub_cherry_5993 .
Verbić, Tatjana Ž., Avdeef, Alex, Tam, Kin Y., Marković, Olivera S., Pešić, Miloš P., Topalović, Igor A., Veljković, Dušan Ž., Kathawala, Mufaddal, Serajuddin, Abu T. M., "Revealing the story of an orphan drug: clofazimine speciation  and solubilization as a function of pH" in 10th IAPC Meeting: Tenth World Conference on Physico-Chemical Methods in Drug Discovery & Sixth World Conference on ADMET and DMPK Belgrade, Serbia, September 4-6, 2023 (2023):15-15,
https://hdl.handle.net/21.15107/rcub_cherry_5993 .

Процена степена оптерећења површинских вода органским загађујућим супстанцама на подручју Ковина, Србија

Kojić, Ivan; Stojanović, Ksenija A.; Radović, Nebojša R.; Tosti, Tomislav; Đurović, Saša

(Belgrade : Serbian Chemical Society, 2023)

TY  - CONF
AU  - Kojić, Ivan
AU  - Stojanović, Ksenija A.
AU  - Radović, Nebojša R.
AU  - Tosti, Tomislav
AU  - Đurović, Saša
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5912
AB  - У индустријској зони града Ковина налазe се фабрике које се баве производњом алкохола и сточног квасца, хране за кућне љубимце, сечењем и завршном обрадом челика, производњом шприцева и амбалаже за вакцине и лекове, као и највећа на Балкану фарма печурака. Поред тога, на 11 km од Ковина је рудник који угаљ вади са дна језера које је повезано са Дунавом, и представља јединствену подводну експлоатацију угља на свету. Упркос наведеним бројним делатностима које могу имати утицаја на квалитет површинских вода, нема лабораторије која се бави њиховим мониторингом. Стога је циљ овог рада прелиминарна карактеризација степена оптерећења површинских вода укупно присутним и специфичним, најзаступљенијим угљоводоничним загађујућим супстанцама. Узорци коришћени у раду узети су током новембра 2022. године, са пет репрезентативних локација на подручју Ковина (слика 1). Након одређивања основних параметара (табела 1), воде су анализиране применом стандардне методе ASTM D1252-06 [1], како би се утврдиле вредности хемијске потрошње кисеоника (ХПК). У циљу специфицирања најзаступљенијих угљоводоничних загађујућих супстанци, примењена је екстракција узорака вода помоћу трихлорметана. Добијени екстракти су након сушења и концентровања хроматографски пречишћени и анализирани на гасном хроматографу Agilent 7890A GC куплованом са квадруполним масеним детектором Agilent 5975C. Четири од пет анализираних узорака показују вредности ХПК карактеристичне за класу III површинских вода (табела 1; [2]). Најзаступљeнија специфична угљоводонична једињења у свим узорцима су n-алкани (слика 1). Нижи n-алкани са мање од 20 угљеникових атома су присутни само у траговима, што указује да ове воде углавном нису изложене загађењу сировом нафтом, дизелом или керозином. У три узорка (Дунавац, Шљункара и Црна Бара), CPI вредности за цео опсег n-алкана (С16- С34), као и за и више (С25-С34) и ниже (С15-С20, са изузетком Шљункаре) n-алканске хомологе су ниже или блиске 1, што уз n-алканске максимуме у опсегу С24-С26 указује на допринос органске супстанце акватичних макрофита, бактерија, васкуларних биљака и маховина рода Sphagnum [3]. Присуство нижих n-алкана (С15-С20) карактерише алге и бактерије, док се доминација непарних нижих хомолога у узорку Шљункара може повезати за цијанобактеријама. У узорицима Канал и Поњавица CPI вредности за цео опсег n-алкана (С16-С34), као и за више хомологе (С25-С34) веће су од 1, што уз n-алкански максимум у узорку Канал на С27 указује на допринос виших сувоземних биљака. Међутим поред наведених природних извора идентификованих n-алкана, треба истаћи да веома сличне n-алканске расподеле имају моторна уља, теже фракције уља за ложење и течни производи пиролизе лигнита. Од посебног значаја је и резултат да је у екстракту узорка воде са локације Поњавица доминантно једињење елементарни сумпор (слика 1), што се може повезати са великом количином муља у којем преовлађују аноксични услови, услед чега су фаворизовани редукциони хемијски/биохемијски процеси. Резултати прелиминарног истраживања показују да је неопходно наставити континуално и знатно детаљније истраживање предметних вода, како би се предупредило њихово даље загађење и негативан утицај на живи свет у њима, као и на подземне воде и земљиште у непосредној околини.
PB  - Belgrade : Serbian Chemical Society
C3  - 9th Symposium Chemistry and Environmental Protection, EnviroChem2023, Kladovo, 4-7th June 2023
T1  - Процена степена оптерећења површинских вода органским загађујућим супстанцама на подручју Ковина, Србија
T1  - Estimation of surface water contamination by organic pollutants in the Kovin area, Serbia
SP  - 91
EP  - 92
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5912
ER  - 
@conference{
author = "Kojić, Ivan and Stojanović, Ksenija A. and Radović, Nebojša R. and Tosti, Tomislav and Đurović, Saša",
year = "2023",
abstract = "У индустријској зони града Ковина налазe се фабрике које се баве производњом алкохола и сточног квасца, хране за кућне љубимце, сечењем и завршном обрадом челика, производњом шприцева и амбалаже за вакцине и лекове, као и највећа на Балкану фарма печурака. Поред тога, на 11 km од Ковина је рудник који угаљ вади са дна језера које је повезано са Дунавом, и представља јединствену подводну експлоатацију угља на свету. Упркос наведеним бројним делатностима које могу имати утицаја на квалитет површинских вода, нема лабораторије која се бави њиховим мониторингом. Стога је циљ овог рада прелиминарна карактеризација степена оптерећења површинских вода укупно присутним и специфичним, најзаступљенијим угљоводоничним загађујућим супстанцама. Узорци коришћени у раду узети су током новембра 2022. године, са пет репрезентативних локација на подручју Ковина (слика 1). Након одређивања основних параметара (табела 1), воде су анализиране применом стандардне методе ASTM D1252-06 [1], како би се утврдиле вредности хемијске потрошње кисеоника (ХПК). У циљу специфицирања најзаступљенијих угљоводоничних загађујућих супстанци, примењена је екстракција узорака вода помоћу трихлорметана. Добијени екстракти су након сушења и концентровања хроматографски пречишћени и анализирани на гасном хроматографу Agilent 7890A GC куплованом са квадруполним масеним детектором Agilent 5975C. Четири од пет анализираних узорака показују вредности ХПК карактеристичне за класу III површинских вода (табела 1; [2]). Најзаступљeнија специфична угљоводонична једињења у свим узорцима су n-алкани (слика 1). Нижи n-алкани са мање од 20 угљеникових атома су присутни само у траговима, што указује да ове воде углавном нису изложене загађењу сировом нафтом, дизелом или керозином. У три узорка (Дунавац, Шљункара и Црна Бара), CPI вредности за цео опсег n-алкана (С16- С34), као и за и више (С25-С34) и ниже (С15-С20, са изузетком Шљункаре) n-алканске хомологе су ниже или блиске 1, што уз n-алканске максимуме у опсегу С24-С26 указује на допринос органске супстанце акватичних макрофита, бактерија, васкуларних биљака и маховина рода Sphagnum [3]. Присуство нижих n-алкана (С15-С20) карактерише алге и бактерије, док се доминација непарних нижих хомолога у узорку Шљункара може повезати за цијанобактеријама. У узорицима Канал и Поњавица CPI вредности за цео опсег n-алкана (С16-С34), као и за више хомологе (С25-С34) веће су од 1, што уз n-алкански максимум у узорку Канал на С27 указује на допринос виших сувоземних биљака. Међутим поред наведених природних извора идентификованих n-алкана, треба истаћи да веома сличне n-алканске расподеле имају моторна уља, теже фракције уља за ложење и течни производи пиролизе лигнита. Од посебног значаја је и резултат да је у екстракту узорка воде са локације Поњавица доминантно једињење елементарни сумпор (слика 1), што се може повезати са великом количином муља у којем преовлађују аноксични услови, услед чега су фаворизовани редукциони хемијски/биохемијски процеси. Резултати прелиминарног истраживања показују да је неопходно наставити континуално и знатно детаљније истраживање предметних вода, како би се предупредило њихово даље загађење и негативан утицај на живи свет у њима, као и на подземне воде и земљиште у непосредној околини.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "9th Symposium Chemistry and Environmental Protection, EnviroChem2023, Kladovo, 4-7th June 2023",
title = "Процена степена оптерећења површинских вода органским загађујућим супстанцама на подручју Ковина, Србија, Estimation of surface water contamination by organic pollutants in the Kovin area, Serbia",
pages = "91-92",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5912"
}
Kojić, I., Stojanović, K. A., Radović, N. R., Tosti, T.,& Đurović, S.. (2023). Процена степена оптерећења површинских вода органским загађујућим супстанцама на подручју Ковина, Србија. in 9th Symposium Chemistry and Environmental Protection, EnviroChem2023, Kladovo, 4-7th June 2023
Belgrade : Serbian Chemical Society., 91-92.
https://hdl.handle.net/21.15107/rcub_cherry_5912
Kojić I, Stojanović KA, Radović NR, Tosti T, Đurović S. Процена степена оптерећења површинских вода органским загађујућим супстанцама на подручју Ковина, Србија. in 9th Symposium Chemistry and Environmental Protection, EnviroChem2023, Kladovo, 4-7th June 2023. 2023;:91-92.
https://hdl.handle.net/21.15107/rcub_cherry_5912 .
Kojić, Ivan, Stojanović, Ksenija A., Radović, Nebojša R., Tosti, Tomislav, Đurović, Saša, "Процена степена оптерећења површинских вода органским загађујућим супстанцама на подручју Ковина, Србија" in 9th Symposium Chemistry and Environmental Protection, EnviroChem2023, Kladovo, 4-7th June 2023 (2023):91-92,
https://hdl.handle.net/21.15107/rcub_cherry_5912 .

Amyloid-like aggregation influenced by lead(II) and cadmium(II) ions in hen egg white ovalbumin

Mijin, Nemanja; Milošević, Jelica; Stevanović, Sanja; Petrović, Predrag; Lolić, Aleksandar; Urbic, Tomaz; Polović, Natalija

(Elsevier B.V., 2023)

TY  - JOUR
AU  - Mijin, Nemanja
AU  - Milošević, Jelica
AU  - Stevanović, Sanja
AU  - Petrović, Predrag
AU  - Lolić, Aleksandar
AU  - Urbic, Tomaz
AU  - Polović, Natalija
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5987
AB  - The aggregation of proteins into fibrillar, amyloid-like aggregates generally results in an improved, positive effect on various techno-functional properties within food products, such as gelation, emulsification, and foam stabilization. These highly stable structures, characterized by their repetitive, β-sheet rich motifs, may develop as the result of the thermal treatment of protein-rich food products. Heavy metal ions can influence amyloid-like aggregation of food proteins. Lead(II) and cadmium(II) represent some of the most abundant and common environmental water and food pollutants. In this work, the influence of heavy metal ions, lead and cadmium on amyloid-like aggregation of ovalbumin at high temperatures (90 °C) and under acidic conditions (pH 2.0) was investigated. Ovalbumin is used as a general model for how heavy metals can affect amyloid-like aggregation of a food protein. Structural changes were monitored via Thioflavin T and 8-Anilino-1-naphthalenesulfonic acid fluorescence, Fourier-Transform infrared spectroscopy, atomic force microscopy, dynamic light scattering, as well as computational analyses. The obtained results indicate that the added heavy metal ions bind to different sites within ovalbumin prior to thermal treatment. Lead binding sites are closer to the hydrophobic regions of an protein, while cadmium ion binding sites are more exposed. This specific binding of metal ions affects the morphologies of amyloid-like aggregates, resulting in lead-induced branching of amyloid-like fibrils, or cadmium-induced tangling of fibrils into dense amyloid clusters. This additive effect of heavy metal ions is most evident in ovalbumin samples which contain a mixture of both heavy metal ions.
PB  - Elsevier B.V.
T2  - Food Hydrocolloids
T1  - Amyloid-like aggregation influenced by lead(II) and cadmium(II) ions in hen egg white ovalbumin
VL  - 136
SP  - 108292
DO  - 10.1016/j.foodhyd.2022.108292
ER  - 
@article{
author = "Mijin, Nemanja and Milošević, Jelica and Stevanović, Sanja and Petrović, Predrag and Lolić, Aleksandar and Urbic, Tomaz and Polović, Natalija",
year = "2023",
abstract = "The aggregation of proteins into fibrillar, amyloid-like aggregates generally results in an improved, positive effect on various techno-functional properties within food products, such as gelation, emulsification, and foam stabilization. These highly stable structures, characterized by their repetitive, β-sheet rich motifs, may develop as the result of the thermal treatment of protein-rich food products. Heavy metal ions can influence amyloid-like aggregation of food proteins. Lead(II) and cadmium(II) represent some of the most abundant and common environmental water and food pollutants. In this work, the influence of heavy metal ions, lead and cadmium on amyloid-like aggregation of ovalbumin at high temperatures (90 °C) and under acidic conditions (pH 2.0) was investigated. Ovalbumin is used as a general model for how heavy metals can affect amyloid-like aggregation of a food protein. Structural changes were monitored via Thioflavin T and 8-Anilino-1-naphthalenesulfonic acid fluorescence, Fourier-Transform infrared spectroscopy, atomic force microscopy, dynamic light scattering, as well as computational analyses. The obtained results indicate that the added heavy metal ions bind to different sites within ovalbumin prior to thermal treatment. Lead binding sites are closer to the hydrophobic regions of an protein, while cadmium ion binding sites are more exposed. This specific binding of metal ions affects the morphologies of amyloid-like aggregates, resulting in lead-induced branching of amyloid-like fibrils, or cadmium-induced tangling of fibrils into dense amyloid clusters. This additive effect of heavy metal ions is most evident in ovalbumin samples which contain a mixture of both heavy metal ions.",
publisher = "Elsevier B.V.",
journal = "Food Hydrocolloids",
title = "Amyloid-like aggregation influenced by lead(II) and cadmium(II) ions in hen egg white ovalbumin",
volume = "136",
pages = "108292",
doi = "10.1016/j.foodhyd.2022.108292"
}
Mijin, N., Milošević, J., Stevanović, S., Petrović, P., Lolić, A., Urbic, T.,& Polović, N.. (2023). Amyloid-like aggregation influenced by lead(II) and cadmium(II) ions in hen egg white ovalbumin. in Food Hydrocolloids
Elsevier B.V.., 136, 108292.
https://doi.org/10.1016/j.foodhyd.2022.108292
Mijin N, Milošević J, Stevanović S, Petrović P, Lolić A, Urbic T, Polović N. Amyloid-like aggregation influenced by lead(II) and cadmium(II) ions in hen egg white ovalbumin. in Food Hydrocolloids. 2023;136:108292.
doi:10.1016/j.foodhyd.2022.108292 .
Mijin, Nemanja, Milošević, Jelica, Stevanović, Sanja, Petrović, Predrag, Lolić, Aleksandar, Urbic, Tomaz, Polović, Natalija, "Amyloid-like aggregation influenced by lead(II) and cadmium(II) ions in hen egg white ovalbumin" in Food Hydrocolloids, 136 (2023):108292,
https://doi.org/10.1016/j.foodhyd.2022.108292 . .
1
1

Позитрон - 29-30

Šišaković, Isidora; Mirković, Anja; Radovanović, Mina; Jakovljević, Danijel; Krmpota, Ivana; Savić, Slađana; Samac, Milena; Samardžić, Đorđe

(Универзитет у Београду – Хемијски факултет, 2023)

TY  - GEN
AU  - Šišaković, Isidora
AU  - Mirković, Anja
AU  - Radovanović, Mina
AU  - Jakovljević, Danijel
AU  - Krmpota, Ivana
AU  - Savić, Slađana
AU  - Samac, Milena
AU  - Samardžić, Đorđe
PY  - 2023
UR  - http://chem.bg.ac.rs/studorg/
UR  - https://www.facebook.com/pozitroncasopis/
UR  - https://www.instagram.com/pozitroncasopis/
UR  - pozitron@chem.bg.ac.rs
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5988
AB  - Наш први двоброј до сада представља посебно рођенданско издање. Како Позитрон ове године обележава десет година постојања, имаћете прилику да прочитате осврт чланова редакције на овај јубилеј. Пружамо увид у догађаје који су обележели претходни период. То укључује новогодишњу хуманитарну акцију одржану крајем 2022. године, Global Women's Breakfast на коме Позитрон сада већ традиционално учествује и Фестивал науке као највећи догађај у првој половини ове године на коме су учествовали студенти Хемијског факултета. Откривамо вам која се хемија крије иза филмског платна и шта све оне, добро нам познате, специјалне ефекте чини тако специјалним. Разматрамо у каквој су вези мода и загађење, те шта можемо да урадимо да то загађење смањимо. Бавимо се и раздвајањем елемената, како су настали и колико су заступљени. Ако сте икада размишљали да ли нуклеарна фузија може потенцијално бити будућност при добијању „чисте енергије“, као и зашто нам је талидомид значајан, наши дописници су вам припремили одговоре на та питања. Прелистајте нашу највећу Ретросинтезу до сада и присетите се шта се све дешавало у месецима за нама. Као и увек, спремили смо и забаван садржај у оквиру Позитиве.
PB  - Универзитет у Београду – Хемијски факултет
T1  - Позитрон - 29-30
VL  - 29-30
SP  - 1
EP  - 61
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5988
ER  - 
@misc{
author = "Šišaković, Isidora and Mirković, Anja and Radovanović, Mina and Jakovljević, Danijel and Krmpota, Ivana and Savić, Slađana and Samac, Milena and Samardžić, Đorđe",
year = "2023",
abstract = "Наш први двоброј до сада представља посебно рођенданско издање. Како Позитрон ове године обележава десет година постојања, имаћете прилику да прочитате осврт чланова редакције на овај јубилеј. Пружамо увид у догађаје који су обележели претходни период. То укључује новогодишњу хуманитарну акцију одржану крајем 2022. године, Global Women's Breakfast на коме Позитрон сада већ традиционално учествује и Фестивал науке као највећи догађај у првој половини ове године на коме су учествовали студенти Хемијског факултета. Откривамо вам која се хемија крије иза филмског платна и шта све оне, добро нам познате, специјалне ефекте чини тако специјалним. Разматрамо у каквој су вези мода и загађење, те шта можемо да урадимо да то загађење смањимо. Бавимо се и раздвајањем елемената, како су настали и колико су заступљени. Ако сте икада размишљали да ли нуклеарна фузија може потенцијално бити будућност при добијању „чисте енергије“, као и зашто нам је талидомид значајан, наши дописници су вам припремили одговоре на та питања. Прелистајте нашу највећу Ретросинтезу до сада и присетите се шта се све дешавало у месецима за нама. Као и увек, спремили смо и забаван садржај у оквиру Позитиве.",
publisher = "Универзитет у Београду – Хемијски факултет",
title = "Позитрон - 29-30",
volume = "29-30",
pages = "1-61",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5988"
}
Šišaković, I., Mirković, A., Radovanović, M., Jakovljević, D., Krmpota, I., Savić, S., Samac, M.,& Samardžić, Đ.. (2023). Позитрон - 29-30. 
Универзитет у Београду – Хемијски факултет., 29-30, 1-61.
https://hdl.handle.net/21.15107/rcub_cherry_5988
Šišaković I, Mirković A, Radovanović M, Jakovljević D, Krmpota I, Savić S, Samac M, Samardžić Đ. Позитрон - 29-30. 2023;29-30:1-61.
https://hdl.handle.net/21.15107/rcub_cherry_5988 .
Šišaković, Isidora, Mirković, Anja, Radovanović, Mina, Jakovljević, Danijel, Krmpota, Ivana, Savić, Slađana, Samac, Milena, Samardžić, Đorđe, "Позитрон - 29-30", 29-30 (2023):1-61,
https://hdl.handle.net/21.15107/rcub_cherry_5988 .

A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones

Kokanov, Sanja B.; Filipović, Nenad R.; Višnjevac, Aleksandar; Nikolić, Milan; Novaković, Irena; Janjić, Goran; Holló, Berta Barta; Ramotowska, Sandra; Nowicka, Paulina; Makowski, Mariusz; Uğuz, Özlem; Koca, Atıf; Todorović, Tamara

(Wiley, 2023)

TY  - JOUR
AU  - Kokanov, Sanja B.
AU  - Filipović, Nenad R.
AU  - Višnjevac, Aleksandar
AU  - Nikolić, Milan
AU  - Novaković, Irena
AU  - Janjić, Goran
AU  - Holló, Berta Barta
AU  - Ramotowska, Sandra
AU  - Nowicka, Paulina
AU  - Makowski, Mariusz
AU  - Uğuz, Özlem
AU  - Koca, Atıf
AU  - Todorović, Tamara
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5986
AB  - Interest in Cd complexes has been growing in recent years. Cd complexes are considered a potential solution in the search for novel antibiotics that can fight antimicrobial resistance. In addition, Cd complexes draw attention to material chemistry. The main objective of this work was to prepare the first Cd(II) complexes with anionic forms of pyridine-based thiazolyl hydrazone (THs) ligands HLS2 [(E)-4-(4-methoxyphenyl)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)thiazole] and HLS3 [(E)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)-4-(p-tolyl)thiazole] and perform their structural and spectroscopic characterization, as well as stability in solution and upon heating. Studies related to their biological activities and possible electrochromic applications are also being conducted. Complexes [Cd(HLS2)2] (1) and [Cd(HLS3)2] (2) have been characterized by a single-crystal X-ray diffraction and computational analysis of intermolecular interactions responsible for their solid-state structures was performed. Thermal stability of 1 and 2 in the solid-state was analyzed by TGA/MS, where as their solution stability was determined by the spectrophotometric titration method. Electrochemical and in situ UV–Vis spectroelectrochemical analyses of 1 and 2 were carried out to determine redox mechanisms and the influence of the substituents and electrolytes on their redox responses. The antioxidant capacity of both complexes was tested in antioxidant assays, while their antimicrobial activity was tested against five Gram-positive and four Gram-negative bacteria, as well as against three fungi. The obtained results indicate their potent antioxidant capacity. The antimicrobial activity of investigated compounds on almost all tested bacterial strains was stronger than that of the standard antibiotic erythromycin. The results of docking studies indicate that the minor groove DNA is the possible biological target of 1 and 2.
PB  - Wiley
T2  - Applied Organometallic Chemistry
T1  - A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones
VL  - 37
IS  - 1
DO  - 10.1002/aoc.6942
ER  - 
@article{
author = "Kokanov, Sanja B. and Filipović, Nenad R. and Višnjevac, Aleksandar and Nikolić, Milan and Novaković, Irena and Janjić, Goran and Holló, Berta Barta and Ramotowska, Sandra and Nowicka, Paulina and Makowski, Mariusz and Uğuz, Özlem and Koca, Atıf and Todorović, Tamara",
year = "2023",
abstract = "Interest in Cd complexes has been growing in recent years. Cd complexes are considered a potential solution in the search for novel antibiotics that can fight antimicrobial resistance. In addition, Cd complexes draw attention to material chemistry. The main objective of this work was to prepare the first Cd(II) complexes with anionic forms of pyridine-based thiazolyl hydrazone (THs) ligands HLS2 [(E)-4-(4-methoxyphenyl)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)thiazole] and HLS3 [(E)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)-4-(p-tolyl)thiazole] and perform their structural and spectroscopic characterization, as well as stability in solution and upon heating. Studies related to their biological activities and possible electrochromic applications are also being conducted. Complexes [Cd(HLS2)2] (1) and [Cd(HLS3)2] (2) have been characterized by a single-crystal X-ray diffraction and computational analysis of intermolecular interactions responsible for their solid-state structures was performed. Thermal stability of 1 and 2 in the solid-state was analyzed by TGA/MS, where as their solution stability was determined by the spectrophotometric titration method. Electrochemical and in situ UV–Vis spectroelectrochemical analyses of 1 and 2 were carried out to determine redox mechanisms and the influence of the substituents and electrolytes on their redox responses. The antioxidant capacity of both complexes was tested in antioxidant assays, while their antimicrobial activity was tested against five Gram-positive and four Gram-negative bacteria, as well as against three fungi. The obtained results indicate their potent antioxidant capacity. The antimicrobial activity of investigated compounds on almost all tested bacterial strains was stronger than that of the standard antibiotic erythromycin. The results of docking studies indicate that the minor groove DNA is the possible biological target of 1 and 2.",
publisher = "Wiley",
journal = "Applied Organometallic Chemistry",
title = "A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones",
volume = "37",
number = "1",
doi = "10.1002/aoc.6942"
}
Kokanov, S. B., Filipović, N. R., Višnjevac, A., Nikolić, M., Novaković, I., Janjić, G., Holló, B. B., Ramotowska, S., Nowicka, P., Makowski, M., Uğuz, Ö., Koca, A.,& Todorović, T.. (2023). A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones. in Applied Organometallic Chemistry
Wiley., 37(1).
https://doi.org/10.1002/aoc.6942
Kokanov SB, Filipović NR, Višnjevac A, Nikolić M, Novaković I, Janjić G, Holló BB, Ramotowska S, Nowicka P, Makowski M, Uğuz Ö, Koca A, Todorović T. A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones. in Applied Organometallic Chemistry. 2023;37(1).
doi:10.1002/aoc.6942 .
Kokanov, Sanja B., Filipović, Nenad R., Višnjevac, Aleksandar, Nikolić, Milan, Novaković, Irena, Janjić, Goran, Holló, Berta Barta, Ramotowska, Sandra, Nowicka, Paulina, Makowski, Mariusz, Uğuz, Özlem, Koca, Atıf, Todorović, Tamara, "A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones" in Applied Organometallic Chemistry, 37, no. 1 (2023),
https://doi.org/10.1002/aoc.6942 . .

Synthesis and biological evaluation of new quinoline-4-carboxylic acid-chalcone hybrids as dihydroorotate dehydrogenase inhibitors

Petrović, Milena M.; Roschger, Cornelia; Lang, Kevin; Zierer, Andreas; Mladenović, Milan; Trifunović, Snežana S.; Mandić, Boris; Joksović, Milan D.

(Wiley, 2023)

TY  - JOUR
AU  - Petrović, Milena M.
AU  - Roschger, Cornelia
AU  - Lang, Kevin
AU  - Zierer, Andreas
AU  - Mladenović, Milan
AU  - Trifunović, Snežana S.
AU  - Mandić, Boris
AU  - Joksović, Milan D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5696
AB  - Fourteen novel quinoline-4-carboxylic acid-chalcone hybrids were obtained via Claisen–Schmidt condensation and evaluated as potential human dihydroorotate dehydrogenase (hDHODH) inhibitors. The ketone precursor 2 was synthesized by the Pfitzinger reaction and used for further derivatization at position 3 of the quinoline ring for the first time. Six compounds showed better hDHODH inhibitory activity than the reference drug leflunomide, with IC50 values ranging from 0.12 to 0.58 μM. The bioactive conformations of the compounds within hDHODH were resolved by means of molecular docking, revealing their tendency to occupy the narrow tunnel of hDHODH within the N-terminus and to prevent ubiquinone as the second cofactor from easily approaching the flavin mononucleotide as a cofactor for the redox reaction within the redox site. The results of the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay revealed that 4d and 4h demonstrated the highest cytotoxic activity against the A375 cell line, with IC50 values of 5.0 and 6.8 µM, respectively. The lipophilicity of the synthesized hybrids was obtained experimentally and expressed as logD7.4 values at physiologicalpH while the solubility assay was conducted to define physicochemical characteristics influencing the ADMET properties.
PB  - Wiley
T2  - Archiv der Pharmazie
T1  - Synthesis and biological evaluation of new quinoline-4-carboxylic acid-chalcone hybrids as dihydroorotate dehydrogenase inhibitors
VL  - 356
IS  - 2
SP  - e2200374
DO  - 10.1002/ardp.202200374
ER  - 
@article{
author = "Petrović, Milena M. and Roschger, Cornelia and Lang, Kevin and Zierer, Andreas and Mladenović, Milan and Trifunović, Snežana S. and Mandić, Boris and Joksović, Milan D.",
year = "2023",
abstract = "Fourteen novel quinoline-4-carboxylic acid-chalcone hybrids were obtained via Claisen–Schmidt condensation and evaluated as potential human dihydroorotate dehydrogenase (hDHODH) inhibitors. The ketone precursor 2 was synthesized by the Pfitzinger reaction and used for further derivatization at position 3 of the quinoline ring for the first time. Six compounds showed better hDHODH inhibitory activity than the reference drug leflunomide, with IC50 values ranging from 0.12 to 0.58 μM. The bioactive conformations of the compounds within hDHODH were resolved by means of molecular docking, revealing their tendency to occupy the narrow tunnel of hDHODH within the N-terminus and to prevent ubiquinone as the second cofactor from easily approaching the flavin mononucleotide as a cofactor for the redox reaction within the redox site. The results of the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay revealed that 4d and 4h demonstrated the highest cytotoxic activity against the A375 cell line, with IC50 values of 5.0 and 6.8 µM, respectively. The lipophilicity of the synthesized hybrids was obtained experimentally and expressed as logD7.4 values at physiologicalpH while the solubility assay was conducted to define physicochemical characteristics influencing the ADMET properties.",
publisher = "Wiley",
journal = "Archiv der Pharmazie",
title = "Synthesis and biological evaluation of new quinoline-4-carboxylic acid-chalcone hybrids as dihydroorotate dehydrogenase inhibitors",
volume = "356",
number = "2",
pages = "e2200374",
doi = "10.1002/ardp.202200374"
}
Petrović, M. M., Roschger, C., Lang, K., Zierer, A., Mladenović, M., Trifunović, S. S., Mandić, B.,& Joksović, M. D.. (2023). Synthesis and biological evaluation of new quinoline-4-carboxylic acid-chalcone hybrids as dihydroorotate dehydrogenase inhibitors. in Archiv der Pharmazie
Wiley., 356(2), e2200374.
https://doi.org/10.1002/ardp.202200374
Petrović MM, Roschger C, Lang K, Zierer A, Mladenović M, Trifunović SS, Mandić B, Joksović MD. Synthesis and biological evaluation of new quinoline-4-carboxylic acid-chalcone hybrids as dihydroorotate dehydrogenase inhibitors. in Archiv der Pharmazie. 2023;356(2):e2200374.
doi:10.1002/ardp.202200374 .
Petrović, Milena M., Roschger, Cornelia, Lang, Kevin, Zierer, Andreas, Mladenović, Milan, Trifunović, Snežana S., Mandić, Boris, Joksović, Milan D., "Synthesis and biological evaluation of new quinoline-4-carboxylic acid-chalcone hybrids as dihydroorotate dehydrogenase inhibitors" in Archiv der Pharmazie, 356, no. 2 (2023):e2200374,
https://doi.org/10.1002/ardp.202200374 . .

Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study

Višnjevac, Aleksandar; Araškov, Jovana; Nikolić, Milan; Bojić-Trbojević, Žanka; Pirković, Andrea; Dekanski, Dragana; Mitić, Dragana; Blagojević, Vladimir A.; Filipović, Nenad R.; Todorović, Tamara

(Elsevier, 2023)

TY  - JOUR
AU  - Višnjevac, Aleksandar
AU  - Araškov, Jovana
AU  - Nikolić, Milan
AU  - Bojić-Trbojević, Žanka
AU  - Pirković, Andrea
AU  - Dekanski, Dragana
AU  - Mitić, Dragana
AU  - Blagojević, Vladimir A.
AU  - Filipović, Nenad R.
AU  - Todorović, Tamara
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5877
AB  - The Zn(II) complexes [Zn(HLSe2)2](NO3)2∙CH3OH (2-NO3-Se) and [Zn(HLSe3)2](NO3)2·DMF (3-NO3-Se) with selenazolyl-hydrazone ligands 4-(4-methoxyphenyl)-2-(2-(pyridin-2-ylmethylene)hydrazinyl)-1,3-selenazole (HLSe2) and 4-(4-methylphenyl)-2-(2-(pyridin-2-ylmethylene)hydrazinyl)-1,3-selenazole (HLSe3) have been synthesized and characterized using singe crystal X-ray diffraction analysis. Antiproliferative activities of 2-NO3-Se and 3-NO3-Se, the corresponding ligands and sulphur isosteres of the complexes and the ligands were determined on non-malignant HTR-8/SVneo extravillous trophoblast cell line and malignant JEG-3 and JAr choriocarcinoma cell lines. All Zn complexes exhibited cytotoxic effect, comparable to that of a reference metal-based drug, cisplatin. The antioxidant activity of all compounds was determined in three antioxidant assays: ORAC (Oxygen Radical Absorbance Capacity), ABTS [(2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt] and CERAC [Ce(IV)-based reducing capacity]. As a result of synergy between Zn(II) and selenazolyl-hydrazone ligands, the complexes 2-NO3-Se and 3-NO3-Se appeared to be more active than Trolox, which is not the case for their sulfur counterparts. In-silico calculations of ADME properties pointed that the compounds possess some of desirable Lipinski rule principles. Applied algorithms did not report the compounds as potential PAINS or covalent inhibitors, although due to high molecular weight none of the compounds represent a potential lead compound. Toxicity prediction of the compounds is performed using machine learning models. The complexation of the ligands most likely reduces their toxicity or reduces their negative metabolic effects.
PB  - Elsevier
T2  - Journal of Molecular Structure
T2  - Journal of Molecular StructureJournal of Molecular Structure
T1  - Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study
VL  - 1281
SP  - 135193
DO  - 10.1016/j.molstruc.2023.135193
ER  - 
@article{
author = "Višnjevac, Aleksandar and Araškov, Jovana and Nikolić, Milan and Bojić-Trbojević, Žanka and Pirković, Andrea and Dekanski, Dragana and Mitić, Dragana and Blagojević, Vladimir A. and Filipović, Nenad R. and Todorović, Tamara",
year = "2023",
abstract = "The Zn(II) complexes [Zn(HLSe2)2](NO3)2∙CH3OH (2-NO3-Se) and [Zn(HLSe3)2](NO3)2·DMF (3-NO3-Se) with selenazolyl-hydrazone ligands 4-(4-methoxyphenyl)-2-(2-(pyridin-2-ylmethylene)hydrazinyl)-1,3-selenazole (HLSe2) and 4-(4-methylphenyl)-2-(2-(pyridin-2-ylmethylene)hydrazinyl)-1,3-selenazole (HLSe3) have been synthesized and characterized using singe crystal X-ray diffraction analysis. Antiproliferative activities of 2-NO3-Se and 3-NO3-Se, the corresponding ligands and sulphur isosteres of the complexes and the ligands were determined on non-malignant HTR-8/SVneo extravillous trophoblast cell line and malignant JEG-3 and JAr choriocarcinoma cell lines. All Zn complexes exhibited cytotoxic effect, comparable to that of a reference metal-based drug, cisplatin. The antioxidant activity of all compounds was determined in three antioxidant assays: ORAC (Oxygen Radical Absorbance Capacity), ABTS [(2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt] and CERAC [Ce(IV)-based reducing capacity]. As a result of synergy between Zn(II) and selenazolyl-hydrazone ligands, the complexes 2-NO3-Se and 3-NO3-Se appeared to be more active than Trolox, which is not the case for their sulfur counterparts. In-silico calculations of ADME properties pointed that the compounds possess some of desirable Lipinski rule principles. Applied algorithms did not report the compounds as potential PAINS or covalent inhibitors, although due to high molecular weight none of the compounds represent a potential lead compound. Toxicity prediction of the compounds is performed using machine learning models. The complexation of the ligands most likely reduces their toxicity or reduces their negative metabolic effects.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure, Journal of Molecular StructureJournal of Molecular Structure",
title = "Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study",
volume = "1281",
pages = "135193",
doi = "10.1016/j.molstruc.2023.135193"
}
Višnjevac, A., Araškov, J., Nikolić, M., Bojić-Trbojević, Ž., Pirković, A., Dekanski, D., Mitić, D., Blagojević, V. A., Filipović, N. R.,& Todorović, T.. (2023). Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study. in Journal of Molecular Structure
Elsevier., 1281, 135193.
https://doi.org/10.1016/j.molstruc.2023.135193
Višnjevac A, Araškov J, Nikolić M, Bojić-Trbojević Ž, Pirković A, Dekanski D, Mitić D, Blagojević VA, Filipović NR, Todorović T. Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study. in Journal of Molecular Structure. 2023;1281:135193.
doi:10.1016/j.molstruc.2023.135193 .
Višnjevac, Aleksandar, Araškov, Jovana, Nikolić, Milan, Bojić-Trbojević, Žanka, Pirković, Andrea, Dekanski, Dragana, Mitić, Dragana, Blagojević, Vladimir A., Filipović, Nenad R., Todorović, Tamara, "Zn(II) complexes with pyridyl-based 1,3-selen/thiazolyl-hydrazones: A comparative study" in Journal of Molecular Structure, 1281 (2023):135193,
https://doi.org/10.1016/j.molstruc.2023.135193 . .
1

The sugars content of parental and new perspective descendant strawberry genotypes potential approach for the future selection process

Momirović, Nevena; Nikolić, Dragan; Jakanovski, Mihajlo V.; Drami, Aleksandra; Mosić, Mirjana; Momirović, Nebojša; Milojković-Opsenica, Dušanka

(Beograd : Srpsko hemijsko društvo, 2023)

TY  - CONF
AU  - Momirović, Nevena
AU  - Nikolić, Dragan
AU  - Jakanovski, Mihajlo V.
AU  - Drami, Aleksandra
AU  - Mosić, Mirjana
AU  - Momirović, Nebojša
AU  - Milojković-Opsenica, Dušanka
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5975
AB  - Besides being one of the most commercially grown berry fruits, strawberries (Fragaria x annanassa Duch.) are known for their nutritional value, richness in polyphenols, and antioxidant capacity. New directions of strawberry breeding and selection are set towards premium fruit quality, high sugars content, and desirable sugars/total acids ratio (sweet index, SI), which represent some of the main prerequisites for selecting new breeding materials [1]. With this intention, a set of 24 strawberry genotypes was cultivated, including 12 parental varieties and 12 of their descendants - perspective candidates obtained by crossing the parental varieties mentioned above. A total of eleven sugars were quantified using High-Performance Anion-Exchange Chromatography with Pulsed Amperometric Detection (HPAEC-PAD). Results implied that glucose, sorbitol, sucrose, and melibiose content were the most important sugars in separating the fruits of parental varieties and their progeny [2]. Results showed that old, parental varieties had a significantly higher content of glucose and sucrose, while new perspective genotypes had higher sorbitol and melibiose content (Fig.2). PCA analysis confirmed that parental (samples 1-12) and descendant genotypes (samples 13-24), could be discriminated according to sugars profile i.e. that these four sugars have an effect on their differentiation (Fig.1). This was in accordance with Mann-Whitney U test results (Fig.2).Fig.1. Principal Component Analysis - The difference between parental and descendant genotypes; score plot (A) – parental samples (PS) 1-12, descendant (DS) samples 13-24, and loading plot (B) – sugar components.Acknowledgments: This work has been supported by the Ministry of Education, Science, Technological Development and Innovation of Republic of Serbia, Contract number: 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288., as well as company “Zeleni hit d.o.o.” from Belgrade, Serbia and “BerryLab” breeding consortium from Italy.References:[1]	L. Mazzoni, L. di Vittori, F. Balducci, T.Y. Forbes-Hernandez, F. Giamperi, M. Battino, B. Mezzeti, F. Capocasa, Scientia Horticulturae, 261: 108945 (2019).[2]	M. Fotirić Akšić, T. Tosti, M. Sredojević, J. Milivojević, M. Meland, M. Natić, Plants, 8: 205 (2019).
PB  - Beograd : Srpsko hemijsko društvo
C3  - XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia
T1  - The sugars content of parental and new perspective descendant strawberry genotypes potential approach for the future selection process
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5975
ER  - 
@conference{
author = "Momirović, Nevena and Nikolić, Dragan and Jakanovski, Mihajlo V. and Drami, Aleksandra and Mosić, Mirjana and Momirović, Nebojša and Milojković-Opsenica, Dušanka",
year = "2023",
abstract = "Besides being one of the most commercially grown berry fruits, strawberries (Fragaria x annanassa Duch.) are known for their nutritional value, richness in polyphenols, and antioxidant capacity. New directions of strawberry breeding and selection are set towards premium fruit quality, high sugars content, and desirable sugars/total acids ratio (sweet index, SI), which represent some of the main prerequisites for selecting new breeding materials [1]. With this intention, a set of 24 strawberry genotypes was cultivated, including 12 parental varieties and 12 of their descendants - perspective candidates obtained by crossing the parental varieties mentioned above. A total of eleven sugars were quantified using High-Performance Anion-Exchange Chromatography with Pulsed Amperometric Detection (HPAEC-PAD). Results implied that glucose, sorbitol, sucrose, and melibiose content were the most important sugars in separating the fruits of parental varieties and their progeny [2]. Results showed that old, parental varieties had a significantly higher content of glucose and sucrose, while new perspective genotypes had higher sorbitol and melibiose content (Fig.2). PCA analysis confirmed that parental (samples 1-12) and descendant genotypes (samples 13-24), could be discriminated according to sugars profile i.e. that these four sugars have an effect on their differentiation (Fig.1). This was in accordance with Mann-Whitney U test results (Fig.2).Fig.1. Principal Component Analysis - The difference between parental and descendant genotypes; score plot (A) – parental samples (PS) 1-12, descendant (DS) samples 13-24, and loading plot (B) – sugar components.Acknowledgments: This work has been supported by the Ministry of Education, Science, Technological Development and Innovation of Republic of Serbia, Contract number: 451-03-47/2023-01/200168 and 451-03-47/2023-01/200288., as well as company “Zeleni hit d.o.o.” from Belgrade, Serbia and “BerryLab” breeding consortium from Italy.References:[1]	L. Mazzoni, L. di Vittori, F. Balducci, T.Y. Forbes-Hernandez, F. Giamperi, M. Battino, B. Mezzeti, F. Capocasa, Scientia Horticulturae, 261: 108945 (2019).[2]	M. Fotirić Akšić, T. Tosti, M. Sredojević, J. Milivojević, M. Meland, M. Natić, Plants, 8: 205 (2019).",
publisher = "Beograd : Srpsko hemijsko društvo",
journal = "XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia",
title = "The sugars content of parental and new perspective descendant strawberry genotypes potential approach for the future selection process",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5975"
}
Momirović, N., Nikolić, D., Jakanovski, M. V., Drami, A., Mosić, M., Momirović, N.,& Milojković-Opsenica, D.. (2023). The sugars content of parental and new perspective descendant strawberry genotypes potential approach for the future selection process. in XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia
Beograd : Srpsko hemijsko društvo..
https://hdl.handle.net/21.15107/rcub_cherry_5975
Momirović N, Nikolić D, Jakanovski MV, Drami A, Mosić M, Momirović N, Milojković-Opsenica D. The sugars content of parental and new perspective descendant strawberry genotypes potential approach for the future selection process. in XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_5975 .
Momirović, Nevena, Nikolić, Dragan, Jakanovski, Mihajlo V., Drami, Aleksandra, Mosić, Mirjana, Momirović, Nebojša, Milojković-Opsenica, Dušanka, "The sugars content of parental and new perspective descendant strawberry genotypes potential approach for the future selection process" in XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia (2023),
https://hdl.handle.net/21.15107/rcub_cherry_5975 .

The influence of integral and organic growing systems on sugar content in selected tomato types and cultivars

Cvijanović, Vojin; Dramićanin, Aleksandra; Sarić, Beka; Jakanovski, Mihajlo V.; Momirović, Nebojša; Milojković-Opsenica, Dušanka M.

(Beograd : Srpsko hemijsko društvo, 2023)

TY  - CONF
AU  - Cvijanović, Vojin
AU  - Dramićanin, Aleksandra
AU  - Sarić, Beka
AU  - Jakanovski, Mihajlo V.
AU  - Momirović, Nebojša
AU  - Milojković-Opsenica, Dušanka M.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5976
AB  - Interest in production of protected crops has grown significantly over the past decade. Different cultivation systems (conventional, integral, and organic) affect the biological activity, which is ultimately reflected in the high quality of the fruits of different vegetable crops. In accordance with the requirements for health-safe products without residues of harmful substances in fruits, there is an increasing need for the production of tomatoes in integral and organic production systems. One of the most important features of these vegetables is their high quality and health safety, high nutritional and biological value. Agricultural production systems and growing practices are critical factors in determining the nutritional quality of tomato fruits [1]. In tomato, the sugar content is one of the important factors and one of the most significant parameters from the aspect of food quality [1]. Therefore, the aim of this work is to monitor fluctuations in sugars content, as parameters
that determine the nutritional value in tomato cultivars, induced by growing under integral and organic conditions. For this purpose, a set of sixteen samples of four types of tomatoes - beef, grapolo, mini and midi plum, and cherry - was analyzed. Each type of tomato included two varieties, grown in two agricultural systems - integral and organic. The sugars profile was obtained using High-Performance Anion Exchange Chromatography with Pulsed Amperometric Detection (HPAECPAD). The content of eleven sugar components was determined. Fructose and glucose were the major sugar compounds [2], while the sugar microcomponents were trehalose, arabinose, melibiose, sucrose, isomaltose, gentiobiose, raffinose, maltose, and panose. The results showed differences between samples produced in integral and organic growing systems, primarily in microsugar components. Higher content of trehalose and melibiose was found in samples obtained from organic production.

Fig.1. Principal Component Analysis (A)- The difference between integral (I) and organic (O) type of production; score plot (1a) – tomato samples: integral samples (I) 9-14, organic samples (O) 1-8, and loading plot (1b), and results of the Mann-Whitney U test (B) - sugar markers of type of production.

Acknowledgments: The authors would like to thank the Zeleni hit d.o.o. from Belgrade, Serbia, for field trials and support. This work has been supported by the Ministry of Science, Technological 
Development and Innovation of Republic of Serbia, Contract number: 451-03- 47/2023-01/200168, 451-03-47/2023-01/200288 and 451-03-47/2023-01/ 200045.

References:
[1] E. Rosa-Martínez, M. D. García-Martínez, A. M. Adalid-Martínez, L. Pereira-Dias, C. Casanova, E. Soler, M. Rosario Figas, M. Dolores
Raigon, M. Plazas, S. Soler, J. Prohens, Food Research International, 147 (2021) 110531.
[2] C. Agius, S. von Tucher, B. Poppenberger, W. Rozhon, MethodsX, 5 (2018). 537-550.
PB  - Beograd : Srpsko hemijsko društvo
C3  - XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia, 2023
T1  - The influence of integral and organic growing systems on sugar content in selected tomato types and cultivars
SP  - 87
EP  - 87
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5976
ER  - 
@conference{
author = "Cvijanović, Vojin and Dramićanin, Aleksandra and Sarić, Beka and Jakanovski, Mihajlo V. and Momirović, Nebojša and Milojković-Opsenica, Dušanka M.",
year = "2023",
abstract = "Interest in production of protected crops has grown significantly over the past decade. Different cultivation systems (conventional, integral, and organic) affect the biological activity, which is ultimately reflected in the high quality of the fruits of different vegetable crops. In accordance with the requirements for health-safe products without residues of harmful substances in fruits, there is an increasing need for the production of tomatoes in integral and organic production systems. One of the most important features of these vegetables is their high quality and health safety, high nutritional and biological value. Agricultural production systems and growing practices are critical factors in determining the nutritional quality of tomato fruits [1]. In tomato, the sugar content is one of the important factors and one of the most significant parameters from the aspect of food quality [1]. Therefore, the aim of this work is to monitor fluctuations in sugars content, as parameters
that determine the nutritional value in tomato cultivars, induced by growing under integral and organic conditions. For this purpose, a set of sixteen samples of four types of tomatoes - beef, grapolo, mini and midi plum, and cherry - was analyzed. Each type of tomato included two varieties, grown in two agricultural systems - integral and organic. The sugars profile was obtained using High-Performance Anion Exchange Chromatography with Pulsed Amperometric Detection (HPAECPAD). The content of eleven sugar components was determined. Fructose and glucose were the major sugar compounds [2], while the sugar microcomponents were trehalose, arabinose, melibiose, sucrose, isomaltose, gentiobiose, raffinose, maltose, and panose. The results showed differences between samples produced in integral and organic growing systems, primarily in microsugar components. Higher content of trehalose and melibiose was found in samples obtained from organic production.

Fig.1. Principal Component Analysis (A)- The difference between integral (I) and organic (O) type of production; score plot (1a) – tomato samples: integral samples (I) 9-14, organic samples (O) 1-8, and loading plot (1b), and results of the Mann-Whitney U test (B) - sugar markers of type of production.

Acknowledgments: The authors would like to thank the Zeleni hit d.o.o. from Belgrade, Serbia, for field trials and support. This work has been supported by the Ministry of Science, Technological 
Development and Innovation of Republic of Serbia, Contract number: 451-03- 47/2023-01/200168, 451-03-47/2023-01/200288 and 451-03-47/2023-01/ 200045.

References:
[1] E. Rosa-Martínez, M. D. García-Martínez, A. M. Adalid-Martínez, L. Pereira-Dias, C. Casanova, E. Soler, M. Rosario Figas, M. Dolores
Raigon, M. Plazas, S. Soler, J. Prohens, Food Research International, 147 (2021) 110531.
[2] C. Agius, S. von Tucher, B. Poppenberger, W. Rozhon, MethodsX, 5 (2018). 537-550.",
publisher = "Beograd : Srpsko hemijsko društvo",
journal = "XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia, 2023",
title = "The influence of integral and organic growing systems on sugar content in selected tomato types and cultivars",
pages = "87-87",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5976"
}
Cvijanović, V., Dramićanin, A., Sarić, B., Jakanovski, M. V., Momirović, N.,& Milojković-Opsenica, D. M.. (2023). The influence of integral and organic growing systems on sugar content in selected tomato types and cultivars. in XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia, 2023
Beograd : Srpsko hemijsko društvo., 87-87.
https://hdl.handle.net/21.15107/rcub_cherry_5976
Cvijanović V, Dramićanin A, Sarić B, Jakanovski MV, Momirović N, Milojković-Opsenica DM. The influence of integral and organic growing systems on sugar content in selected tomato types and cultivars. in XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia, 2023. 2023;:87-87.
https://hdl.handle.net/21.15107/rcub_cherry_5976 .
Cvijanović, Vojin, Dramićanin, Aleksandra, Sarić, Beka, Jakanovski, Mihajlo V., Momirović, Nebojša, Milojković-Opsenica, Dušanka M., "The influence of integral and organic growing systems on sugar content in selected tomato types and cultivars" in XXII Congress EuroFoodChem, June 14-16, 2023, Belgrade, Serbia, 2023 (2023):87-87,
https://hdl.handle.net/21.15107/rcub_cherry_5976 .