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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 .

2 in 1 versus 1 plus 1 – Outcomes of the transformation of adsorptive stripping method for the Ni2+ and Co2+ determination

Pastor, Ferenc T.; Dojčinović, Biljana P.; Kodranov, Igor D.; Gorjanović, Stanislava; Ivanović, Tijana; Popović, Daniela Ž.; Miladinović, Jelena

TY  - JOUR
AU  - Pastor, Ferenc T.
AU  - Dojčinović, Biljana P.
AU  - Kodranov, Igor D.
AU  - Gorjanović, Stanislava
AU  - Ivanović, Tijana
AU  - Popović, Daniela Ž.
AU  - Miladinović, Jelena
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6390
AB  - Due to the similar chemical properties of Ni2+ and Co2+, several dozens of adsorptive stripping voltammetric (AdSV) methods have been developed for their simultaneous determination. The question was would there be some benefits if a stripping method made for simultaneous determination of Ni2+ and Co2+ will be optimized for the determination of only one of them (Ni2+). It was found that the optimized method has for an order of magnitude lower LOQ (1.89×10−10 M), an order of magnitude lower influence of Co2+, and the applicability of one calibration line for four orders of magnitude of Ni2+ concentration. The influence of some common anions and cations has been examined. The developed method was successfully applied for nickel content determination in real samples. The suitability of the developed method for the determination of Co2+ from the same solution in the second run, upon optimizations of deposition potential and time, was also explored. The LOQ obtained for Co2+ (3.61×10−11 M) is almost two orders of magnitude lower than LOQ of the method for simultaneous determination of both cations and, its LOD and LOQ are among few lowest obtained by AdSV methods for Co2+ determination. The developed method for Ni2+ and Co2+ determination from the same solution in two successive runs has significantly better analytical performances than the starting method for their simultaneous determination in one run.
PB  - Wiley
T2  - Electroanalysis
T1  - 2 in 1 versus 1 plus 1 – Outcomes of the transformation of adsorptive stripping method for the Ni2+ and Co2+ determination
VL  - n/a
IS  - n/a
SP  - e202300259
DO  - 10.1002/elan.202300259
ER  - 
@article{
author = "Pastor, Ferenc T. and Dojčinović, Biljana P. and Kodranov, Igor D. and Gorjanović, Stanislava and Ivanović, Tijana and Popović, Daniela Ž. and Miladinović, Jelena",
abstract = "Due to the similar chemical properties of Ni2+ and Co2+, several dozens of adsorptive stripping voltammetric (AdSV) methods have been developed for their simultaneous determination. The question was would there be some benefits if a stripping method made for simultaneous determination of Ni2+ and Co2+ will be optimized for the determination of only one of them (Ni2+). It was found that the optimized method has for an order of magnitude lower LOQ (1.89×10−10 M), an order of magnitude lower influence of Co2+, and the applicability of one calibration line for four orders of magnitude of Ni2+ concentration. The influence of some common anions and cations has been examined. The developed method was successfully applied for nickel content determination in real samples. The suitability of the developed method for the determination of Co2+ from the same solution in the second run, upon optimizations of deposition potential and time, was also explored. The LOQ obtained for Co2+ (3.61×10−11 M) is almost two orders of magnitude lower than LOQ of the method for simultaneous determination of both cations and, its LOD and LOQ are among few lowest obtained by AdSV methods for Co2+ determination. The developed method for Ni2+ and Co2+ determination from the same solution in two successive runs has significantly better analytical performances than the starting method for their simultaneous determination in one run.",
publisher = "Wiley",
journal = "Electroanalysis",
title = "2 in 1 versus 1 plus 1 – Outcomes of the transformation of adsorptive stripping method for the Ni2+ and Co2+ determination",
volume = "n/a",
number = "n/a",
pages = "e202300259",
doi = "10.1002/elan.202300259"
}
Pastor, F. T., Dojčinović, B. P., Kodranov, I. D., Gorjanović, S., Ivanović, T., Popović, D. Ž.,& Miladinović, J..2 in 1 versus 1 plus 1 – Outcomes of the transformation of adsorptive stripping method for the Ni2+ and Co2+ determination. in Electroanalysis
Wiley., n/a(n/a), e202300259.
https://doi.org/10.1002/elan.202300259
Pastor FT, Dojčinović BP, Kodranov ID, Gorjanović S, Ivanović T, Popović DŽ, Miladinović J. 2 in 1 versus 1 plus 1 – Outcomes of the transformation of adsorptive stripping method for the Ni2+ and Co2+ determination. in Electroanalysis.n/a(n/a):e202300259.
doi:10.1002/elan.202300259 .
Pastor, Ferenc T., Dojčinović, Biljana P., Kodranov, Igor D., Gorjanović, Stanislava, Ivanović, Tijana, Popović, Daniela Ž., Miladinović, Jelena, "2 in 1 versus 1 plus 1 – Outcomes of the transformation of adsorptive stripping method for the Ni2+ and Co2+ determination" in Electroanalysis, n/a, no. n/a:e202300259,
https://doi.org/10.1002/elan.202300259 . .
1

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 .

Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition

Ćurčić, Vladimir; Olszewski, Mateusz; Maciejewska, Natalia; Višnjevac, Aleksandar; Srdić-Rajić, Tatjana; Dobričić, Vladimir; García-Sosa, Alfonso T.; Kokanov, Sanja B.; Araškov, Jovana; Silvestri, Romano; Schüle, Roland; Jung, Manfred; Nikolić, Milan; Filipović, Nenad R.

TY  - JOUR
AU  - Ćurčić, Vladimir
AU  - Olszewski, Mateusz
AU  - Maciejewska, Natalia
AU  - Višnjevac, Aleksandar
AU  - Srdić-Rajić, Tatjana
AU  - Dobričić, Vladimir
AU  - García-Sosa, Alfonso T.
AU  - Kokanov, Sanja B.
AU  - Araškov, Jovana
AU  - Silvestri, Romano
AU  - Schüle, Roland
AU  - Jung, Manfred
AU  - Nikolić, Milan
AU  - Filipović, Nenad R.
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6392
AB  - Heterocyclic pharmacophores such as thiazole and quinoline rings have a significant role in medicinal chemistry. They are considered privileged structures since they constitute several Food and Drug Administration (FDA)-approved drugs for cancer treatment. Herein, we report the synthesis, in silico evaluation of the ADMET profiles, and in vitro investigation of the anticancer activity of a series of novel thiazolyl-hydrazones based on the 8-quinoline (1a–c), 2-quinoline (2a–c), and 8-hydroxy-2-quinolyl moiety (3a–c). The panel of several human cancer cell lines and the nontumorigenic human embryonic kidney cell line HEK-293 were used to evaluate the compound-mediated in vitro anticancer activities, leading to [2-(2-(quinolyl-8-ol-2-ylmethylene)hydrazinyl)]-4-(4-methoxyphenyl)-1,3-thiazole (3c) as the most promising compound. The study revealed that 3c blocks the cell-cycle progression of a human colon cancer cell line (HCT-116) in the S phase and induces DNA double-strand breaks. Also, our findings demonstrate that 3c accumulates in lysosomes, ultimately leading to the cell death of the hepatocellular carcinoma cell line (Hep-G2) and HCT-116 cells, by the mechanism of autophagy inhibition.
PB  - John Wiley and Sons Inc
T2  - Archiv der Pharmazie
T2  - Archiv der Pharmazie
T1  - Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition
VL  - n/a
IS  - n/a
SP  - e2300426
DO  - 10.1002/ardp.202300426
ER  - 
@article{
author = "Ćurčić, Vladimir and Olszewski, Mateusz and Maciejewska, Natalia and Višnjevac, Aleksandar and Srdić-Rajić, Tatjana and Dobričić, Vladimir and García-Sosa, Alfonso T. and Kokanov, Sanja B. and Araškov, Jovana and Silvestri, Romano and Schüle, Roland and Jung, Manfred and Nikolić, Milan and Filipović, Nenad R.",
abstract = "Heterocyclic pharmacophores such as thiazole and quinoline rings have a significant role in medicinal chemistry. They are considered privileged structures since they constitute several Food and Drug Administration (FDA)-approved drugs for cancer treatment. Herein, we report the synthesis, in silico evaluation of the ADMET profiles, and in vitro investigation of the anticancer activity of a series of novel thiazolyl-hydrazones based on the 8-quinoline (1a–c), 2-quinoline (2a–c), and 8-hydroxy-2-quinolyl moiety (3a–c). The panel of several human cancer cell lines and the nontumorigenic human embryonic kidney cell line HEK-293 were used to evaluate the compound-mediated in vitro anticancer activities, leading to [2-(2-(quinolyl-8-ol-2-ylmethylene)hydrazinyl)]-4-(4-methoxyphenyl)-1,3-thiazole (3c) as the most promising compound. The study revealed that 3c blocks the cell-cycle progression of a human colon cancer cell line (HCT-116) in the S phase and induces DNA double-strand breaks. Also, our findings demonstrate that 3c accumulates in lysosomes, ultimately leading to the cell death of the hepatocellular carcinoma cell line (Hep-G2) and HCT-116 cells, by the mechanism of autophagy inhibition.",
publisher = "John Wiley and Sons Inc",
journal = "Archiv der Pharmazie, Archiv der Pharmazie",
title = "Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition",
volume = "n/a",
number = "n/a",
pages = "e2300426",
doi = "10.1002/ardp.202300426"
}
Ćurčić, V., Olszewski, M., Maciejewska, N., Višnjevac, A., Srdić-Rajić, T., Dobričić, V., García-Sosa, A. T., Kokanov, S. B., Araškov, J., Silvestri, R., Schüle, R., Jung, M., Nikolić, M.,& Filipović, N. R..Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition. in Archiv der Pharmazie
John Wiley and Sons Inc., n/a(n/a), e2300426.
https://doi.org/10.1002/ardp.202300426
Ćurčić V, Olszewski M, Maciejewska N, Višnjevac A, Srdić-Rajić T, Dobričić V, García-Sosa AT, Kokanov SB, Araškov J, Silvestri R, Schüle R, Jung M, Nikolić M, Filipović NR. Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition. in Archiv der Pharmazie.n/a(n/a):e2300426.
doi:10.1002/ardp.202300426 .
Ćurčić, Vladimir, Olszewski, Mateusz, Maciejewska, Natalia, Višnjevac, Aleksandar, Srdić-Rajić, Tatjana, Dobričić, Vladimir, García-Sosa, Alfonso T., Kokanov, Sanja B., Araškov, Jovana, Silvestri, Romano, Schüle, Roland, Jung, Manfred, Nikolić, Milan, Filipović, Nenad R., "Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition" in Archiv der Pharmazie, n/a, no. n/a:e2300426,
https://doi.org/10.1002/ardp.202300426 . .
1

Phenolic compounds evaluation in wines of Serbian autochthonous and local grapevine varieties

Rakonjac, Vera; Natić, Maja; Sredojević, Milica; Todić, Slavica

(Sveučilište u Zagrebu Agronomski fakultet, 2024)

TY  - CONF
AU  - Rakonjac, Vera
AU  - Natić, Maja
AU  - Sredojević, Milica
AU  - Todić, Slavica
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6482
AB  - Qualitative and quantitative content of phenolic compounds in monovarietal wines of seven Serbian and two international varieties was determined and compared. The results showed that the variety influences the composition and content for most phenolic components determined in wines. The largest number of phenolic compounds (15) was detected in ‘Prokupac’ wine, while the smallest number (10) was found in ‘Smederevka’ wine. Hidroxybenzoic and hidroxycinnamic acids had the strongest discriminating effect. PCA indicated that phenolic composition depends on both the variety and the vintage, while in some cases their interaction was also manifested. From Serbian variety ‘Prokupac’ wine had the most specific phenolic profile.
PB  - Sveučilište u Zagrebu Agronomski fakultet
C3  - 59th Croatian & 19th International Symposium on Agriculture, 11 − 16 February 2024, Dubrovnik, Croatiа
T1  - Phenolic compounds evaluation in wines of Serbian autochthonous and local grapevine varieties
SP  - 369
EP  - 375
ER  - 
@conference{
author = "Rakonjac, Vera and Natić, Maja and Sredojević, Milica and Todić, Slavica",
year = "2024",
abstract = "Qualitative and quantitative content of phenolic compounds in monovarietal wines of seven Serbian and two international varieties was determined and compared. The results showed that the variety influences the composition and content for most phenolic components determined in wines. The largest number of phenolic compounds (15) was detected in ‘Prokupac’ wine, while the smallest number (10) was found in ‘Smederevka’ wine. Hidroxybenzoic and hidroxycinnamic acids had the strongest discriminating effect. PCA indicated that phenolic composition depends on both the variety and the vintage, while in some cases their interaction was also manifested. From Serbian variety ‘Prokupac’ wine had the most specific phenolic profile.",
publisher = "Sveučilište u Zagrebu Agronomski fakultet",
journal = "59th Croatian & 19th International Symposium on Agriculture, 11 − 16 February 2024, Dubrovnik, Croatiа",
title = "Phenolic compounds evaluation in wines of Serbian autochthonous and local grapevine varieties",
pages = "369-375"
}
Rakonjac, V., Natić, M., Sredojević, M.,& Todić, S.. (2024). Phenolic compounds evaluation in wines of Serbian autochthonous and local grapevine varieties. in 59th Croatian & 19th International Symposium on Agriculture, 11 − 16 February 2024, Dubrovnik, Croatiа
Sveučilište u Zagrebu Agronomski fakultet., 369-375.
Rakonjac V, Natić M, Sredojević M, Todić S. Phenolic compounds evaluation in wines of Serbian autochthonous and local grapevine varieties. in 59th Croatian & 19th International Symposium on Agriculture, 11 − 16 February 2024, Dubrovnik, Croatiа. 2024;:369-375..
Rakonjac, Vera, Natić, Maja, Sredojević, Milica, Todić, Slavica, "Phenolic compounds evaluation in wines of Serbian autochthonous and local grapevine varieties" in 59th Croatian & 19th International Symposium on Agriculture, 11 − 16 February 2024, Dubrovnik, Croatiа (2024):369-375.

Imobilizacija ćelijskih zidova kvasca sa rekombinantnom lignin peroksidazom u L-DOPA-pektin-alginatnom hidrogelu za dekolorizaciju tekstilnih boja

Đorđević, Katarina

(2024)

TY  - THES
AU  - Đorđević, Katarina
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6479
AB  - Fokus ovog rada je na modifikacija pektina sa L-DOPA-om u reakcijama perjodatne oksidacije i
reduktivnog aminovanja u cilju dobijanja 5mol% L-DOPA-pektin i dalje imobilizaciji ćelijskih zidova
kvasca sa rekombinantnom lignin peroksidazom u hidrogelu koji se sastoji od 5 mol% L-DOPApektina
u kojem je dodat komercijalni alginat. Cilj je bio u dobijanju biokatalizatora koji bi se mogao
višekratno koristiti u dekolorizaciji boja iz otpadnih voda.
T1  - Imobilizacija ćelijskih zidova kvasca sa rekombinantnom lignin peroksidazom u L-DOPA-pektin-alginatnom hidrogelu za dekolorizaciju tekstilnih boja
SP  - 1
EP  - 62
ER  - 
@misc{
author = "Đorđević, Katarina",
year = "2024",
abstract = "Fokus ovog rada je na modifikacija pektina sa L-DOPA-om u reakcijama perjodatne oksidacije i
reduktivnog aminovanja u cilju dobijanja 5mol% L-DOPA-pektin i dalje imobilizaciji ćelijskih zidova
kvasca sa rekombinantnom lignin peroksidazom u hidrogelu koji se sastoji od 5 mol% L-DOPApektina
u kojem je dodat komercijalni alginat. Cilj je bio u dobijanju biokatalizatora koji bi se mogao
višekratno koristiti u dekolorizaciji boja iz otpadnih voda.",
title = "Imobilizacija ćelijskih zidova kvasca sa rekombinantnom lignin peroksidazom u L-DOPA-pektin-alginatnom hidrogelu za dekolorizaciju tekstilnih boja",
pages = "1-62"
}
Đorđević, K.. (2024). Imobilizacija ćelijskih zidova kvasca sa rekombinantnom lignin peroksidazom u L-DOPA-pektin-alginatnom hidrogelu za dekolorizaciju tekstilnih boja. , 1-62.
Đorđević K. Imobilizacija ćelijskih zidova kvasca sa rekombinantnom lignin peroksidazom u L-DOPA-pektin-alginatnom hidrogelu za dekolorizaciju tekstilnih boja. 2024;:1-62..
Đorđević, Katarina, "Imobilizacija ćelijskih zidova kvasca sa rekombinantnom lignin peroksidazom u L-DOPA-pektin-alginatnom hidrogelu za dekolorizaciju tekstilnih boja" (2024):1-62.

Uvid u kovalentne interakcije Spike proteina SARS – CoV – 2 i fikocijanobilina

Bićanin, Maša

(2024)

TY  - THES
AU  - Bićanin, Maša
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6478
AB  - SARS-Cov-2 virus (eng. Severe Acute Respiratory Syndrome Coronavirus 2) je u periodu od 4 godine uzrokovao smrt više od 6 miliona ljudi. Jedna od strategija za borbu protiv ovog virusa jeste upotreba i razvijanje malih molekula koji bi mogli da spreče njegovu fuziju sa i ulazak u ćeliju domaćina. Ključni protein u procesu infekcije je protein „šiljka“ (eng. Spike, S). Ovaj transmembranski protein virusa interaguje sa angiotenzin konvertujućim enzimom 2 (eng. Angiotensin converting enzyme, ACE2) na ćeliji domaćina i katalizuju ulazak virusne RNA u ćeliju domaćina. Fikocijanobilin (eng. Phycocyanobiline, PCB) je hromofora izolovana iz alge Spironella pacifica. PCB poseduje antioksidativnu i antiviralnu sposobnost. U ovom radu je elektroforetskim metodama, testovima vezivanja za ACE2 receptor i masenom spektrometrijom pružen uvid u interakcije PCBna sa komercijalno dostupnim receptor vezujućim domenom (eng. Receptor Binding Domain, RBD) S proteina.
T1  - Uvid u kovalentne interakcije Spike proteina SARS – CoV – 2 i fikocijanobilina
SP  - 2
EP  - 53
ER  - 
@mastersthesis{
author = "Bićanin, Maša",
year = "2024",
abstract = "SARS-Cov-2 virus (eng. Severe Acute Respiratory Syndrome Coronavirus 2) je u periodu od 4 godine uzrokovao smrt više od 6 miliona ljudi. Jedna od strategija za borbu protiv ovog virusa jeste upotreba i razvijanje malih molekula koji bi mogli da spreče njegovu fuziju sa i ulazak u ćeliju domaćina. Ključni protein u procesu infekcije je protein „šiljka“ (eng. Spike, S). Ovaj transmembranski protein virusa interaguje sa angiotenzin konvertujućim enzimom 2 (eng. Angiotensin converting enzyme, ACE2) na ćeliji domaćina i katalizuju ulazak virusne RNA u ćeliju domaćina. Fikocijanobilin (eng. Phycocyanobiline, PCB) je hromofora izolovana iz alge Spironella pacifica. PCB poseduje antioksidativnu i antiviralnu sposobnost. U ovom radu je elektroforetskim metodama, testovima vezivanja za ACE2 receptor i masenom spektrometrijom pružen uvid u interakcije PCBna sa komercijalno dostupnim receptor vezujućim domenom (eng. Receptor Binding Domain, RBD) S proteina.",
title = "Uvid u kovalentne interakcije Spike proteina SARS – CoV – 2 i fikocijanobilina",
pages = "2-53"
}
Bićanin, M.. (2024). Uvid u kovalentne interakcije Spike proteina SARS – CoV – 2 i fikocijanobilina. , 2-53.
Bićanin M. Uvid u kovalentne interakcije Spike proteina SARS – CoV – 2 i fikocijanobilina. 2024;:2-53..
Bićanin, Maša, "Uvid u kovalentne interakcije Spike proteina SARS – CoV – 2 i fikocijanobilina" (2024):2-53.

Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals

Dinić, Ivana; Vuković, Marina; Rabanal, Maria Eugenia; Milošević, Milica; Bukumira, Marta; Tomić, Nina; Tomić, Miloš; Mančić, Lidija; Ignjatović, Nenad

(MDPI, 2024)

TY  - JOUR
AU  - Dinić, Ivana
AU  - Vuković, Marina
AU  - Rabanal, Maria Eugenia
AU  - Milošević, Milica
AU  - Bukumira, Marta
AU  - Tomić, Nina
AU  - Tomić, Miloš
AU  - Mančić, Lidija
AU  - Ignjatović, Nenad
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6477
AB  - Y0.8−xGdxF3:Yb/Er mesocrystals with a biocompatible surface and diverse morphological characteristics were successfully synthesized using chitosan-assisted solvothermal processing. Their structural properties, studied using X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning and transmission electron microscopy and energy dispersive X-ray analysis, were further correlated with the up-conversion emission (λexc = 976 nm) recorded in function of temperature. Based on the change in the visible green emissions originating from the thermally coupled 2H11/2 and 4S3/2 levels of Er3+, the corresponding LIR was acquired in the physiologically relevant range of temperatures (25–50 °C). The detected absolute sensitivity of about 0.0042 °C−1, along with the low cytotoxicity toward both normal human lung fibroblasts (MRC-5) and cancerous lung epithelial (A549) cells, indicate a potential for use in temperature sensing in biomedicine. Additionally, their enhanced internalization in cells, without suppression of cell viability, enabled in vitro labeling of cancer and healthy cells upon 976 nm laser irradiation.
PB  - MDPI
T2  - Journal of Functional Biomaterials
T1  - Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals
VL  - 15
IS  - 1
SP  - 6
DO  - 10.3390/jfb15010006
ER  - 
@article{
author = "Dinić, Ivana and Vuković, Marina and Rabanal, Maria Eugenia and Milošević, Milica and Bukumira, Marta and Tomić, Nina and Tomić, Miloš and Mančić, Lidija and Ignjatović, Nenad",
year = "2024",
abstract = "Y0.8−xGdxF3:Yb/Er mesocrystals with a biocompatible surface and diverse morphological characteristics were successfully synthesized using chitosan-assisted solvothermal processing. Their structural properties, studied using X-ray powder diffraction, Fourier transform infrared spectroscopy, scanning and transmission electron microscopy and energy dispersive X-ray analysis, were further correlated with the up-conversion emission (λexc = 976 nm) recorded in function of temperature. Based on the change in the visible green emissions originating from the thermally coupled 2H11/2 and 4S3/2 levels of Er3+, the corresponding LIR was acquired in the physiologically relevant range of temperatures (25–50 °C). The detected absolute sensitivity of about 0.0042 °C−1, along with the low cytotoxicity toward both normal human lung fibroblasts (MRC-5) and cancerous lung epithelial (A549) cells, indicate a potential for use in temperature sensing in biomedicine. Additionally, their enhanced internalization in cells, without suppression of cell viability, enabled in vitro labeling of cancer and healthy cells upon 976 nm laser irradiation.",
publisher = "MDPI",
journal = "Journal of Functional Biomaterials",
title = "Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals",
volume = "15",
number = "1",
pages = "6",
doi = "10.3390/jfb15010006"
}
Dinić, I., Vuković, M., Rabanal, M. E., Milošević, M., Bukumira, M., Tomić, N., Tomić, M., Mančić, L.,& Ignjatović, N.. (2024). Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals. in Journal of Functional Biomaterials
MDPI., 15(1), 6.
https://doi.org/10.3390/jfb15010006
Dinić I, Vuković M, Rabanal ME, Milošević M, Bukumira M, Tomić N, Tomić M, Mančić L, Ignjatović N. Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals. in Journal of Functional Biomaterials. 2024;15(1):6.
doi:10.3390/jfb15010006 .
Dinić, Ivana, Vuković, Marina, Rabanal, Maria Eugenia, Milošević, Milica, Bukumira, Marta, Tomić, Nina, Tomić, Miloš, Mančić, Lidija, Ignjatović, Nenad, "Temperature Sensing Properties of Biocompatible Yb/Er-Doped GdF3 and YF3 Mesocrystals" in Journal of Functional Biomaterials, 15, no. 1 (2024):6,
https://doi.org/10.3390/jfb15010006 . .

Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion

Zrilić, Sonja S.; Živković, Jelena; Zarić, Snežana D.

(Elsevier, 2024)

TY  - JOUR
AU  - Zrilić, Sonja S.
AU  - Živković, Jelena
AU  - Zarić, Snežana D.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6377
AB  - Hydrogen bonds of glycine complexes were calculated using quantum chemistry calculations at M06L-GD3/def2-TZVPP level and by analyzing the crystal structures from the Cambridge Structural Database (CSD). One hydrogen bond where amino acid plays the role of the H-donor (NH/O), and two where it plays the role of the H-acceptor (O1/HO, O1 is a coordinated oxygen atom, and, O2/HO, O2 is a non-coordinated oxygen atom) were investigated. The calculations were done on octahedral nickel(II), square pyramidal copper(II), square planar copper(II), palladium(II), and platinum(II) glycine complexes with different charges adjusted using water(s) and/or chlorine ion(s) as the remaining ligands. For NH/O hydrogen bond, interaction energies of neutral complexes are the weakest, from -5.2 to -7.2 kcal/mol for neutral, stronger for singly positive, from -8.3 to -12.1 kcal/mol, and the strongest for doubly positive complex, -16.9 kcal/mol. For O1/HO and O2/HO interactions, neutral complexes have weaker interaction energies (from -2.2 to -5.1 kcal/mol for O1/HO, and from -3.7 to -5.0 kcal/mol for O2/HO), than for singly negative complexes (from -6.9 to -8.2 kcal/mol for O1/HO, and from -8.0 to -9.0 kcal/mol for O2/HO). Additionally to the complex charge, metal oxidation number, coordination number, and metal atomic number also influence the hydrogen bond strength, however, the influence is smaller.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion
VL  - 251
SP  - 112442
DO  - 10.1016/j.jinorgbio.2023.112442
ER  - 
@article{
author = "Zrilić, Sonja S. and Živković, Jelena and Zarić, Snežana D.",
year = "2024",
abstract = "Hydrogen bonds of glycine complexes were calculated using quantum chemistry calculations at M06L-GD3/def2-TZVPP level and by analyzing the crystal structures from the Cambridge Structural Database (CSD). One hydrogen bond where amino acid plays the role of the H-donor (NH/O), and two where it plays the role of the H-acceptor (O1/HO, O1 is a coordinated oxygen atom, and, O2/HO, O2 is a non-coordinated oxygen atom) were investigated. The calculations were done on octahedral nickel(II), square pyramidal copper(II), square planar copper(II), palladium(II), and platinum(II) glycine complexes with different charges adjusted using water(s) and/or chlorine ion(s) as the remaining ligands. For NH/O hydrogen bond, interaction energies of neutral complexes are the weakest, from -5.2 to -7.2 kcal/mol for neutral, stronger for singly positive, from -8.3 to -12.1 kcal/mol, and the strongest for doubly positive complex, -16.9 kcal/mol. For O1/HO and O2/HO interactions, neutral complexes have weaker interaction energies (from -2.2 to -5.1 kcal/mol for O1/HO, and from -3.7 to -5.0 kcal/mol for O2/HO), than for singly negative complexes (from -6.9 to -8.2 kcal/mol for O1/HO, and from -8.0 to -9.0 kcal/mol for O2/HO). Additionally to the complex charge, metal oxidation number, coordination number, and metal atomic number also influence the hydrogen bond strength, however, the influence is smaller.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion",
volume = "251",
pages = "112442",
doi = "10.1016/j.jinorgbio.2023.112442"
}
Zrilić, S. S., Živković, J.,& Zarić, S. D.. (2024). Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion. in Journal of Inorganic Biochemistry
Elsevier., 251, 112442.
https://doi.org/10.1016/j.jinorgbio.2023.112442
Zrilić SS, Živković J, Zarić SD. Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion. in Journal of Inorganic Biochemistry. 2024;251:112442.
doi:10.1016/j.jinorgbio.2023.112442 .
Zrilić, Sonja S., Živković, Jelena, Zarić, Snežana D., "Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion" in Journal of Inorganic Biochemistry, 251 (2024):112442,
https://doi.org/10.1016/j.jinorgbio.2023.112442 . .

New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions

Milovanović, Milan R.; Zarić, Snežana D.

(American Chemical Society, 2024)

TY  - JOUR
AU  - Milovanović, Milan R.
AU  - Zarić, Snežana D.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6445
AB  - New modes of interaction, antiparallel O–H/O–H interactions of alcohol–alcohol dimers and alcohol–water dimers, were studied by analyzing data in the Cambridge Structural Database (CSD) and by calculating potential energy surfaces at a very accurate quantum chemical CCSD(T)/CBS level. The data reveal the existence of antiparallel interactions in crystal structures and significant interaction energies. Data from the CSD for alcohol–alcohol dimers show 49.2% of contacts with classical hydrogen bonds and 10.1% of contacts with antiparallel interactions, while for alcohol–water dimers, 59.4% of contacts are classical hydrogen bonds and only 0.6% of contacts are antiparallel interactions. The calculations were performed on methanol, ethanol, and n-propanol dimers. Classical hydrogen-bonded alcohol–alcohol and alcohol–water dimers have interaction energies of up to −6.2 kcal/mol and up to −5.5 kcal/mol, respectively. Antiparallel interactions in alcohol–alcohol and alcohol–water dimers have interaction energies of up to −4.7 kcal/mol and up to −4.4 kcal/mol, respectively. Symmetry-adapted perturbation theory analysis for antiparallel interactions shows their electrostatic nature.
PB  - American Chemical Society
T2  - Journal of Physical Chemistry Letters
T1  - New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions
VL  - 15
SP  - 1294
EP  - 1304
DO  - 10.1021/acs.jpclett.3c03399
ER  - 
@article{
author = "Milovanović, Milan R. and Zarić, Snežana D.",
year = "2024",
abstract = "New modes of interaction, antiparallel O–H/O–H interactions of alcohol–alcohol dimers and alcohol–water dimers, were studied by analyzing data in the Cambridge Structural Database (CSD) and by calculating potential energy surfaces at a very accurate quantum chemical CCSD(T)/CBS level. The data reveal the existence of antiparallel interactions in crystal structures and significant interaction energies. Data from the CSD for alcohol–alcohol dimers show 49.2% of contacts with classical hydrogen bonds and 10.1% of contacts with antiparallel interactions, while for alcohol–water dimers, 59.4% of contacts are classical hydrogen bonds and only 0.6% of contacts are antiparallel interactions. The calculations were performed on methanol, ethanol, and n-propanol dimers. Classical hydrogen-bonded alcohol–alcohol and alcohol–water dimers have interaction energies of up to −6.2 kcal/mol and up to −5.5 kcal/mol, respectively. Antiparallel interactions in alcohol–alcohol and alcohol–water dimers have interaction energies of up to −4.7 kcal/mol and up to −4.4 kcal/mol, respectively. Symmetry-adapted perturbation theory analysis for antiparallel interactions shows their electrostatic nature.",
publisher = "American Chemical Society",
journal = "Journal of Physical Chemistry Letters",
title = "New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions",
volume = "15",
pages = "1294-1304",
doi = "10.1021/acs.jpclett.3c03399"
}
Milovanović, M. R.,& Zarić, S. D.. (2024). New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions. in Journal of Physical Chemistry Letters
American Chemical Society., 15, 1294-1304.
https://doi.org/10.1021/acs.jpclett.3c03399
Milovanović MR, Zarić SD. New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions. in Journal of Physical Chemistry Letters. 2024;15:1294-1304.
doi:10.1021/acs.jpclett.3c03399 .
Milovanović, Milan R., Zarić, Snežana D., "New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions" in Journal of Physical Chemistry Letters, 15 (2024):1294-1304,
https://doi.org/10.1021/acs.jpclett.3c03399 . .

Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion

Zrilić, Sonja S.; Živković, Jelena; Zarić, Snežana D.

(Elsevier, 2024)

TY  - JOUR
AU  - Zrilić, Sonja S.
AU  - Živković, Jelena
AU  - Zarić, Snežana D.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6377
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6447
AB  - Hydrogen bonds of glycine complexes were calculated using quantum chemistry calculations at M06L-GD3/def2-TZVPP level and by analyzing the crystal structures from the Cambridge Structural Database (CSD). One hydrogen bond where amino acid plays the role of the H-donor (NH/O), and two where it plays the role of the H-acceptor (O1/HO, O1 is a coordinated oxygen atom, and, O2/HO, O2 is a non-coordinated oxygen atom) were investigated. The calculations were done on octahedral nickel(II), square pyramidal copper(II), square planar copper(II), palladium(II), and platinum(II) glycine complexes with different charges adjusted using water(s) and/or chlorine ion(s) as the remaining ligands. For NH/O hydrogen bond, interaction energies of neutral complexes are the weakest, from -5.2 to -7.2 kcal/mol for neutral, stronger for singly positive, from -8.3 to -12.1 kcal/mol, and the strongest for doubly positive complex, -16.9 kcal/mol. For O1/HO and O2/HO interactions, neutral complexes have weaker interaction energies (from -2.2 to -5.1 kcal/mol for O1/HO, and from -3.7 to -5.0 kcal/mol for O2/HO), than for singly negative complexes (from -6.9 to -8.2 kcal/mol for O1/HO, and from -8.0 to -9.0 kcal/mol for O2/HO). Additionally to the complex charge, metal oxidation number, coordination number, and metal atomic number also influence the hydrogen bond strength, however, the influence is smaller.
PB  - Elsevier
T2  - Journal of Inorganic Biochemistry
T1  - Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion
VL  - 251
SP  - 112442
DO  - 10.1016/j.jinorgbio.2023.112442
ER  - 
@article{
author = "Zrilić, Sonja S. and Živković, Jelena and Zarić, Snežana D.",
year = "2024",
abstract = "Hydrogen bonds of glycine complexes were calculated using quantum chemistry calculations at M06L-GD3/def2-TZVPP level and by analyzing the crystal structures from the Cambridge Structural Database (CSD). One hydrogen bond where amino acid plays the role of the H-donor (NH/O), and two where it plays the role of the H-acceptor (O1/HO, O1 is a coordinated oxygen atom, and, O2/HO, O2 is a non-coordinated oxygen atom) were investigated. The calculations were done on octahedral nickel(II), square pyramidal copper(II), square planar copper(II), palladium(II), and platinum(II) glycine complexes with different charges adjusted using water(s) and/or chlorine ion(s) as the remaining ligands. For NH/O hydrogen bond, interaction energies of neutral complexes are the weakest, from -5.2 to -7.2 kcal/mol for neutral, stronger for singly positive, from -8.3 to -12.1 kcal/mol, and the strongest for doubly positive complex, -16.9 kcal/mol. For O1/HO and O2/HO interactions, neutral complexes have weaker interaction energies (from -2.2 to -5.1 kcal/mol for O1/HO, and from -3.7 to -5.0 kcal/mol for O2/HO), than for singly negative complexes (from -6.9 to -8.2 kcal/mol for O1/HO, and from -8.0 to -9.0 kcal/mol for O2/HO). Additionally to the complex charge, metal oxidation number, coordination number, and metal atomic number also influence the hydrogen bond strength, however, the influence is smaller.",
publisher = "Elsevier",
journal = "Journal of Inorganic Biochemistry",
title = "Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion",
volume = "251",
pages = "112442",
doi = "10.1016/j.jinorgbio.2023.112442"
}
Zrilić, S. S., Živković, J.,& Zarić, S. D.. (2024). Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion. in Journal of Inorganic Biochemistry
Elsevier., 251, 112442.
https://doi.org/10.1016/j.jinorgbio.2023.112442
Zrilić SS, Živković J, Zarić SD. Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion. in Journal of Inorganic Biochemistry. 2024;251:112442.
doi:10.1016/j.jinorgbio.2023.112442 .
Zrilić, Sonja S., Živković, Jelena, Zarić, Snežana D., "Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion" in Journal of Inorganic Biochemistry, 251 (2024):112442,
https://doi.org/10.1016/j.jinorgbio.2023.112442 . .

Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere

Blagojević Filipović, Jelena P.; Vojislavljević-Vasilev, Dubravka Z.; Zarić, Snežana D.

(American Chemical Society, 2024)

TY  - JOUR
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka Z.
AU  - Zarić, Snežana D.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6457
AB  - Interactions of coordinated ammonia and C6-aromatic rings were studied by analyzing crystal structures in the Cambridge Structural Database (CSD) and by quantum chemical calculations. Interactions between coordinated ammonia and C6-aromatic rings in the crystal structures from the CSD can have one, two, or three ammine ligands interacting with the aromatic ring, while the most frequent are the interactions with one interacting ammine ligand. The distance between coordinated ammonia and the aromatic ring is significantly influenced by charges of the species; the shortest distances were observed for interactions with oppositely charged species. The interaction energies were calculated in model systems between the benzene molecule and coordinated ammonia in metal ammine complexes. In the calculations, we studied the influence of the number of interacting ammine ligands, the complex charge, the metal atom size and the coordination number on the strength of the interactions. The results show that the interaction strength increases with an increasing number of interacting ammine ligands, with an increasing complex charge and with a decreasing metal atom size and the coordination number in the ammine complex. For example, the interaction between the [Co(NH3)6]3+ complex and benzene is the weakest in the case of one interacting ammine ligand (−30.82 kcal/mol), stronger in the case of two interacting ammine ligands (−33.61 kcal/mol), and the strongest in the case of three interacting ligands (−34.16 kcal/mol). For metal complexes with charges +1, +2, and +3, the calculated interaction energies with one interacting ammine ligand can be as strong as −10.51, −15.75, and −30.82 kcal/mol. Complexes [Ni(NH3)6]2+ and [Cd(NH3)6]2+ differ by the metal atom size. The interaction is stronger in the case of the smaller [Ni(NH3)6]2+ complex (−15.75 kcal/mol) compared to the larger [Cd(NH3)6]2+ complex (−12.94 kcal/mol). In addition, complexes with coordination number four form stronger interactions than complexes with coordination number six. In the cases with two interacting ammine ligands, the interacting energy in the [Pt(NH3)4]2+/benzene system is −22.09 kcal/mol, while in the [Cd(NH3)6]2+/benzene system, it is −14.93 kcal/mol.
PB  - American Chemical Society
T2  - Crystal Growth & Design
T1  - Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere
VL  - 24
IS  - 4
SP  - 1705
EP  - 1714
DO  - 10.1021/acs.cgd.3c01346
ER  - 
@article{
author = "Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka Z. and Zarić, Snežana D.",
year = "2024",
abstract = "Interactions of coordinated ammonia and C6-aromatic rings were studied by analyzing crystal structures in the Cambridge Structural Database (CSD) and by quantum chemical calculations. Interactions between coordinated ammonia and C6-aromatic rings in the crystal structures from the CSD can have one, two, or three ammine ligands interacting with the aromatic ring, while the most frequent are the interactions with one interacting ammine ligand. The distance between coordinated ammonia and the aromatic ring is significantly influenced by charges of the species; the shortest distances were observed for interactions with oppositely charged species. The interaction energies were calculated in model systems between the benzene molecule and coordinated ammonia in metal ammine complexes. In the calculations, we studied the influence of the number of interacting ammine ligands, the complex charge, the metal atom size and the coordination number on the strength of the interactions. The results show that the interaction strength increases with an increasing number of interacting ammine ligands, with an increasing complex charge and with a decreasing metal atom size and the coordination number in the ammine complex. For example, the interaction between the [Co(NH3)6]3+ complex and benzene is the weakest in the case of one interacting ammine ligand (−30.82 kcal/mol), stronger in the case of two interacting ammine ligands (−33.61 kcal/mol), and the strongest in the case of three interacting ligands (−34.16 kcal/mol). For metal complexes with charges +1, +2, and +3, the calculated interaction energies with one interacting ammine ligand can be as strong as −10.51, −15.75, and −30.82 kcal/mol. Complexes [Ni(NH3)6]2+ and [Cd(NH3)6]2+ differ by the metal atom size. The interaction is stronger in the case of the smaller [Ni(NH3)6]2+ complex (−15.75 kcal/mol) compared to the larger [Cd(NH3)6]2+ complex (−12.94 kcal/mol). In addition, complexes with coordination number four form stronger interactions than complexes with coordination number six. In the cases with two interacting ammine ligands, the interacting energy in the [Pt(NH3)4]2+/benzene system is −22.09 kcal/mol, while in the [Cd(NH3)6]2+/benzene system, it is −14.93 kcal/mol.",
publisher = "American Chemical Society",
journal = "Crystal Growth & Design",
title = "Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere",
volume = "24",
number = "4",
pages = "1705-1714",
doi = "10.1021/acs.cgd.3c01346"
}
Blagojević Filipović, J. P., Vojislavljević-Vasilev, D. Z.,& Zarić, S. D.. (2024). Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere. in Crystal Growth & Design
American Chemical Society., 24(4), 1705-1714.
https://doi.org/10.1021/acs.cgd.3c01346
Blagojević Filipović JP, Vojislavljević-Vasilev DZ, Zarić SD. Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere. in Crystal Growth & Design. 2024;24(4):1705-1714.
doi:10.1021/acs.cgd.3c01346 .
Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka Z., Zarić, Snežana D., "Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere" in Crystal Growth & Design, 24, no. 4 (2024):1705-1714,
https://doi.org/10.1021/acs.cgd.3c01346 . .

Novel cinnamic acid-based PET derivatives as quorum sensing modulators

Skaro Bogojevic, S; Perminova, D; Jaksic, J; Milcic, M; Medakovic, V; Milovanovic, J; Nikodinovic-Runic, J; Maslak, V

(Elsevier, 2024)

TY  - JOUR
AU  - Skaro Bogojevic, S
AU  - Perminova, D
AU  - Jaksic, J
AU  - Milcic, M
AU  - Medakovic, V
AU  - Milovanovic, J
AU  - Nikodinovic-Runic, J
AU  - Maslak, V
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6476
AB  - Poly(ethylene terephthalate) (PET) is widely used material in the healthcare due to its mechanical properties including resistance to chemicals and abrasion. However, it is susceptible to bacterial attachment and contamination. This study addresses some newly designed model compounds of PET with antimicrobial properties that could potentially be incorporated into PET materials. All compounds were synthesized for the first time by labeling an integral part of PET with chromophores in the form of esters of cinnamic and ferulic acids. After complete structural characterization, the effect of new compounds on microbial growth and communication (quorum sensing, QS) was analyzed and further investigated using molecular docking. The obtained results indicate that the introduction of chromophores that have one part of cinnamic acid enriched with a methoxy functional group in them acts as QS modulators. Moreover, compounds exhibited dose-dependent selectivity toward QS signaling pathways and the highest tested concentration of compounds showed Pseudomonas Quinolone Signal (PQS) inhibitory activity suggesting that these compounds have a potential effect on pyocyanin production. Docking studies demonstrated that compounds hold binding power to all four QS protein targets (LuxP, periplasmatic protein that binds AI-2 inducer and forms a complex able to transduce the autoinducer signal, RhIR protein that is a key QS transcriptional regulator that activates the genes involved in the synthesis of rhamnolipids and pyocyanin, AbaI protein that has a role in QS signal transduction, and LasR protein which is a key QS transcriptional regulator that activates transcription of genes coding for some virulence-associated traits) while the highest binding strength is observed with compounds 2 and 6 containing single cinnamic acid fragment, suggesting their further biomedical application.
PB  - Elsevier
T2  - Journal of Molecular Structure
T1  - Novel cinnamic acid-based PET derivatives as quorum sensing modulators
VL  - 1300
SP  - 137291
DO  - 10.1016/j.molstruc.2023.137291
ER  - 
@article{
author = "Skaro Bogojevic, S and Perminova, D and Jaksic, J and Milcic, M and Medakovic, V and Milovanovic, J and Nikodinovic-Runic, J and Maslak, V",
year = "2024",
abstract = "Poly(ethylene terephthalate) (PET) is widely used material in the healthcare due to its mechanical properties including resistance to chemicals and abrasion. However, it is susceptible to bacterial attachment and contamination. This study addresses some newly designed model compounds of PET with antimicrobial properties that could potentially be incorporated into PET materials. All compounds were synthesized for the first time by labeling an integral part of PET with chromophores in the form of esters of cinnamic and ferulic acids. After complete structural characterization, the effect of new compounds on microbial growth and communication (quorum sensing, QS) was analyzed and further investigated using molecular docking. The obtained results indicate that the introduction of chromophores that have one part of cinnamic acid enriched with a methoxy functional group in them acts as QS modulators. Moreover, compounds exhibited dose-dependent selectivity toward QS signaling pathways and the highest tested concentration of compounds showed Pseudomonas Quinolone Signal (PQS) inhibitory activity suggesting that these compounds have a potential effect on pyocyanin production. Docking studies demonstrated that compounds hold binding power to all four QS protein targets (LuxP, periplasmatic protein that binds AI-2 inducer and forms a complex able to transduce the autoinducer signal, RhIR protein that is a key QS transcriptional regulator that activates the genes involved in the synthesis of rhamnolipids and pyocyanin, AbaI protein that has a role in QS signal transduction, and LasR protein which is a key QS transcriptional regulator that activates transcription of genes coding for some virulence-associated traits) while the highest binding strength is observed with compounds 2 and 6 containing single cinnamic acid fragment, suggesting their further biomedical application.",
publisher = "Elsevier",
journal = "Journal of Molecular Structure",
title = "Novel cinnamic acid-based PET derivatives as quorum sensing modulators",
volume = "1300",
pages = "137291",
doi = "10.1016/j.molstruc.2023.137291"
}
Skaro Bogojevic, S., Perminova, D., Jaksic, J., Milcic, M., Medakovic, V., Milovanovic, J., Nikodinovic-Runic, J.,& Maslak, V.. (2024). Novel cinnamic acid-based PET derivatives as quorum sensing modulators. in Journal of Molecular Structure
Elsevier., 1300, 137291.
https://doi.org/10.1016/j.molstruc.2023.137291
Skaro Bogojevic S, Perminova D, Jaksic J, Milcic M, Medakovic V, Milovanovic J, Nikodinovic-Runic J, Maslak V. Novel cinnamic acid-based PET derivatives as quorum sensing modulators. in Journal of Molecular Structure. 2024;1300:137291.
doi:10.1016/j.molstruc.2023.137291 .
Skaro Bogojevic, S, Perminova, D, Jaksic, J, Milcic, M, Medakovic, V, Milovanovic, J, Nikodinovic-Runic, J, Maslak, V, "Novel cinnamic acid-based PET derivatives as quorum sensing modulators" in Journal of Molecular Structure, 1300 (2024):137291,
https://doi.org/10.1016/j.molstruc.2023.137291 . .
1

Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies

Ferjancic, Zorana; Bihelovic, Filip; Vulovic, Bojan; Matovic, Radomir; Trmcic, Milena; Jankovic, Aleksandar; Pavlovic, Milos; Djurkovic, Filip; Prodanovic, Radivoje; Djurdjevic Djelmas, Aleksandra; Kalicanin, Nevena; Zlatovic, Mario; Sladic, Dusan; Vallet, Thomas; Vignuzzi, Marco; Saicic, Radomir N.

(Taylor and Francis Group, 2024)

TY  - JOUR
AU  - Ferjancic, Zorana
AU  - Bihelovic, Filip
AU  - Vulovic, Bojan
AU  - Matovic, Radomir
AU  - Trmcic, Milena
AU  - Jankovic, Aleksandar
AU  - Pavlovic, Milos
AU  - Djurkovic, Filip
AU  - Prodanovic, Radivoje
AU  - Djurdjevic Djelmas, Aleksandra
AU  - Kalicanin, Nevena
AU  - Zlatovic, Mario
AU  - Sladic, Dusan
AU  - Vallet, Thomas
AU  - Vignuzzi, Marco
AU  - Saicic, Radomir N.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6475
AB  - We developed new iminosugar-based glycosidase inhibitors against SARS-CoV-2. Known drugs (miglustat, migalastat, miglitol, and swainsonine) were chosen as lead compounds to develop three classes of glycosidase inhibitors (α-glucosidase, α-galactosidase, and mannosidase). Molecular modelling of the lead compounds, synthesis of the compounds with the highest docking scores, enzyme inhibition tests, and in vitro antiviral assays afforded rationally designed inhibitors. Two highly active α-glucosidase inhibitors were discovered, where one of them is the most potent iminosugar-based anti-SARS-CoV-2 agent to date (EC90 = 1.94 µM in A549-ACE2 cells against Omicron BA.1 strain). However, galactosidase inhibitors did not exhibit antiviral activity, whereas mannosidase inhibitors were both active and cytotoxic. As our iminosugar-based drug candidates act by a host-directed mechanism, they should be more resilient to drug resistance. Moreover, this strategy could be extended to identify potential drug candidates for other viral infections.
PB  - Taylor and Francis Group
T2  - Journal of Enzyme Inhibition and Medicinal Chemistry
T1  - Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies
VL  - 39
IS  - 1
SP  - 2289007
DO  - 10.1080/14756366.2023.2289007
ER  - 
@article{
author = "Ferjancic, Zorana and Bihelovic, Filip and Vulovic, Bojan and Matovic, Radomir and Trmcic, Milena and Jankovic, Aleksandar and Pavlovic, Milos and Djurkovic, Filip and Prodanovic, Radivoje and Djurdjevic Djelmas, Aleksandra and Kalicanin, Nevena and Zlatovic, Mario and Sladic, Dusan and Vallet, Thomas and Vignuzzi, Marco and Saicic, Radomir N.",
year = "2024",
abstract = "We developed new iminosugar-based glycosidase inhibitors against SARS-CoV-2. Known drugs (miglustat, migalastat, miglitol, and swainsonine) were chosen as lead compounds to develop three classes of glycosidase inhibitors (α-glucosidase, α-galactosidase, and mannosidase). Molecular modelling of the lead compounds, synthesis of the compounds with the highest docking scores, enzyme inhibition tests, and in vitro antiviral assays afforded rationally designed inhibitors. Two highly active α-glucosidase inhibitors were discovered, where one of them is the most potent iminosugar-based anti-SARS-CoV-2 agent to date (EC90 = 1.94 µM in A549-ACE2 cells against Omicron BA.1 strain). However, galactosidase inhibitors did not exhibit antiviral activity, whereas mannosidase inhibitors were both active and cytotoxic. As our iminosugar-based drug candidates act by a host-directed mechanism, they should be more resilient to drug resistance. Moreover, this strategy could be extended to identify potential drug candidates for other viral infections.",
publisher = "Taylor and Francis Group",
journal = "Journal of Enzyme Inhibition and Medicinal Chemistry",
title = "Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies",
volume = "39",
number = "1",
pages = "2289007",
doi = "10.1080/14756366.2023.2289007"
}
Ferjancic, Z., Bihelovic, F., Vulovic, B., Matovic, R., Trmcic, M., Jankovic, A., Pavlovic, M., Djurkovic, F., Prodanovic, R., Djurdjevic Djelmas, A., Kalicanin, N., Zlatovic, M., Sladic, D., Vallet, T., Vignuzzi, M.,& Saicic, R. N.. (2024). Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies. in Journal of Enzyme Inhibition and Medicinal Chemistry
Taylor and Francis Group., 39(1), 2289007.
https://doi.org/10.1080/14756366.2023.2289007
Ferjancic Z, Bihelovic F, Vulovic B, Matovic R, Trmcic M, Jankovic A, Pavlovic M, Djurkovic F, Prodanovic R, Djurdjevic Djelmas A, Kalicanin N, Zlatovic M, Sladic D, Vallet T, Vignuzzi M, Saicic RN. Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies. in Journal of Enzyme Inhibition and Medicinal Chemistry. 2024;39(1):2289007.
doi:10.1080/14756366.2023.2289007 .
Ferjancic, Zorana, Bihelovic, Filip, Vulovic, Bojan, Matovic, Radomir, Trmcic, Milena, Jankovic, Aleksandar, Pavlovic, Milos, Djurkovic, Filip, Prodanovic, Radivoje, Djurdjevic Djelmas, Aleksandra, Kalicanin, Nevena, Zlatovic, Mario, Sladic, Dusan, Vallet, Thomas, Vignuzzi, Marco, Saicic, Radomir N., "Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies" in Journal of Enzyme Inhibition and Medicinal Chemistry, 39, no. 1 (2024):2289007,
https://doi.org/10.1080/14756366.2023.2289007 . .
4

Dizajn i sinteza modela lignina obeleženog sa 4-metil-7-hidroksikumarinom

Pašić, Tijana

(2024)

TY  - THES
AU  - Pašić, Tijana
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6474
AB  - Cilj rada je bila sinteza model jedinjenja lignina obleženog sa kumarinskom fluoroforom. Ciljni molekuli su dobri modeli za proučavanje delovanja različitih enzima na lignine, kao i zbog širokog spektra bioloških aktivnosti koje poseduju ove klase jedinjenja.
T1  - Dizajn i sinteza modela lignina obeleženog sa 4-metil-7-hidroksikumarinom
SP  - 1
EP  - 27
ER  - 
@misc{
author = "Pašić, Tijana",
year = "2024",
abstract = "Cilj rada je bila sinteza model jedinjenja lignina obleženog sa kumarinskom fluoroforom. Ciljni molekuli su dobri modeli za proučavanje delovanja različitih enzima na lignine, kao i zbog širokog spektra bioloških aktivnosti koje poseduju ove klase jedinjenja.",
title = "Dizajn i sinteza modela lignina obeleženog sa 4-metil-7-hidroksikumarinom",
pages = "1-27"
}
Pašić, T.. (2024). Dizajn i sinteza modela lignina obeleženog sa 4-metil-7-hidroksikumarinom. , 1-27.
Pašić T. Dizajn i sinteza modela lignina obeleženog sa 4-metil-7-hidroksikumarinom. 2024;:1-27..
Pašić, Tijana, "Dizajn i sinteza modela lignina obeleženog sa 4-metil-7-hidroksikumarinom" (2024):1-27.

Synthesis, computational and pharmacological evaluation of novel N-{4-[2-(4-aryl-piperazin-1-yl)ethyl]phenyl}-arylamides

Andrić, Deana B.; Dukić-Stefanović, Slađana; Krunić, Mihajlo J.; Jevtić, Ivana I.; Penjišević, Jelena Z.; Šukalović, Vladimir B.; Kostić-Rajačić, Slađana

(Belgrade : Serbian Chemical Society, 2024)

TY  - JOUR
AU  - Andrić, Deana B.
AU  - Dukić-Stefanović, Slađana
AU  - Krunić, Mihajlo J.
AU  - Jevtić, Ivana I.
AU  - Penjišević, Jelena Z.
AU  - Šukalović, Vladimir B.
AU  - Kostić-Rajačić, Slađana
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6472
AB  - Serotonin, or 5-hydroxytryptamine (5-HT), is a biogenic amine most
noted as a neurotransmitter, an activator of the utmost subtype family of G-protein-
coupled receptors (GPCR). Drugs targeting 5-HT1A and other 5-HT receptors
treat central nervous system diseases such as schizophrenia and depression.
Recent advances in serotonin receptor structure research gave us several
crystal 5-HT1A receptor structures, most notably 5-HT1A bound to the antipsychotic
drug aripiprazole (Abilify®). This discovery prompted us to evaluate
a series of newly synthesized ligands for serotonergic activity since those arylpiperazine
derivatives share minimal general structure with aripiprazole. The
results of molecular docking analysis of unsubstituted starting substances
encouraged us to propound further modifications of the tail and head parts of
the parent molecules to maximize receptor binding affinity. Intrigued by the
results of molecular analysis, all foreseen derivatives were synthesized. The
pharmacological activity of all nine (5a and 6a are synthesized previously)
compounds was assessed by the in vitro tests and in silico pharmacokinetics
predictions for the most promising candidates. All tested ligands have improved
affinity compering to parent compounds (10a and 11a), 8b and 9b expressed
the best pharmacological profile with an improved binding affinity
toward serotonin 5-HT1A receptors (Ki 12.1 and 4.8 nM, respectively).
PB  - Belgrade : Serbian Chemical Society
T2  - J. Serb. Chem. Soc.
T1  - Synthesis, computational and pharmacological evaluation of novel N-{4-[2-(4-aryl-piperazin-1-yl)ethyl]phenyl}-arylamides
VL  - 89
IS  - 3
SP  - 291
EP  - 303
DO  - 10.2298/JSC230906076A
ER  - 
@article{
author = "Andrić, Deana B. and Dukić-Stefanović, Slađana and Krunić, Mihajlo J. and Jevtić, Ivana I. and Penjišević, Jelena Z. and Šukalović, Vladimir B. and Kostić-Rajačić, Slađana",
year = "2024",
abstract = "Serotonin, or 5-hydroxytryptamine (5-HT), is a biogenic amine most
noted as a neurotransmitter, an activator of the utmost subtype family of G-protein-
coupled receptors (GPCR). Drugs targeting 5-HT1A and other 5-HT receptors
treat central nervous system diseases such as schizophrenia and depression.
Recent advances in serotonin receptor structure research gave us several
crystal 5-HT1A receptor structures, most notably 5-HT1A bound to the antipsychotic
drug aripiprazole (Abilify®). This discovery prompted us to evaluate
a series of newly synthesized ligands for serotonergic activity since those arylpiperazine
derivatives share minimal general structure with aripiprazole. The
results of molecular docking analysis of unsubstituted starting substances
encouraged us to propound further modifications of the tail and head parts of
the parent molecules to maximize receptor binding affinity. Intrigued by the
results of molecular analysis, all foreseen derivatives were synthesized. The
pharmacological activity of all nine (5a and 6a are synthesized previously)
compounds was assessed by the in vitro tests and in silico pharmacokinetics
predictions for the most promising candidates. All tested ligands have improved
affinity compering to parent compounds (10a and 11a), 8b and 9b expressed
the best pharmacological profile with an improved binding affinity
toward serotonin 5-HT1A receptors (Ki 12.1 and 4.8 nM, respectively).",
publisher = "Belgrade : Serbian Chemical Society",
journal = "J. Serb. Chem. Soc.",
title = "Synthesis, computational and pharmacological evaluation of novel N-{4-[2-(4-aryl-piperazin-1-yl)ethyl]phenyl}-arylamides",
volume = "89",
number = "3",
pages = "291-303",
doi = "10.2298/JSC230906076A"
}
Andrić, D. B., Dukić-Stefanović, S., Krunić, M. J., Jevtić, I. I., Penjišević, J. Z., Šukalović, V. B.,& Kostić-Rajačić, S.. (2024). Synthesis, computational and pharmacological evaluation of novel N-{4-[2-(4-aryl-piperazin-1-yl)ethyl]phenyl}-arylamides. in J. Serb. Chem. Soc.
Belgrade : Serbian Chemical Society., 89(3), 291-303.
https://doi.org/10.2298/JSC230906076A
Andrić DB, Dukić-Stefanović S, Krunić MJ, Jevtić II, Penjišević JZ, Šukalović VB, Kostić-Rajačić S. Synthesis, computational and pharmacological evaluation of novel N-{4-[2-(4-aryl-piperazin-1-yl)ethyl]phenyl}-arylamides. in J. Serb. Chem. Soc.. 2024;89(3):291-303.
doi:10.2298/JSC230906076A .
Andrić, Deana B., Dukić-Stefanović, Slađana, Krunić, Mihajlo J., Jevtić, Ivana I., Penjišević, Jelena Z., Šukalović, Vladimir B., Kostić-Rajačić, Slađana, "Synthesis, computational and pharmacological evaluation of novel N-{4-[2-(4-aryl-piperazin-1-yl)ethyl]phenyl}-arylamides" in J. Serb. Chem. Soc., 89, no. 3 (2024):291-303,
https://doi.org/10.2298/JSC230906076A . .

Ispitivanje inhibicije papaina jodacetaminom na suboptimalnim pH vrednostima

Havjar, Andrea

(2024)

TY  - THES
AU  - Havjar, Andrea
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6471
AB  - Cistein proteaze poznate još kao tiol proteaze predstavljaju široku klasu proteolitičkih enzima i široko su rasprostranjene među živim organizmima. U papainsku superfamiliju cistein proteaza C1 spadaju papain, kimopapain, karikain, bromalein, aktinidin, ficin i cistein katepsini. Svi proteini iz ove familije imaju sličnu trodimenzionalnu strukturu, molekulsku masu, neutralni pH optimum kao i mehanizam katalize odnosno sličan aktivni centar.
Papain je sulfhidril proteaza izolovana iz lateksa papaje (Carica papaya), koja se kao i druge proteaze iz ove familije izolujue u inaktivnoj ili manje aktivnoj formi, jer je cisteinski ostatak u aktivnom centru blokiran disulfidnom vezom drugog cisteina. Aktivacija se odigrava intra- ili intermolekulskom proteolizom.
T1  - Ispitivanje inhibicije papaina jodacetaminom na suboptimalnim pH vrednostima
SP  - 1
EP  - 26
ER  - 
@misc{
author = "Havjar, Andrea",
year = "2024",
abstract = "Cistein proteaze poznate još kao tiol proteaze predstavljaju široku klasu proteolitičkih enzima i široko su rasprostranjene među živim organizmima. U papainsku superfamiliju cistein proteaza C1 spadaju papain, kimopapain, karikain, bromalein, aktinidin, ficin i cistein katepsini. Svi proteini iz ove familije imaju sličnu trodimenzionalnu strukturu, molekulsku masu, neutralni pH optimum kao i mehanizam katalize odnosno sličan aktivni centar.
Papain je sulfhidril proteaza izolovana iz lateksa papaje (Carica papaya), koja se kao i druge proteaze iz ove familije izolujue u inaktivnoj ili manje aktivnoj formi, jer je cisteinski ostatak u aktivnom centru blokiran disulfidnom vezom drugog cisteina. Aktivacija se odigrava intra- ili intermolekulskom proteolizom.",
title = "Ispitivanje inhibicije papaina jodacetaminom na suboptimalnim pH vrednostima",
pages = "1-26"
}
Havjar, A.. (2024). Ispitivanje inhibicije papaina jodacetaminom na suboptimalnim pH vrednostima. , 1-26.
Havjar A. Ispitivanje inhibicije papaina jodacetaminom na suboptimalnim pH vrednostima. 2024;:1-26..
Havjar, Andrea, "Ispitivanje inhibicije papaina jodacetaminom na suboptimalnim pH vrednostima" (2024):1-26.

Evaluation of lipophilicity and drug-likeness of donepezil-like compounds using reversed-phase thin-layer chromatography

Šegan, Sandra; Krunić, Mihajlo J.; Andrić, Deana B.; Šukalović, Vladimir B.; Penjišević, Jelena Z.; Jevtić, Ivana I.

(Wiley, 2024)

TY  - JOUR
AU  - Šegan, Sandra
AU  - Krunić, Mihajlo J.
AU  - Andrić, Deana B.
AU  - Šukalović, Vladimir B.
AU  - Penjišević, Jelena Z.
AU  - Jevtić, Ivana I.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6473
AB  - Fourteen donepezil-like acetylcholinesterase (AChE) inhibitors from our library were
analyzed using reversed-phase thin-layer chromatography to assess their lipophilicity
and blood–brain barrier permeability. Compounds possessed N-benzylpiperidine and
N,N-diarylpiperazine moieties connected via a short carboxamide or amine linker.
Retention parameters RM
0, b, and C0 were considered as the measures of lipophilicity.
Besides, logD of the investigated compounds was determined chromatographically
using standard compounds with known logPow and logD values at pH 11. Experimentally
obtained lipophilicity parameters correlated well with in silico generated results,
and the effect of the nature of the linker between two pharmacophores and
substituents on the arylpiperazine part of the molecule was observed. As a result of
drug-likeness analysis, both Lipinski's rule of five and Veber's rule parameters were
determined, suggesting that examined compounds could be potential candidates for
further drug development. Principal component analysis was performed to obtain an
insight into a grouping of compounds based on calculated structural descriptors,
experimentally obtained values of lipophilicity, and AChE inhibitory activity.
PB  - Wiley
T2  - Biomedical Chromatography
T1  - Evaluation of lipophilicity and drug-likeness of donepezil-like compounds using reversed-phase thin-layer chromatography
VL  - n/a
SP  - e5864
DO  - 10.1002/bmc.5867
ER  - 
@article{
author = "Šegan, Sandra and Krunić, Mihajlo J. and Andrić, Deana B. and Šukalović, Vladimir B. and Penjišević, Jelena Z. and Jevtić, Ivana I.",
year = "2024",
abstract = "Fourteen donepezil-like acetylcholinesterase (AChE) inhibitors from our library were
analyzed using reversed-phase thin-layer chromatography to assess their lipophilicity
and blood–brain barrier permeability. Compounds possessed N-benzylpiperidine and
N,N-diarylpiperazine moieties connected via a short carboxamide or amine linker.
Retention parameters RM
0, b, and C0 were considered as the measures of lipophilicity.
Besides, logD of the investigated compounds was determined chromatographically
using standard compounds with known logPow and logD values at pH 11. Experimentally
obtained lipophilicity parameters correlated well with in silico generated results,
and the effect of the nature of the linker between two pharmacophores and
substituents on the arylpiperazine part of the molecule was observed. As a result of
drug-likeness analysis, both Lipinski's rule of five and Veber's rule parameters were
determined, suggesting that examined compounds could be potential candidates for
further drug development. Principal component analysis was performed to obtain an
insight into a grouping of compounds based on calculated structural descriptors,
experimentally obtained values of lipophilicity, and AChE inhibitory activity.",
publisher = "Wiley",
journal = "Biomedical Chromatography",
title = "Evaluation of lipophilicity and drug-likeness of donepezil-like compounds using reversed-phase thin-layer chromatography",
volume = "n/a",
pages = "e5864",
doi = "10.1002/bmc.5867"
}
Šegan, S., Krunić, M. J., Andrić, D. B., Šukalović, V. B., Penjišević, J. Z.,& Jevtić, I. I.. (2024). Evaluation of lipophilicity and drug-likeness of donepezil-like compounds using reversed-phase thin-layer chromatography. in Biomedical Chromatography
Wiley., n/a, e5864.
https://doi.org/10.1002/bmc.5867
Šegan S, Krunić MJ, Andrić DB, Šukalović VB, Penjišević JZ, Jevtić II. Evaluation of lipophilicity and drug-likeness of donepezil-like compounds using reversed-phase thin-layer chromatography. in Biomedical Chromatography. 2024;n/a:e5864.
doi:10.1002/bmc.5867 .
Šegan, Sandra, Krunić, Mihajlo J., Andrić, Deana B., Šukalović, Vladimir B., Penjišević, Jelena Z., Jevtić, Ivana I., "Evaluation of lipophilicity and drug-likeness of donepezil-like compounds using reversed-phase thin-layer chromatography" in Biomedical Chromatography, n/a (2024):e5864,
https://doi.org/10.1002/bmc.5867 . .

Multi-target potential of newly designed tacrine-derived cholinesterase inhibitors: Synthesis, computational and pharmacological study

Jevtić, Ivana I.; Suručić, Relja V.; Tovilović-Kovačević, Gordana; Zogović, Nevena; Kostić-Rajačić, Sladjana V.; Andrić, Deana; Penjišević, Jelena Z.

(Elsevier, 2024)

TY  - JOUR
AU  - Jevtić, Ivana I.
AU  - Suručić, Relja V.
AU  - Tovilović-Kovačević, Gordana
AU  - Zogović, Nevena
AU  - Kostić-Rajačić, Sladjana V.
AU  - Andrić, Deana
AU  - Penjišević, Jelena Z.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6446
AB  - Simple and scalable synthetic approach was used for the preparation of thirteen novel tacrine derivatives consisting
of tacrine and N-aryl-piperidine-4-carboxamide moiety connected by a five-methylene group linker. An
anti-Alzheimer disease (AD) potential of newly designed tacrine derivatives was evaluated against two important
AD targets, acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). In vitro pharmacological evaluation
showed strong ChE inhibitory activity of all compounds, with IC50 values ranging from 117.5 to 455 nM for AChE
and 34 to 324 nM for BuChE. As a representative of the series with the best cytotoxicity / ChE inhibitory activity
ratio, expressed as the selectivity index (SI), 2-chlorobenzoyl derivative demonstrated mixed-type inhibition on
AChE and BuChE, suggesting binding to both CAS and PAS of the enzymes. It also exhibited antioxidant capacity
and neuroprotective potential against amyloid-β (Aβ) toxicity in the culture of neuron-like cells. In-depth
computational analysis corroborated well with in vitro ChE inhibition, illuminating that all compounds exhibit
significant potential in targeting both enzymes. Molecular dynamics (MD) simulations revealed that 2-chlorobenzoyl
derivative, created complexes with AChE and BuChE that demonstrated sufficient stability throughout the
observed MD simulation. Computationally predicted ADME properties indicated that these compounds should
have good blood–brain barrier (BBB) permeability, an important factor for CNS-targeting drugs. Overall, all
tested compounds showed promising pharmacological behavior, highlighting the multi-target potential of 2-
chlorobenzoyl derivative which should be further investigated as a new lead in the drug development process.
PB  - Elsevier
T2  - Bioorganic & Medicinal Chemistry
T1  - Multi-target potential of newly designed tacrine-derived cholinesterase inhibitors: Synthesis, computational and pharmacological study
VL  - 101
SP  - 117649
DO  - 10.1016/j.bmc.2024.117649
ER  - 
@article{
author = "Jevtić, Ivana I. and Suručić, Relja V. and Tovilović-Kovačević, Gordana and Zogović, Nevena and Kostić-Rajačić, Sladjana V. and Andrić, Deana and Penjišević, Jelena Z.",
year = "2024",
abstract = "Simple and scalable synthetic approach was used for the preparation of thirteen novel tacrine derivatives consisting
of tacrine and N-aryl-piperidine-4-carboxamide moiety connected by a five-methylene group linker. An
anti-Alzheimer disease (AD) potential of newly designed tacrine derivatives was evaluated against two important
AD targets, acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). In vitro pharmacological evaluation
showed strong ChE inhibitory activity of all compounds, with IC50 values ranging from 117.5 to 455 nM for AChE
and 34 to 324 nM for BuChE. As a representative of the series with the best cytotoxicity / ChE inhibitory activity
ratio, expressed as the selectivity index (SI), 2-chlorobenzoyl derivative demonstrated mixed-type inhibition on
AChE and BuChE, suggesting binding to both CAS and PAS of the enzymes. It also exhibited antioxidant capacity
and neuroprotective potential against amyloid-β (Aβ) toxicity in the culture of neuron-like cells. In-depth
computational analysis corroborated well with in vitro ChE inhibition, illuminating that all compounds exhibit
significant potential in targeting both enzymes. Molecular dynamics (MD) simulations revealed that 2-chlorobenzoyl
derivative, created complexes with AChE and BuChE that demonstrated sufficient stability throughout the
observed MD simulation. Computationally predicted ADME properties indicated that these compounds should
have good blood–brain barrier (BBB) permeability, an important factor for CNS-targeting drugs. Overall, all
tested compounds showed promising pharmacological behavior, highlighting the multi-target potential of 2-
chlorobenzoyl derivative which should be further investigated as a new lead in the drug development process.",
publisher = "Elsevier",
journal = "Bioorganic & Medicinal Chemistry",
title = "Multi-target potential of newly designed tacrine-derived cholinesterase inhibitors: Synthesis, computational and pharmacological study",
volume = "101",
pages = "117649",
doi = "10.1016/j.bmc.2024.117649"
}
Jevtić, I. I., Suručić, R. V., Tovilović-Kovačević, G., Zogović, N., Kostić-Rajačić, S. V., Andrić, D.,& Penjišević, J. Z.. (2024). Multi-target potential of newly designed tacrine-derived cholinesterase inhibitors: Synthesis, computational and pharmacological study. in Bioorganic & Medicinal Chemistry
Elsevier., 101, 117649.
https://doi.org/10.1016/j.bmc.2024.117649
Jevtić II, Suručić RV, Tovilović-Kovačević G, Zogović N, Kostić-Rajačić SV, Andrić D, Penjišević JZ. Multi-target potential of newly designed tacrine-derived cholinesterase inhibitors: Synthesis, computational and pharmacological study. in Bioorganic & Medicinal Chemistry. 2024;101:117649.
doi:10.1016/j.bmc.2024.117649 .
Jevtić, Ivana I., Suručić, Relja V., Tovilović-Kovačević, Gordana, Zogović, Nevena, Kostić-Rajačić, Sladjana V., Andrić, Deana, Penjišević, Jelena Z., "Multi-target potential of newly designed tacrine-derived cholinesterase inhibitors: Synthesis, computational and pharmacological study" in Bioorganic & Medicinal Chemistry, 101 (2024):117649,
https://doi.org/10.1016/j.bmc.2024.117649 . .
10

Argon plasma at 35 W in nonthermal plasma reactor - an original DBD reactor

Savić, Slađana D.

(2024)

TY  - DATA
AU  - Savić, Slađana D.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6470
AB  - Here we see the nonthermal plasma reactor in argon atmosphere, with coaxial configuration and dielectric barrier discharge, at 35 W of discharge power.
This reactor was employed to degrade propranolol, a widely used beta-blocker.

The reactor design by University of Belgrade - Faculty of Physics

Captured by Sladjana Savic, sladjana@chem.bg.ac.rs University of Belgrade - Faculty of Chemistry
AB  - Ovde vidimo netermalni plazma reaktor u atmosferi argona, sa koaksijalnom konfiguracijom i dielektričnim barijernim pražnjenjem, pri 35 V snage pražnjenja. Ovaj reaktor je korišćen za razgradnju propranolola, široko korišćenog beta-blokatora. Dizajn reaktora Univerzitet u Beogradu - Fizički fakultet. Snimila Slađana Savić, sladjana@chem.bg.ac.rs Univerzitet u Beogradu - Hemijski fakultet
T1  - Argon plasma at 35 W in nonthermal plasma reactor - an original DBD reactor
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6470
ER  - 
@misc{
author = "Savić, Slađana D.",
year = "2024",
abstract = "Here we see the nonthermal plasma reactor in argon atmosphere, with coaxial configuration and dielectric barrier discharge, at 35 W of discharge power.
This reactor was employed to degrade propranolol, a widely used beta-blocker.

The reactor design by University of Belgrade - Faculty of Physics

Captured by Sladjana Savic, sladjana@chem.bg.ac.rs University of Belgrade - Faculty of Chemistry, Ovde vidimo netermalni plazma reaktor u atmosferi argona, sa koaksijalnom konfiguracijom i dielektričnim barijernim pražnjenjem, pri 35 V snage pražnjenja. Ovaj reaktor je korišćen za razgradnju propranolola, široko korišćenog beta-blokatora. Dizajn reaktora Univerzitet u Beogradu - Fizički fakultet. Snimila Slađana Savić, sladjana@chem.bg.ac.rs Univerzitet u Beogradu - Hemijski fakultet",
title = "Argon plasma at 35 W in nonthermal plasma reactor - an original DBD reactor",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6470"
}
Savić, S. D.. (2024). Argon plasma at 35 W in nonthermal plasma reactor - an original DBD reactor. .
https://hdl.handle.net/21.15107/rcub_cherry_6470
Savić SD. Argon plasma at 35 W in nonthermal plasma reactor - an original DBD reactor. 2024;.
https://hdl.handle.net/21.15107/rcub_cherry_6470 .
Savić, Slađana D., "Argon plasma at 35 W in nonthermal plasma reactor - an original DBD reactor" (2024),
https://hdl.handle.net/21.15107/rcub_cherry_6470 .

The Thiol Group Reactivity and the Antioxidant Property of Human Serum Albumin Are Controlled by the Joint Action of Fatty Acids and Glucose Binding

Uzelac, Tamara N.; Smiljanić, Katarina; Takić, Marija; Sarac, Ivana; Petovic-Oggiano, Gordana; Nikolić, Milan; Jovanović, Vesna B.

(MDPI, 2024)

TY  - JOUR
AU  - Uzelac, Tamara N.
AU  - Smiljanić, Katarina
AU  - Takić, Marija
AU  - Sarac, Ivana
AU  - Petovic-Oggiano, Gordana
AU  - Nikolić, Milan
AU  - Jovanović, Vesna B.
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6429
AB  - The binding of ubiquitous serum ligands (free fatty acids) to human serum albumin (HSA)
or its glycation can affect thiol group reactivity, thus influencing its antioxidant activity. The effects
of stearic acid (SA) and glucose binding on HSA structural changes and thiol group content and
reactivity were monitored by fluoroscopy and the Ellman method during a 14-day incubation in
molar ratios to HSA that mimic pathophysiological conditions. Upon incubation with 5 mM glucose,
HSA glycation was the same as HSA without it, in three different HSA:SA molar ratios (HSA:SA-
1:1-2-4). The protective effect of SA on the antioxidant property of HSA under different glucose
regimes (5-10-20 mM) was significantly affected by molar ratios of HSA:SA. Thiol reactivity was fully
restored with 5–20 mM glucose at a 1:1 HSA:SA ratio, while the highest thiol content recovery was in
pathological glucose regimes at a 1:1 HSA:SA ratio. The SA affinity for HSA increased significantly
(1.5- and 1.3-fold, p < 0.01) with 5 and 10 mM glucose compared to the control. These results deepen
the knowledge about the possible regulation of the antioxidant role of HSA in diabetes and other
pathophysiological conditions and enable the design of future HSA-drug studies which, in turn, is
important for clinicians when designing information-based treatments.
PB  - MDPI
T2  - International Journal of Molecular Sciences
T1  - The Thiol Group Reactivity and the Antioxidant Property of Human Serum Albumin Are Controlled by the Joint Action of Fatty Acids and Glucose Binding
VL  - 5
SP  - 2335
DO  - 10.3390/ijms25042335
ER  - 
@article{
author = "Uzelac, Tamara N. and Smiljanić, Katarina and Takić, Marija and Sarac, Ivana and Petovic-Oggiano, Gordana and Nikolić, Milan and Jovanović, Vesna B.",
year = "2024",
abstract = "The binding of ubiquitous serum ligands (free fatty acids) to human serum albumin (HSA)
or its glycation can affect thiol group reactivity, thus influencing its antioxidant activity. The effects
of stearic acid (SA) and glucose binding on HSA structural changes and thiol group content and
reactivity were monitored by fluoroscopy and the Ellman method during a 14-day incubation in
molar ratios to HSA that mimic pathophysiological conditions. Upon incubation with 5 mM glucose,
HSA glycation was the same as HSA without it, in three different HSA:SA molar ratios (HSA:SA-
1:1-2-4). The protective effect of SA on the antioxidant property of HSA under different glucose
regimes (5-10-20 mM) was significantly affected by molar ratios of HSA:SA. Thiol reactivity was fully
restored with 5–20 mM glucose at a 1:1 HSA:SA ratio, while the highest thiol content recovery was in
pathological glucose regimes at a 1:1 HSA:SA ratio. The SA affinity for HSA increased significantly
(1.5- and 1.3-fold, p < 0.01) with 5 and 10 mM glucose compared to the control. These results deepen
the knowledge about the possible regulation of the antioxidant role of HSA in diabetes and other
pathophysiological conditions and enable the design of future HSA-drug studies which, in turn, is
important for clinicians when designing information-based treatments.",
publisher = "MDPI",
journal = "International Journal of Molecular Sciences",
title = "The Thiol Group Reactivity and the Antioxidant Property of Human Serum Albumin Are Controlled by the Joint Action of Fatty Acids and Glucose Binding",
volume = "5",
pages = "2335",
doi = "10.3390/ijms25042335"
}
Uzelac, T. N., Smiljanić, K., Takić, M., Sarac, I., Petovic-Oggiano, G., Nikolić, M.,& Jovanović, V. B.. (2024). The Thiol Group Reactivity and the Antioxidant Property of Human Serum Albumin Are Controlled by the Joint Action of Fatty Acids and Glucose Binding. in International Journal of Molecular Sciences
MDPI., 5, 2335.
https://doi.org/10.3390/ijms25042335
Uzelac TN, Smiljanić K, Takić M, Sarac I, Petovic-Oggiano G, Nikolić M, Jovanović VB. The Thiol Group Reactivity and the Antioxidant Property of Human Serum Albumin Are Controlled by the Joint Action of Fatty Acids and Glucose Binding. in International Journal of Molecular Sciences. 2024;5:2335.
doi:10.3390/ijms25042335 .
Uzelac, Tamara N., Smiljanić, Katarina, Takić, Marija, Sarac, Ivana, Petovic-Oggiano, Gordana, Nikolić, Milan, Jovanović, Vesna B., "The Thiol Group Reactivity and the Antioxidant Property of Human Serum Albumin Are Controlled by the Joint Action of Fatty Acids and Glucose Binding" in International Journal of Molecular Sciences, 5 (2024):2335,
https://doi.org/10.3390/ijms25042335 . .

Research data no. 2 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties

Gligorijević, Nikola; Lujić, Tamara; Mutić, Tamara; Vasović, Tamara; Aćimović, Jelena; de Guzman, Maria Krishna; Stanić-Vučinić, Dragana; Ćirković-Veličković, Tanja

(2024)

TY  - DATA
AU  - Gligorijević, Nikola
AU  - Lujić, Tamara
AU  - Mutić, Tamara
AU  - Vasović, Tamara
AU  - Aćimović, Jelena
AU  - de Guzman, Maria Krishna
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković-Veličković, Tanja
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6469
AB  - Research data for the unpublished paper: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties. Densitometry analysis of ovalbumin band intensity after digestion in the presence of microplastics on SDS-PAGE gels.
T1  - Research data no. 2 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6469
ER  - 
@misc{
author = "Gligorijević, Nikola and Lujić, Tamara and Mutić, Tamara and Vasović, Tamara and Aćimović, Jelena and de Guzman, Maria Krishna and Stanić-Vučinić, Dragana and Ćirković-Veličković, Tanja",
year = "2024",
abstract = "Research data for the unpublished paper: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties. Densitometry analysis of ovalbumin band intensity after digestion in the presence of microplastics on SDS-PAGE gels.",
title = "Research data no. 2 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6469"
}
Gligorijević, N., Lujić, T., Mutić, T., Vasović, T., Aćimović, J., de Guzman, M. K., Stanić-Vučinić, D.,& Ćirković-Veličković, T.. (2024). Research data no. 2 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties. .
https://hdl.handle.net/21.15107/rcub_cherry_6469
Gligorijević N, Lujić T, Mutić T, Vasović T, Aćimović J, de Guzman MK, Stanić-Vučinić D, Ćirković-Veličković T. Research data no. 2 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties. 2024;.
https://hdl.handle.net/21.15107/rcub_cherry_6469 .
Gligorijević, Nikola, Lujić, Tamara, Mutić, Tamara, Vasović, Tamara, Aćimović, Jelena, de Guzman, Maria Krishna, Stanić-Vučinić, Dragana, Ćirković-Veličković, Tanja, "Research data no. 2 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties" (2024),
https://hdl.handle.net/21.15107/rcub_cherry_6469 .

Research data no. 1 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties

Gligorijević, Nikola; Lujić, Tamara; Mutić, Tamara; Vasović, Tamara; de Guzman, Maria Krishna; Aćimović, Jelena; Stanić-Vučinić, Dragana; Ćirković-Veličković, Tanja

(2024)

TY  - DATA
AU  - Gligorijević, Nikola
AU  - Lujić, Tamara
AU  - Mutić, Tamara
AU  - Vasović, Tamara
AU  - de Guzman, Maria Krishna
AU  - Aćimović, Jelena
AU  - Stanić-Vučinić, Dragana
AU  - Ćirković-Veličković, Tanja
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6465
AB  - Data used for the analysis of pepsin interaction with polystyrene microplastic of 10 and 100 µm in size. Binding isotherms data were used for the construction of binding isotherms from which binding between pepsin and polystyrene microplastic was described. Structural features of pepsin in the presence of polystyrene were analysed by CD spectrometry and spectrofluorimetry.
T1  - Research data no. 1 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6465
ER  - 
@misc{
author = "Gligorijević, Nikola and Lujić, Tamara and Mutić, Tamara and Vasović, Tamara and de Guzman, Maria Krishna and Aćimović, Jelena and Stanić-Vučinić, Dragana and Ćirković-Veličković, Tanja",
year = "2024",
abstract = "Data used for the analysis of pepsin interaction with polystyrene microplastic of 10 and 100 µm in size. Binding isotherms data were used for the construction of binding isotherms from which binding between pepsin and polystyrene microplastic was described. Structural features of pepsin in the presence of polystyrene were analysed by CD spectrometry and spectrofluorimetry.",
title = "Research data no. 1 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6465"
}
Gligorijević, N., Lujić, T., Mutić, T., Vasović, T., de Guzman, M. K., Aćimović, J., Stanić-Vučinić, D.,& Ćirković-Veličković, T.. (2024). Research data no. 1 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties. .
https://hdl.handle.net/21.15107/rcub_cherry_6465
Gligorijević N, Lujić T, Mutić T, Vasović T, de Guzman MK, Aćimović J, Stanić-Vučinić D, Ćirković-Veličković T. Research data no. 1 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties. 2024;.
https://hdl.handle.net/21.15107/rcub_cherry_6465 .
Gligorijević, Nikola, Lujić, Tamara, Mutić, Tamara, Vasović, Tamara, de Guzman, Maria Krishna, Aćimović, Jelena, Stanić-Vučinić, Dragana, Ćirković-Veličković, Tanja, "Research data no. 1 for the manuscript: Ovalbumin interaction with polystyrene and polyethylene terephthalate microplastics alters its structural properties" (2024),
https://hdl.handle.net/21.15107/rcub_cherry_6465 .

Research data for: Khulal, U., Đukić, T., Smiljanić, K., Vasović, T., Aćimović, J., Rajković, A.,& Ćirković-Veličković, T.. (2024). Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods Elsevier., 113, 106052. https://doi.org/10.1016/j.jff.2024.106052

Smiljanić, Katarina

(Univerzitet u Beogradu - Hemijski fakultet, 2024)

TY  - DATA
AU  - Smiljanić, Katarina
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6462
AB  - This research dataset encompasess the post-translational and protein modificatrion profiles of raw and roasted shrimpts done with tandem mass spectroscopy (Orbitrap Exploris 240) and processed with PEAKS X pro Studio, with its PTM engine. From these level of results (PEAKS PTM) an ptm profiling was extracted and presented here. An .rar file was created containing ptm profile of raw shirmp and prtm profile of the roasted shrimp in an excel format.
PB  - Univerzitet u Beogradu - Hemijski fakultet
T2  - Journal of Functional Foods
T1  - Research data for: Khulal, U., Đukić, T., Smiljanić, K., Vasović, T., Aćimović, J., Rajković, A.,& Ćirković-Veličković, T.. (2024). Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods Elsevier., 113, 106052. https://doi.org/10.1016/j.jff.2024.106052
VL  - 113
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6462
ER  - 
@misc{
author = "Smiljanić, Katarina",
year = "2024",
abstract = "This research dataset encompasess the post-translational and protein modificatrion profiles of raw and roasted shrimpts done with tandem mass spectroscopy (Orbitrap Exploris 240) and processed with PEAKS X pro Studio, with its PTM engine. From these level of results (PEAKS PTM) an ptm profiling was extracted and presented here. An .rar file was created containing ptm profile of raw shirmp and prtm profile of the roasted shrimp in an excel format.",
publisher = "Univerzitet u Beogradu - Hemijski fakultet",
journal = "Journal of Functional Foods",
title = "Research data for: Khulal, U., Đukić, T., Smiljanić, K., Vasović, T., Aćimović, J., Rajković, A.,& Ćirković-Veličković, T.. (2024). Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods Elsevier., 113, 106052. https://doi.org/10.1016/j.jff.2024.106052",
volume = "113",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6462"
}
Smiljanić, K.. (2024). Research data for: Khulal, U., Đukić, T., Smiljanić, K., Vasović, T., Aćimović, J., Rajković, A.,& Ćirković-Veličković, T.. (2024). Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods Elsevier., 113, 106052. https://doi.org/10.1016/j.jff.2024.106052. in Journal of Functional Foods
Univerzitet u Beogradu - Hemijski fakultet., 113.
https://hdl.handle.net/21.15107/rcub_cherry_6462
Smiljanić K. Research data for: Khulal, U., Đukić, T., Smiljanić, K., Vasović, T., Aćimović, J., Rajković, A.,& Ćirković-Veličković, T.. (2024). Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods Elsevier., 113, 106052. https://doi.org/10.1016/j.jff.2024.106052. in Journal of Functional Foods. 2024;113.
https://hdl.handle.net/21.15107/rcub_cherry_6462 .
Smiljanić, Katarina, "Research data for: Khulal, U., Đukić, T., Smiljanić, K., Vasović, T., Aćimović, J., Rajković, A.,& Ćirković-Veličković, T.. (2024). Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods Elsevier., 113, 106052. https://doi.org/10.1016/j.jff.2024.106052" in Journal of Functional Foods, 113 (2024),
https://hdl.handle.net/21.15107/rcub_cherry_6462 .

Protein modifications screening of raw and thermally treated meat gastrointestinal digesta

Khulal, Urmila; Đukić, Teodora; Smiljanić, Katarina; Vasović, Tamara; Aćimović, Jelena; Rajković, Andreja; Ćirković-Veličković, Tanja

(Elsevier, 2024)

TY  - JOUR
AU  - Khulal, Urmila
AU  - Đukić, Teodora
AU  - Smiljanić, Katarina
AU  - Vasović, Tamara
AU  - Aćimović, Jelena
AU  - Rajković, Andreja
AU  - Ćirković-Veličković, Tanja
PY  - 2024
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6437
AB  - Meat samples were subjected to thermal processing combined with simulated INFOGEST in vitro gastrointestinal (GI) digestion. Protein modifications (PMs) were screened with commercially available PM-specific antibodies. Specific proteins at 20, 37, 50, and 65 kDa react to more than 3 PM-specific antibodies among meat proteins. Lysine methylation and methionine oxidation were the most prominent PMs in WB. Mass spectrometry confirmed bands at ≈20 kDa as allergenic proteins: sarcoplasmic calcium-binding protein in oyster, 37 kDa as tropomyosin in shrimp, oyster, and abalone. MS-identified PMs of shellfish allergens were aligned to the IgE binding epitopes. GI digestion-resistant peptides of shellfish proteins were identified as paramyosins in oyster and abalone and SBP in shrimp. Our results point to the high susceptibility of immunodominant epitopes of major shellfish allergens to PMs. In TPM, saturation of oxidative modification increases with thermal processing resulting in higher susceptibility of TPM to gastric digestion.
PB  - Elsevier
T2  - Journal of Functional Foods
T1  - Protein modifications screening of raw and thermally treated meat gastrointestinal digesta
VL  - 113
SP  - 106052
DO  - 10.1016/j.jff.2024.106052
ER  - 
@article{
author = "Khulal, Urmila and Đukić, Teodora and Smiljanić, Katarina and Vasović, Tamara and Aćimović, Jelena and Rajković, Andreja and Ćirković-Veličković, Tanja",
year = "2024",
abstract = "Meat samples were subjected to thermal processing combined with simulated INFOGEST in vitro gastrointestinal (GI) digestion. Protein modifications (PMs) were screened with commercially available PM-specific antibodies. Specific proteins at 20, 37, 50, and 65 kDa react to more than 3 PM-specific antibodies among meat proteins. Lysine methylation and methionine oxidation were the most prominent PMs in WB. Mass spectrometry confirmed bands at ≈20 kDa as allergenic proteins: sarcoplasmic calcium-binding protein in oyster, 37 kDa as tropomyosin in shrimp, oyster, and abalone. MS-identified PMs of shellfish allergens were aligned to the IgE binding epitopes. GI digestion-resistant peptides of shellfish proteins were identified as paramyosins in oyster and abalone and SBP in shrimp. Our results point to the high susceptibility of immunodominant epitopes of major shellfish allergens to PMs. In TPM, saturation of oxidative modification increases with thermal processing resulting in higher susceptibility of TPM to gastric digestion.",
publisher = "Elsevier",
journal = "Journal of Functional Foods",
title = "Protein modifications screening of raw and thermally treated meat gastrointestinal digesta",
volume = "113",
pages = "106052",
doi = "10.1016/j.jff.2024.106052"
}
Khulal, U., Đukić, T., Smiljanić, K., Vasović, T., Aćimović, J., Rajković, A.,& Ćirković-Veličković, T.. (2024). Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods
Elsevier., 113, 106052.
https://doi.org/10.1016/j.jff.2024.106052
Khulal U, Đukić T, Smiljanić K, Vasović T, Aćimović J, Rajković A, Ćirković-Veličković T. Protein modifications screening of raw and thermally treated meat gastrointestinal digesta. in Journal of Functional Foods. 2024;113:106052.
doi:10.1016/j.jff.2024.106052 .
Khulal, Urmila, Đukić, Teodora, Smiljanić, Katarina, Vasović, Tamara, Aćimović, Jelena, Rajković, Andreja, Ćirković-Veličković, Tanja, "Protein modifications screening of raw and thermally treated meat gastrointestinal digesta" in Journal of Functional Foods, 113 (2024):106052,
https://doi.org/10.1016/j.jff.2024.106052 . .