Simić, Katarina

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orcid::0000-0001-5060-8936
  • Simić, Katarina (4)
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Author's Bibliography

GC-FID-MS based metabolomics to access plum brandy quality

Ivanović, Stefan; Simić, Katarina; Tešević, Vele; Vujisić, Ljubodrag; Ljekočević, Marko; Gođevac, Dejan

(MDPI, 2021)

TY  - JOUR
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Tešević, Vele
AU  - Vujisić, Ljubodrag
AU  - Ljekočević, Marko
AU  - Gođevac, Dejan
PY  - 2021
UR  - https://www.mdpi.com/1420-3049/26/5/1391
AB  - Plum brandy (Slivovitz (en); Šljivovica(sr)) is an alcoholic beverage that is increasingly consumed all over the world. Its quality assessment has become of great importance. In our study, the main volatiles and aroma compounds of 108 non-aged plum brandies originating from three plum cultivars, and fermented using different conditions, were investigated. The chemical profiles obtained after two-step GC-FID-MS analysis were subjected to multivariate data analysis to reveal the peculiarity in different cultivars and fermentation process. Correlation of plum brandy chemical composition with its sensory characteristics obtained by expert commission was also performed. The utilization of PCA and OPLS-DA multivariate analysis methods on GC-FID-MS, enabled discrimination of brandy samples based on differences in plum varieties, pH of plum mash, and addition of selected yeast or enzymes during fermentation. The correlation of brandy GC-FID-MS profiles with their sensory properties was achieved by OPLS multivariate analysis. Proposed workflow confirmed the potential of GC-FID-MS in combination with multivariate data analysis that can be applied to assess the plum brandy quality.
PB  - MDPI
T2  - Molecules
T2  - Molecules
T1  - GC-FID-MS based metabolomics to access plum brandy quality
VL  - 26
IS  - 5
SP  - 1391
DO  - 10.3390/molecules26051391
ER  - 
@article{
author = "Ivanović, Stefan and Simić, Katarina and Tešević, Vele and Vujisić, Ljubodrag and Ljekočević, Marko and Gođevac, Dejan",
year = "2021",
abstract = "Plum brandy (Slivovitz (en); Šljivovica(sr)) is an alcoholic beverage that is increasingly consumed all over the world. Its quality assessment has become of great importance. In our study, the main volatiles and aroma compounds of 108 non-aged plum brandies originating from three plum cultivars, and fermented using different conditions, were investigated. The chemical profiles obtained after two-step GC-FID-MS analysis were subjected to multivariate data analysis to reveal the peculiarity in different cultivars and fermentation process. Correlation of plum brandy chemical composition with its sensory characteristics obtained by expert commission was also performed. The utilization of PCA and OPLS-DA multivariate analysis methods on GC-FID-MS, enabled discrimination of brandy samples based on differences in plum varieties, pH of plum mash, and addition of selected yeast or enzymes during fermentation. The correlation of brandy GC-FID-MS profiles with their sensory properties was achieved by OPLS multivariate analysis. Proposed workflow confirmed the potential of GC-FID-MS in combination with multivariate data analysis that can be applied to assess the plum brandy quality.",
publisher = "MDPI",
journal = "Molecules, Molecules",
title = "GC-FID-MS based metabolomics to access plum brandy quality",
volume = "26",
number = "5",
pages = "1391",
doi = "10.3390/molecules26051391"
}
Ivanović, S., Simić, K., Tešević, V., Vujisić, L., Ljekočević, M.,& Gođevac, D.. (2021). GC-FID-MS based metabolomics to access plum brandy quality. in Molecules
MDPI., 26(5), 1391.
https://doi.org/10.3390/molecules26051391
Ivanović S, Simić K, Tešević V, Vujisić L, Ljekočević M, Gođevac D. GC-FID-MS based metabolomics to access plum brandy quality. in Molecules. 2021;26(5):1391.
doi:10.3390/molecules26051391 .
Ivanović, Stefan, Simić, Katarina, Tešević, Vele, Vujisić, Ljubodrag, Ljekočević, Marko, Gođevac, Dejan, "GC-FID-MS based metabolomics to access plum brandy quality" in Molecules, 26, no. 5 (2021):1391,
https://doi.org/10.3390/molecules26051391 . .

Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.

Ivanović, Stefan; Simić, Katarina; Tešević, Vele; Vujisić, Ljubodrag; Ljekočević, Marko; Gođevac, Dejan

(MDPI, 2021)

TY  - DATA
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Tešević, Vele
AU  - Vujisić, Ljubodrag
AU  - Ljekočević, Marko
AU  - Gođevac, Dejan
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4513
PB  - MDPI
T2  - Molecules
T1  - Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.
ER  - 
@misc{
author = "Ivanović, Stefan and Simić, Katarina and Tešević, Vele and Vujisić, Ljubodrag and Ljekočević, Marko and Gođevac, Dejan",
year = "2021",
publisher = "MDPI",
journal = "Molecules",
title = "Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391."
}
Ivanović, S., Simić, K., Tešević, V., Vujisić, L., Ljekočević, M.,& Gođevac, D.. (2021). Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.. in Molecules
MDPI..
Ivanović S, Simić K, Tešević V, Vujisić L, Ljekočević M, Gođevac D. Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391.. in Molecules. 2021;..
Ivanović, Stefan, Simić, Katarina, Tešević, Vele, Vujisić, Ljubodrag, Ljekočević, Marko, Gođevac, Dejan, "Supplementary data for the article: Ivanović, S.; Simić, K.; Tešević, V.; Vujisić, L.; Ljekočević, M.; Gođevac, D. GC-FID-MS Based Metabolomics to Access Plum Brandy Quality. Molecules 2021, 26 (5), 1391. https://doi.org/10.3390/molecules26051391." in Molecules (2021).

Bisaurones – enzymatic production and biological evaluation

Novaković, Miroslav M.; Ilić-Tomić, Tatjana; Tešević, Vele; Simić, Katarina; Ivanović, Stefan; Simić, Stefan; Opsenica, Igor; Nikodinović-Runić, Jasmina

(Royal Society of Chemistry, 2020)

TY  - JOUR
AU  - Novaković, Miroslav M.
AU  - Ilić-Tomić, Tatjana
AU  - Tešević, Vele
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Simić, Stefan
AU  - Opsenica, Igor
AU  - Nikodinović-Runić, Jasmina
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4052
AB  - The Trametes versicolor laccase catalyzed oxidation of chalcone butein afforded four dimers of aurone sulfuretin (i.e. two regioisomeric pairs of diasteromers, 1-4) as the major products. The formation of the dimers was explained by a two step process involving the initial cyclization of butein into aurone sulfuretin, followed by the combination of two molecules of sulfuretin. The coupling process occurred between the 2,10-double bond of one molecule of sulfuretin and the (3′,4′) catechol group of the other to yield a dimeric structure. This was confirmed by the experiment involving the laccase catalyzed oxidation of sulfuretin yielding the same dimeric bisaurones. Compounds 1, 3 and 4, were isolated using semipreparative HPLC and characterized by the detailed analysis of the NMR, MS, IR, and UV-vis data. The structure of compound 2, isolated as a mixture containing ca. 25% of compound 1, was proposed by the comparison of 1H NMR data to compound 1 and by using LC-ESIMS analysis. The starting chalcone butein and the products of the biocatalytic transformation, aurone sulfuretin and sulfuretin dimers 1, 3 and 4, were evaluated for their cytotoxic and antioxidative properties in vitro using a healthy human fibroblast (MRC5) cell line. The biotransformation products showed lower cytotoxicity but higher antioxidative properties. The C. coggygria bark methanol extract rich in butein and sulfuretin was also biotransformed by laccase. The transformed extract exhibited significantly improved antioxidative activities.
PB  - Royal Society of Chemistry
T2  - New Journal of Chemistry
T1  - Bisaurones – enzymatic production and biological evaluation
VL  - 44
IS  - 23
SP  - 9647
EP  - 9655
DO  - 10.1039/d0nj00758g
ER  - 
@article{
author = "Novaković, Miroslav M. and Ilić-Tomić, Tatjana and Tešević, Vele and Simić, Katarina and Ivanović, Stefan and Simić, Stefan and Opsenica, Igor and Nikodinović-Runić, Jasmina",
year = "2020",
abstract = "The Trametes versicolor laccase catalyzed oxidation of chalcone butein afforded four dimers of aurone sulfuretin (i.e. two regioisomeric pairs of diasteromers, 1-4) as the major products. The formation of the dimers was explained by a two step process involving the initial cyclization of butein into aurone sulfuretin, followed by the combination of two molecules of sulfuretin. The coupling process occurred between the 2,10-double bond of one molecule of sulfuretin and the (3′,4′) catechol group of the other to yield a dimeric structure. This was confirmed by the experiment involving the laccase catalyzed oxidation of sulfuretin yielding the same dimeric bisaurones. Compounds 1, 3 and 4, were isolated using semipreparative HPLC and characterized by the detailed analysis of the NMR, MS, IR, and UV-vis data. The structure of compound 2, isolated as a mixture containing ca. 25% of compound 1, was proposed by the comparison of 1H NMR data to compound 1 and by using LC-ESIMS analysis. The starting chalcone butein and the products of the biocatalytic transformation, aurone sulfuretin and sulfuretin dimers 1, 3 and 4, were evaluated for their cytotoxic and antioxidative properties in vitro using a healthy human fibroblast (MRC5) cell line. The biotransformation products showed lower cytotoxicity but higher antioxidative properties. The C. coggygria bark methanol extract rich in butein and sulfuretin was also biotransformed by laccase. The transformed extract exhibited significantly improved antioxidative activities.",
publisher = "Royal Society of Chemistry",
journal = "New Journal of Chemistry",
title = "Bisaurones – enzymatic production and biological evaluation",
volume = "44",
number = "23",
pages = "9647-9655",
doi = "10.1039/d0nj00758g"
}
Novaković, M. M., Ilić-Tomić, T., Tešević, V., Simić, K., Ivanović, S., Simić, S., Opsenica, I.,& Nikodinović-Runić, J.. (2020). Bisaurones – enzymatic production and biological evaluation. in New Journal of Chemistry
Royal Society of Chemistry., 44(23), 9647-9655.
https://doi.org/10.1039/d0nj00758g
Novaković MM, Ilić-Tomić T, Tešević V, Simić K, Ivanović S, Simić S, Opsenica I, Nikodinović-Runić J. Bisaurones – enzymatic production and biological evaluation. in New Journal of Chemistry. 2020;44(23):9647-9655.
doi:10.1039/d0nj00758g .
Novaković, Miroslav M., Ilić-Tomić, Tatjana, Tešević, Vele, Simić, Katarina, Ivanović, Stefan, Simić, Stefan, Opsenica, Igor, Nikodinović-Runić, Jasmina, "Bisaurones – enzymatic production and biological evaluation" in New Journal of Chemistry, 44, no. 23 (2020):9647-9655,
https://doi.org/10.1039/d0nj00758g . .

Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G

Novaković, Miroslav M.; Ilić-Tomić, Tatjana; Tešević, Vele; Simić, Katarina; Ivanović, Stefan; Simić, Stefan; Opsenica, Igor; Nikodinović-Runić, Jasmina

(Royal Society of Chemistry, 2020)

TY  - DATA
AU  - Novaković, Miroslav M.
AU  - Ilić-Tomić, Tatjana
AU  - Tešević, Vele
AU  - Simić, Katarina
AU  - Ivanović, Stefan
AU  - Simić, Stefan
AU  - Opsenica, Igor
AU  - Nikodinović-Runić, Jasmina
PY  - 2020
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/4078
PB  - Royal Society of Chemistry
T2  - New Journal of Chemistry
T1  - Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G
ER  - 
@misc{
author = "Novaković, Miroslav M. and Ilić-Tomić, Tatjana and Tešević, Vele and Simić, Katarina and Ivanović, Stefan and Simić, Stefan and Opsenica, Igor and Nikodinović-Runić, Jasmina",
year = "2020",
publisher = "Royal Society of Chemistry",
journal = "New Journal of Chemistry",
title = "Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G"
}
Novaković, M. M., Ilić-Tomić, T., Tešević, V., Simić, K., Ivanović, S., Simić, S., Opsenica, I.,& Nikodinović-Runić, J.. (2020). Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G. in New Journal of Chemistry
Royal Society of Chemistry..
Novaković MM, Ilić-Tomić T, Tešević V, Simić K, Ivanović S, Simić S, Opsenica I, Nikodinović-Runić J. Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G. in New Journal of Chemistry. 2020;..
Novaković, Miroslav M., Ilić-Tomić, Tatjana, Tešević, Vele, Simić, Katarina, Ivanović, Stefan, Simić, Stefan, Opsenica, Igor, Nikodinović-Runić, Jasmina, "Supplementary data for the article: Novakovic, M.; Ilic-Tomic, T.; Tesevic, V.; Simic, K.; Ivanovic, S.; Simic, S.; Opsenica, I.; Nikodinovic-Runic, J. Bisaurones – Enzymatic Production and Biological Evaluation. New J. Chem. 2020, 44 (23), 9647–9655. https://doi.org/10.1039/D0NJ00758G" in New Journal of Chemistry (2020).