TY  - JOUR
AU  - Ljujić, Jovana
AU  - Vujisić, Ljubodrag
AU  - Tešević, Vele
AU  - Sofrenić, Ivana V.
AU  - Ivanović, Stefan
AU  - Simić, Katarina
AU  - Anđelković, Boban
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7574
AB  - Data processing and data extraction are the first, and most often crucial, steps in metabolomics and multivariate data analysis in general. There are several software solutions for these purposes in GC-MS metabolomics. It becomes unclear which platform offers what kind of data and how that information influences the analysis’s conclusions. In this study, selected analytical platforms for GC-MS metabolomics profiling, SpectConnect and XCMS as well as MestReNova software, were used to process the results of the HS-SPME/GC-MS aroma analyses of several blackberry varieties. In addition, a detailed analysis of the identification of the individual components of the blackberry aroma club varieties was performed. In total, 72 components were detected in the XCMS platform, 119 in SpectConnect, and 87 and 167 in MestReNova, with automatic integral and manual correction, respectively, as well as 219 aroma components after manual analysis of GC-MS chromatograms. The obtained datasets were fed, for multivariate data analysis, to SIMCA software, and underwent the creation of PCA, OPLS, and OPLS-DA models. The results of the validation tests and VIP-pred. scores were analyzed in detail.
PB  - MDPI
T2  - Foods
T1  - Critical Review of Selected Analytical Platforms for GC-MS Metabolomics Profiling—Case Study: HS-SPME/GC-MS Analysis of Blackberry’s Aroma
VL  - 13
IS  - 8
SP  - 1222
DO  - 10.3390/foods13081222
ER  - 

@article{
author = "Ljujić, Jovana and Vujisić, Ljubodrag and Tešević, Vele and Sofrenić, Ivana V. and Ivanović, Stefan and Simić, Katarina and Anđelković, Boban",
year = "2024",
abstract = "Data processing and data extraction are the first, and most often crucial, steps in metabolomics and multivariate data analysis in general. There are several software solutions for these purposes in GC-MS metabolomics. It becomes unclear which platform offers what kind of data and how that information influences the analysis’s conclusions. In this study, selected analytical platforms for GC-MS metabolomics profiling, SpectConnect and XCMS as well as MestReNova software, were used to process the results of the HS-SPME/GC-MS aroma analyses of several blackberry varieties. In addition, a detailed analysis of the identification of the individual components of the blackberry aroma club varieties was performed. In total, 72 components were detected in the XCMS platform, 119 in SpectConnect, and 87 and 167 in MestReNova, with automatic integral and manual correction, respectively, as well as 219 aroma components after manual analysis of GC-MS chromatograms. The obtained datasets were fed, for multivariate data analysis, to SIMCA software, and underwent the creation of PCA, OPLS, and OPLS-DA models. The results of the validation tests and VIP-pred. scores were analyzed in detail.",
publisher = "MDPI",
journal = "Foods",
title = "Critical Review of Selected Analytical Platforms for GC-MS Metabolomics Profiling—Case Study: HS-SPME/GC-MS Analysis of Blackberry’s Aroma",
volume = "13",
number = "8",
pages = "1222",
doi = "10.3390/foods13081222"
}

Ljujić, J., Vujisić, L., Tešević, V., Sofrenić, I. V., Ivanović, S., Simić, K.,& Anđelković, B.. (2024). Critical Review of Selected Analytical Platforms for GC-MS Metabolomics Profiling—Case Study: HS-SPME/GC-MS Analysis of Blackberry’s Aroma. in Foods
MDPI., 13(8), 1222.
https://doi.org/10.3390/foods13081222

Ljujić J, Vujisić L, Tešević V, Sofrenić IV, Ivanović S, Simić K, Anđelković B. Critical Review of Selected Analytical Platforms for GC-MS Metabolomics Profiling—Case Study: HS-SPME/GC-MS Analysis of Blackberry’s Aroma. in Foods. 2024;13(8):1222.
doi:10.3390/foods13081222 .

Ljujić, Jovana, Vujisić, Ljubodrag, Tešević, Vele, Sofrenić, Ivana V., Ivanović, Stefan, Simić, Katarina, Anđelković, Boban, "Critical Review of Selected Analytical Platforms for GC-MS Metabolomics Profiling—Case Study: HS-SPME/GC-MS Analysis of Blackberry’s Aroma" in Foods, 13, no. 8 (2024):1222,
https://doi.org/10.3390/foods13081222 . .

TY  - JOUR
AU  - Novaković, Miroslav
AU  - Ilić-Tomić, Tatjana
AU  - Đorđević, Iris
AU  - Anđelković, Boban D.
AU  - Tešević, Vele
AU  - Milosavljević, Slobodan
AU  - Asakawa, Yoshinori
PY  - 2023
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7188
AB  - Bisbibenzyls are specialized metabolites found exclusively in liverworts, until recently; they represent chemical markers of liverworts. Their occurrence in vascular plants was noticed in 2007, when they were found in Primula veris subsp. macrocalyx from Russia. This report prompted us to chemically analyze the two most common Serbian Primula species, P. veris subsp. columnae and P. acaulis, in order to determine the presence of bisbibenzyls in them. Our study revealed nine structurally distinct bisbibenzyls (1–9), identified based on 1D and 2D NMR, IR, UV and HRESIMS data. Among them were five previously undescribed compounds (2–6). The remaining com­ pounds found and previously described in the literature were: the bisbibenzyls riccardin C (1), isoperrottetin A (7), isoplagiochin E (8) and 11-O-demethylmarchantin I (9), as well as 4-hydroxyphenylmethylketone (10) and 4-hydroxy-3-methoxyphenylmethylketone (11). Riccardin C was the most dominant bisbibenzyl in both species studied. Previously, it was the first bisbibenzyl found in vascular plants (P. veris subsp. macrocalyx). An assessment of the cytotoxic activity of the isolated compounds against A549 lung cancer and healthy MRC5 cell lines was also the subject of our study. Compounds 6 and 9 exhibited significant cytotoxic activity expressed by IC50 values of 12 μM, but the selectivity was not satisfactory.
PB  - Elsevier
T2  - Phytochemistry
T1  - Bisbibenzyls from Serbian Primula veris subsp. Columnae (Ten.) Lȕdi and P. acaulis (L.) L
VL  - 212
SP  - 113719
DO  - 10.1016/j.phytochem.2023.113719
ER  - 

@article{
author = "Novaković, Miroslav and Ilić-Tomić, Tatjana and Đorđević, Iris and Anđelković, Boban D. and Tešević, Vele and Milosavljević, Slobodan and Asakawa, Yoshinori",
year = "2023, 2023",
abstract = "Bisbibenzyls are specialized metabolites found exclusively in liverworts, until recently; they represent chemical markers of liverworts. Their occurrence in vascular plants was noticed in 2007, when they were found in Primula veris subsp. macrocalyx from Russia. This report prompted us to chemically analyze the two most common Serbian Primula species, P. veris subsp. columnae and P. acaulis, in order to determine the presence of bisbibenzyls in them. Our study revealed nine structurally distinct bisbibenzyls (1–9), identified based on 1D and 2D NMR, IR, UV and HRESIMS data. Among them were five previously undescribed compounds (2–6). The remaining com­ pounds found and previously described in the literature were: the bisbibenzyls riccardin C (1), isoperrottetin A (7), isoplagiochin E (8) and 11-O-demethylmarchantin I (9), as well as 4-hydroxyphenylmethylketone (10) and 4-hydroxy-3-methoxyphenylmethylketone (11). Riccardin C was the most dominant bisbibenzyl in both species studied. Previously, it was the first bisbibenzyl found in vascular plants (P. veris subsp. macrocalyx). An assessment of the cytotoxic activity of the isolated compounds against A549 lung cancer and healthy MRC5 cell lines was also the subject of our study. Compounds 6 and 9 exhibited significant cytotoxic activity expressed by IC50 values of 12 μM, but the selectivity was not satisfactory.",
publisher = "Elsevier",
journal = "Phytochemistry",
title = "Bisbibenzyls from Serbian Primula veris subsp. Columnae (Ten.) Lȕdi and P. acaulis (L.) L",
volume = "212",
pages = "113719",
doi = "10.1016/j.phytochem.2023.113719"
}

Novaković, M., Ilić-Tomić, T., Đorđević, I., Anđelković, B. D., Tešević, V., Milosavljević, S.,& Asakawa, Y.. (2023). Bisbibenzyls from Serbian Primula veris subsp. Columnae (Ten.) Lȕdi and P. acaulis (L.) L. in Phytochemistry
Elsevier., 212, 113719.
https://doi.org/10.1016/j.phytochem.2023.113719

Novaković M, Ilić-Tomić T, Đorđević I, Anđelković BD, Tešević V, Milosavljević S, Asakawa Y. Bisbibenzyls from Serbian Primula veris subsp. Columnae (Ten.) Lȕdi and P. acaulis (L.) L. in Phytochemistry. 2023;212:113719.
doi:10.1016/j.phytochem.2023.113719 .

Novaković, Miroslav, Ilić-Tomić, Tatjana, Đorđević, Iris, Anđelković, Boban D., Tešević, Vele, Milosavljević, Slobodan, Asakawa, Yoshinori, "Bisbibenzyls from Serbian Primula veris subsp. Columnae (Ten.) Lȕdi and P. acaulis (L.) L" in Phytochemistry, 212 (2023):113719,
https://doi.org/10.1016/j.phytochem.2023.113719 . .