Chemical characterization of marrubium vulgare volatiles from Serbia
Autori
Aćimović, Milica G.
Ivanović, Stefan

Simić, Katarina

Pezo, Lato

Zeremski, Tijana

Ovuka, Jelena S.

Sikora, Vladimir Š.

Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Marrubium vulgare is a cosmopolitan medicinal plant from the Lamiaceae family, which produces structurally highly diverse groups of secondary metabolites. A total of 160 compounds were determined in the volatiles from Serbia during two investigated years (2019 and 2020). The main components were E-caryophyllene, followed by germacrene D, α-humulene and α-copaene. All these compounds are from sesquiterpene hydrocarbons class which was dominant in both investigated years. This variation in volatiles composition could be a consequence of weather conditions, as in the case of other aromatic plants. According to the unrooted cluster tree with 37 samples of Marrubium sp. volatiles from literature and average values from this study, it could be said that there are several chemotypes: E-caryophyllene, β-bisabolene, α-pinene, β-farnesene, E-caryophyllene + caryophyllene oxide chemotype, and diverse (unclassified) chemotypes. However, occurring polymorphism could be consequence of adaptation to ...grow in different environment, especially ecological conditions such as humidity, temperature and altitude, as well as hybridization strongly affected the chemotypes. In addition, this paper aimed to obtain validated models for prediction of retention indices (RIs) of compounds isolated from M. vulgare volatiles. A total of 160 experimentally obtained RIs of volatile compounds was used to build the prediction models. The coefficients of determination were 0.956 and 0.964, demonstrating that these models could be used for predicting RIs, due to low prediction error and high r2 .
Ključne reči:
Boosted trees regression model / GC–MS / Horehound / QSRR / Retention indices / Marrubium vulgareIzvor:
Plants, 2021, 10, 3, 600-Izdavač:
- MDPI
Finansiranje / projekti:
DOI: 10.3390/plants10030600
ISSN: 2223-7747
PubMed: 33806732
WoS: 000634067800001
Scopus: 2-s2.0-85102885295
Institucija/grupa
IHTMTY - JOUR AU - Aćimović, Milica G. AU - Ivanović, Stefan AU - Simić, Katarina AU - Pezo, Lato AU - Zeremski, Tijana AU - Ovuka, Jelena S. AU - Sikora, Vladimir Š. PY - 2021 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/4601 AB - Marrubium vulgare is a cosmopolitan medicinal plant from the Lamiaceae family, which produces structurally highly diverse groups of secondary metabolites. A total of 160 compounds were determined in the volatiles from Serbia during two investigated years (2019 and 2020). The main components were E-caryophyllene, followed by germacrene D, α-humulene and α-copaene. All these compounds are from sesquiterpene hydrocarbons class which was dominant in both investigated years. This variation in volatiles composition could be a consequence of weather conditions, as in the case of other aromatic plants. According to the unrooted cluster tree with 37 samples of Marrubium sp. volatiles from literature and average values from this study, it could be said that there are several chemotypes: E-caryophyllene, β-bisabolene, α-pinene, β-farnesene, E-caryophyllene + caryophyllene oxide chemotype, and diverse (unclassified) chemotypes. However, occurring polymorphism could be consequence of adaptation to grow in different environment, especially ecological conditions such as humidity, temperature and altitude, as well as hybridization strongly affected the chemotypes. In addition, this paper aimed to obtain validated models for prediction of retention indices (RIs) of compounds isolated from M. vulgare volatiles. A total of 160 experimentally obtained RIs of volatile compounds was used to build the prediction models. The coefficients of determination were 0.956 and 0.964, demonstrating that these models could be used for predicting RIs, due to low prediction error and high r2 . PB - MDPI T2 - Plants T1 - Chemical characterization of marrubium vulgare volatiles from Serbia VL - 10 IS - 3 SP - 600 DO - 10.3390/plants10030600 ER -
@article{ author = "Aćimović, Milica G. and Ivanović, Stefan and Simić, Katarina and Pezo, Lato and Zeremski, Tijana and Ovuka, Jelena S. and Sikora, Vladimir Š.", year = "2021", abstract = "Marrubium vulgare is a cosmopolitan medicinal plant from the Lamiaceae family, which produces structurally highly diverse groups of secondary metabolites. A total of 160 compounds were determined in the volatiles from Serbia during two investigated years (2019 and 2020). The main components were E-caryophyllene, followed by germacrene D, α-humulene and α-copaene. All these compounds are from sesquiterpene hydrocarbons class which was dominant in both investigated years. This variation in volatiles composition could be a consequence of weather conditions, as in the case of other aromatic plants. According to the unrooted cluster tree with 37 samples of Marrubium sp. volatiles from literature and average values from this study, it could be said that there are several chemotypes: E-caryophyllene, β-bisabolene, α-pinene, β-farnesene, E-caryophyllene + caryophyllene oxide chemotype, and diverse (unclassified) chemotypes. However, occurring polymorphism could be consequence of adaptation to grow in different environment, especially ecological conditions such as humidity, temperature and altitude, as well as hybridization strongly affected the chemotypes. In addition, this paper aimed to obtain validated models for prediction of retention indices (RIs) of compounds isolated from M. vulgare volatiles. A total of 160 experimentally obtained RIs of volatile compounds was used to build the prediction models. The coefficients of determination were 0.956 and 0.964, demonstrating that these models could be used for predicting RIs, due to low prediction error and high r2 .", publisher = "MDPI", journal = "Plants", title = "Chemical characterization of marrubium vulgare volatiles from Serbia", volume = "10", number = "3", pages = "600", doi = "10.3390/plants10030600" }
Aćimović, M. G., Ivanović, S., Simić, K., Pezo, L., Zeremski, T., Ovuka, J. S.,& Sikora, V. Š.. (2021). Chemical characterization of marrubium vulgare volatiles from Serbia. in Plants MDPI., 10(3), 600. https://doi.org/10.3390/plants10030600
Aćimović MG, Ivanović S, Simić K, Pezo L, Zeremski T, Ovuka JS, Sikora VŠ. Chemical characterization of marrubium vulgare volatiles from Serbia. in Plants. 2021;10(3):600. doi:10.3390/plants10030600 .
Aćimović, Milica G., Ivanović, Stefan, Simić, Katarina, Pezo, Lato, Zeremski, Tijana, Ovuka, Jelena S., Sikora, Vladimir Š., "Chemical characterization of marrubium vulgare volatiles from Serbia" in Plants, 10, no. 3 (2021):600, https://doi.org/10.3390/plants10030600 . .