Chemical Characterization of Marrubium vulgare Volatiles from Serbia
2021
Аутори
Aćimović, MilicaIvanović, Stefan
Simić, Katarina
Pezo, Lato
Zeremski, Tijana
Ovuka, Jelena
Sikora, Vladimir
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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, alpha-humulene and alpha-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, beta-bisabolene, alpha-pinene, beta-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 r(2).
Кључне речи:
horehound / GC-MS / retention indices / QSRR / boosted trees regression modelИзвор:
Plants-Basel, 2021, 10, 3Издавач:
- Basel : MDPI
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200032 (Научни институт за ратарство и повртарство, Нови Сад) (RS-MESTD-inst-2020-200032)
DOI: 10.3390/plants10030600
ISSN: 2223-7747
PubMed: 33806732
WoS: 000634067800001
Scopus: 2-s2.0-85102885295
Колекције
Институција/група
FiVeRTY - JOUR AU - Aćimović, Milica AU - Ivanović, Stefan AU - Simić, Katarina AU - Pezo, Lato AU - Zeremski, Tijana AU - Ovuka, Jelena AU - Sikora, Vladimir PY - 2021 UR - http://fiver.ifvcns.rs/handle/123456789/2093 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, alpha-humulene and alpha-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, beta-bisabolene, alpha-pinene, beta-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 r(2). PB - Basel : MDPI T2 - Plants-Basel T1 - Chemical Characterization of Marrubium vulgare Volatiles from Serbia IS - 3 VL - 10 DO - 10.3390/plants10030600 ER -
@article{ author = "Aćimović, Milica and Ivanović, Stefan and Simić, Katarina and Pezo, Lato and Zeremski, Tijana and Ovuka, Jelena and Sikora, Vladimir", 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, alpha-humulene and alpha-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, beta-bisabolene, alpha-pinene, beta-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 r(2).", publisher = "Basel : MDPI", journal = "Plants-Basel", title = "Chemical Characterization of Marrubium vulgare Volatiles from Serbia", number = "3", volume = "10", doi = "10.3390/plants10030600" }
Aćimović, M., Ivanović, S., Simić, K., Pezo, L., Zeremski, T., Ovuka, J.,& Sikora, V.. (2021). Chemical Characterization of Marrubium vulgare Volatiles from Serbia. in Plants-Basel Basel : MDPI., 10(3). https://doi.org/10.3390/plants10030600
Aćimović M, Ivanović S, Simić K, Pezo L, Zeremski T, Ovuka J, Sikora V. Chemical Characterization of Marrubium vulgare Volatiles from Serbia. in Plants-Basel. 2021;10(3). doi:10.3390/plants10030600 .
Aćimović, Milica, Ivanović, Stefan, Simić, Katarina, Pezo, Lato, Zeremski, Tijana, Ovuka, Jelena, Sikora, Vladimir, "Chemical Characterization of Marrubium vulgare Volatiles from Serbia" in Plants-Basel, 10, no. 3 (2021), https://doi.org/10.3390/plants10030600 . .