CER - Central Repository
Institute of Chemistry, Technology and Metallurgy
    • English
    • Српски
    • Српски (Serbia)
  • English 
    • English
    • Serbian (Cyrillic)
    • Serbian (Latin)
  • Login
View Item 
  •   CER
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
  •   CER
  • IHTM
  • Radovi istraživača / Researchers' publications
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Chemical characterization of marrubium vulgare volatiles from Serbia

Thumbnail
2021
osnovni rad (1.154Mb)
Authors
Aćimović, Milica G.
Ivanović, Stefan
Simić, Katarina
Pezo, Lato
Zeremski, Tijana
Ovuka, Jelena S.
Sikora, Vladimir Š.
Article (Published version)
Metadata
Show full item record
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 .

Keywords:
Boosted trees regression model / GC–MS / Horehound / QSRR / Retention indices / Marrubium vulgare
Source:
Plants, 2021, 10, 3, 600-
Publisher:
  • MDPI
Funding / projects:
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200032 (Institute of Field and Vegetable Crops, Novi Sad) (RS-200032)

DOI: 10.3390/plants10030600

ISSN: 2223-7747

PubMed: 33806732

WoS: 000634067800001

Scopus: 2-s2.0-85102885295
[ Google Scholar ]
7
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/4601
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - 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 . .

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

re3dataOpenAIRERCUB
 

 

All of DSpaceInstitutions/communitiesAuthorsTitlesSubjectsThis institutionAuthorsTitlesSubjects

Statistics

View Usage Statistics

DSpace software copyright © 2002-2015  DuraSpace
About CeR – Central Repository | Send Feedback

re3dataOpenAIRERCUB