In the essential oil of yarrow (Achillea millefolium L. sensu lato) collected from natural popula-
tion on Mt. Rtanj (Serbia) and distilled by Clevenger apparatus 104 compounds were detected, and
the most abundant were camphor (9.8%), caryophyllene oxide (6.5%), terpinen-4-ol (6.3%) and 1,8-
cineole (5.6%). The quantitative structure-retention relationship (QSRR) model was employed to pre-
dict the retention indices, using four molecular descriptors selected by factor analysis and a genetic
algorithm. The coefficients of determination reached the value of 0.862, demonstrating that this mo-
del could be used for prediction purposes.
Keywords:
Achillea millefolium L. / retention indices / molecular descriptors / factor analysis / genetic algorithm / coefficients of determination / Коефицијенти детерминације / Анализа фактора / Генетски алгоритам / Молекуларни дескриптори / Индекси задржавања
TY - JOUR
AU - Aćimović, Milica
AU - Pezo, Lato
AU - Stanković Jeremić, Jovana
AU - Todosijević, Marina
AU - Rat, Milica
AU - Tešević, Vele
AU - Cvetković, Mirjana
PY - 2021
UR - https://cer.ihtm.bg.ac.rs/handle/123456789/5291
AB - In the essential oil of yarrow (Achillea millefolium L. sensu lato) collected from natural popula-
tion on Mt. Rtanj (Serbia) and distilled by Clevenger apparatus 104 compounds were detected, and
the most abundant were camphor (9.8%), caryophyllene oxide (6.5%), terpinen-4-ol (6.3%) and 1,8-
cineole (5.6%). The quantitative structure-retention relationship (QSRR) model was employed to pre-
dict the retention indices, using four molecular descriptors selected by factor analysis and a genetic
algorithm. The coefficients of determination reached the value of 0.862, demonstrating that this mo-
del could be used for prediction purposes.
PB - Novi Sad : Faculty of Technology
T2 - Acta Periodica Technologica
T1 - The quantitative structure retention relationship of the gs ms profile of yarrow essential oil
IS - 52
SP - 123
EP - 132
DO - 10.2298/APT2152123A
ER -
@article{
author = "Aćimović, Milica and Pezo, Lato and Stanković Jeremić, Jovana and Todosijević, Marina and Rat, Milica and Tešević, Vele and Cvetković, Mirjana",
year = "2021",
abstract = "In the essential oil of yarrow (Achillea millefolium L. sensu lato) collected from natural popula-
tion on Mt. Rtanj (Serbia) and distilled by Clevenger apparatus 104 compounds were detected, and
the most abundant were camphor (9.8%), caryophyllene oxide (6.5%), terpinen-4-ol (6.3%) and 1,8-
cineole (5.6%). The quantitative structure-retention relationship (QSRR) model was employed to pre-
dict the retention indices, using four molecular descriptors selected by factor analysis and a genetic
algorithm. The coefficients of determination reached the value of 0.862, demonstrating that this mo-
del could be used for prediction purposes.",
publisher = "Novi Sad : Faculty of Technology",
journal = "Acta Periodica Technologica",
title = "The quantitative structure retention relationship of the gs ms profile of yarrow essential oil",
number = "52",
pages = "123-132",
doi = "10.2298/APT2152123A"
}
Aćimović, M., Pezo, L., Stanković Jeremić, J., Todosijević, M., Rat, M., Tešević, V.,& Cvetković, M.. (2021). The quantitative structure retention relationship of the gs ms profile of yarrow essential oil. in Acta Periodica Technologica
Novi Sad : Faculty of Technology.(52), 123-132.
https://doi.org/10.2298/APT2152123A
Aćimović M, Pezo L, Stanković Jeremić J, Todosijević M, Rat M, Tešević V, Cvetković M. The quantitative structure retention relationship of the gs ms profile of yarrow essential oil. in Acta Periodica Technologica. 2021;(52):123-132.
doi:10.2298/APT2152123A .
Aćimović, Milica, Pezo, Lato, Stanković Jeremić, Jovana, Todosijević, Marina, Rat, Milica, Tešević, Vele, Cvetković, Mirjana, "The quantitative structure retention relationship of the gs ms profile of yarrow essential oil" in Acta Periodica Technologica, no. 52 (2021):123-132,
https://doi.org/10.2298/APT2152123A . .
