The quantitative structure-retention relationship of the GC-MS profile of yarrow essential oil
Authors
Aćimović, MilicaPezo, Lato
Stanković Jeremić, Jovana
Todosijević, Marina
Rat, Milica
Tešević, Vele
Cvetković, Mirjana
Article (Published version)
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In the essential oil of yarrow (Achillea millefolium L. sensu lato) collected from natural population 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 predict 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 model could be used for prediction purposes.
Keywords:
Achillea millefolium / retention indices / molecular descriptors / factor analysis / genetic algorithm / coefficients of determination / essential oils / yarrow / SerbiaSource:
Acta Periodica Technologica, 2021, 52, 123-132Publisher:
- Novi Sad : University of Novi Sad, Faculty of Technology
Funding / projects:
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200032 (Institute of Field and Vegetable Crops, Novi Sad) (RS-MESTD-inst-2020-200032)
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FiVeRTY - 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 - http://fiver.ifvcns.rs/handle/123456789/2649 AB - In the essential oil of yarrow (Achillea millefolium L. sensu lato) collected from natural population 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 predict 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 model could be used for prediction purposes. PB - Novi Sad : University of Novi Sad, Faculty of Technology T2 - Acta Periodica Technologica T1 - The quantitative structure-retention relationship of the GC-MS profile of yarrow essential oil EP - 132 SP - 123 VL - 52 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 population 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 predict 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 model could be used for prediction purposes.", publisher = "Novi Sad : University of Novi Sad, Faculty of Technology", journal = "Acta Periodica Technologica", title = "The quantitative structure-retention relationship of the GC-MS profile of yarrow essential oil", pages = "132-123", volume = "52", 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 GC-MS profile of yarrow essential oil. in Acta Periodica Technologica Novi Sad : University of 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 GC-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 GC-MS profile of yarrow essential oil" in Acta Periodica Technologica, 52 (2021):123-132, https://doi.org/10.2298/APT2152123A . .