Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling
Аутори
Lazović, MilaCvijetić, Ilija
Jankov, Milica
Milojković-Opsenica, Dušanka
Trifković, Jelena
Ristivojević, Petar
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
To replace common organic solvents that present inherent toxicity and have high volatility and to improve the extraction efficiency, a range of natural deep eutectic solvents (NADESs) were evaluated for the extraction of phenolic compounds from Agrimonia eupatoria. Screening of NADES efficiency was carried out based on the total phenolic and flavonoid content and radical-scavenging activity, determined by spectrophotometry, as well as phenolic compounds quantified, obtained using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer. Increased extraction efficiency when compared with organic solvent was achieved using NADES mixtures choline chloride (ChCl):urea 1:2 and choline chloride:glycerol 1:1. Flavonol glycosides were the most abundant compounds in all extracts. The COSMO-RS model provided insights into the most important intermolecular interactions that drive the extraction process. Moreover, it could explain the extra...ction efficiency of flavonol glycosides using ChCl:glycerol NADES. The current article offers experimental evidence and mechanistic insights for the selection of optimal NADES to extract bioactive components from Agrimonia eupatoria. © 2022 by the authors.
Кључне речи:
conductor-like screening model for realistic solvation / flavonol glycosides / heating extraction method / natural deep eutectic solvents / UHPLC-DAD-MS/MSИзвор:
Plants, 2022, 11, 2346-Издавач:
- MDPI
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200168 (Универзитет у Београду, Хемијски факултет) (RS-200168)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200288 (Иновациони центар Хемијског факултета у Београду доо) (RS-200288)
Напомена:
- Supplementary material: https://cherry.chem.bg.ac.rs/handle/123456789/5659
Повезане информације:
Институција/група
Inovacioni centar / Innovation CentreTY - JOUR AU - Lazović, Mila AU - Cvijetić, Ilija AU - Jankov, Milica AU - Milojković-Opsenica, Dušanka AU - Trifković, Jelena AU - Ristivojević, Petar PY - 2022 UR - http://cherry.chem.bg.ac.rs/handle/123456789/5637 AB - To replace common organic solvents that present inherent toxicity and have high volatility and to improve the extraction efficiency, a range of natural deep eutectic solvents (NADESs) were evaluated for the extraction of phenolic compounds from Agrimonia eupatoria. Screening of NADES efficiency was carried out based on the total phenolic and flavonoid content and radical-scavenging activity, determined by spectrophotometry, as well as phenolic compounds quantified, obtained using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer. Increased extraction efficiency when compared with organic solvent was achieved using NADES mixtures choline chloride (ChCl):urea 1:2 and choline chloride:glycerol 1:1. Flavonol glycosides were the most abundant compounds in all extracts. The COSMO-RS model provided insights into the most important intermolecular interactions that drive the extraction process. Moreover, it could explain the extraction efficiency of flavonol glycosides using ChCl:glycerol NADES. The current article offers experimental evidence and mechanistic insights for the selection of optimal NADES to extract bioactive components from Agrimonia eupatoria. © 2022 by the authors. PB - MDPI T2 - Plants T1 - Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling VL - 11 SP - 2346 DO - 10.3390/plants11182346 ER -
@article{ author = "Lazović, Mila and Cvijetić, Ilija and Jankov, Milica and Milojković-Opsenica, Dušanka and Trifković, Jelena and Ristivojević, Petar", year = "2022", abstract = "To replace common organic solvents that present inherent toxicity and have high volatility and to improve the extraction efficiency, a range of natural deep eutectic solvents (NADESs) were evaluated for the extraction of phenolic compounds from Agrimonia eupatoria. Screening of NADES efficiency was carried out based on the total phenolic and flavonoid content and radical-scavenging activity, determined by spectrophotometry, as well as phenolic compounds quantified, obtained using ultra-high-performance liquid chromatography with a diode array detector and a triple-quadrupole mass spectrometer. Increased extraction efficiency when compared with organic solvent was achieved using NADES mixtures choline chloride (ChCl):urea 1:2 and choline chloride:glycerol 1:1. Flavonol glycosides were the most abundant compounds in all extracts. The COSMO-RS model provided insights into the most important intermolecular interactions that drive the extraction process. Moreover, it could explain the extraction efficiency of flavonol glycosides using ChCl:glycerol NADES. The current article offers experimental evidence and mechanistic insights for the selection of optimal NADES to extract bioactive components from Agrimonia eupatoria. © 2022 by the authors.", publisher = "MDPI", journal = "Plants", title = "Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling", volume = "11", pages = "2346", doi = "10.3390/plants11182346" }
Lazović, M., Cvijetić, I., Jankov, M., Milojković-Opsenica, D., Trifković, J.,& Ristivojević, P.. (2022). Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants MDPI., 11, 2346. https://doi.org/10.3390/plants11182346
Lazović M, Cvijetić I, Jankov M, Milojković-Opsenica D, Trifković J, Ristivojević P. Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling. in Plants. 2022;11:2346. doi:10.3390/plants11182346 .
Lazović, Mila, Cvijetić, Ilija, Jankov, Milica, Milojković-Opsenica, Dušanka, Trifković, Jelena, Ristivojević, Petar, "Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling" in Plants, 11 (2022):2346, https://doi.org/10.3390/plants11182346 . .