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Efficiency of Natural Deep Eutectic Solvents to Extract Phenolic Compounds from Agrimonia eupatoria: Experimental Study and In Silico Modelling

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2022
Efficiency_of_Natural_Deep_pub_2022.pdf (1.286Mb)
Authors
Lazović, Mila
Cvijetić, Ilija
Jankov, Milica
Milojković-Opsenica, Dušanka
Trifković, Jelena
Ristivojević, Petar
Article (Published version)
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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 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.

Keywords:
conductor-like screening model for realistic solvation / flavonol glycosides / heating extraction method / natural deep eutectic solvents / UHPLC-DAD-MS/MS
Source:
Plants, 2022, 11, 2346-
Publisher:
  • MDPI
Funding / projects:
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200168 (University of Belgrade, Faculty of Chemistry) (RS-200168)
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200288 (Innovation Center of the Faculty of Chemistry) (RS-200288)
Note:
  • Supplementary material: https://cherry.chem.bg.ac.rs/handle/123456789/5659
Related info:
  • Referenced by
    https://cherry.chem.bg.ac.rs/handle/123456789/5659

DOI: 10.3390/plants11182346

ISSN: 2223-7747

Scopus: 2-s2.0-85138755816
[ Google Scholar ]
URI
http://cherry.chem.bg.ac.rs/handle/123456789/5637
Collections
  • Publikacije
  • Primarni podaci
Institution/Community
Inovacioni centar
TY  - 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 . .

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