COSMO-SAC model approach for deep eutectic solvent selection to extract quercetin from macela (A. satureioides) and experimental process optimization

Goltz, Caroline; Barbieri, Júlia Bortoluzzi; Cavalheiro, Flávia Batistão; Toci, Aline Theodoro; Farias, Fabiane Oliveira; Mafra, Marcos R.

doi:10.1007/s13399-021-01821-2

Cited by 6 publications

(3 citation statements)

References 38 publications

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“…[38,39] Besides, DES as a solvent to obtain bioactive compounds from natural matrices, similar to EUL, also resulted in high indexes of antioxidant activities. [36,40,41] The higher activity observed in [Ch]Cl: LA extracts corroborates the results obtained from the TPC.…”

Section: Extracts' Characterizationsupporting

confidence: 84%

Optimization of green extraction of high‐value components from Eugenia uniflora leaves: Thermal stability and in‐vitro biological activity

et al. 2022

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Deep eutectic solvents (DES) were evaluated as a sustainable route to obtain bioactive compounds from Eugenia uniflora L. leaves (EUL). Completely randomized experimental designs determined the process conditions. The DES composed of cholinium chloride as hydrogen bond acceptor (HBA) and lactic acid, glycerol, or 1,2‐propanediol as hydrogen bond donor (HBD) showed the best extraction capacity. The better conditions were 150 min, 65°C, and a solid:liquid ratio of 1:30. The major constituents of the extracts, quantified by high‐performance liquid chromatography (HPLC), were naringin and caffeic acid. Moreover, the DES promoted a preservative effect on the EUL extracts against thermal treatments. All extracts exhibited high antioxidant and antiglycation activities and iron‐chelating potential. Moreover, when lactic acid was the HBD, the extracts showed considerable antibacterial activity. Therefore, it was effectively proposed as an effective and green route to obtain extracts with potential applications in the food, cosmetic, and pharmaceutical industries.

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Section: Extracts' Characterizationsupporting

confidence: 84%

Optimization of green extraction of high‐value components from Eugenia uniflora leaves: Thermal stability and in‐vitro biological activity

et al. 2022

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“…In previous research, gallic acid was the predominant bioactive compound found in Eugenia uniflora leaves , and in EPC purée and the residues. ,, Gallic acid has a logarithm of the octanol–water partition (Log K OW ) of 0.70. The Log K OW is a parameter commonly used to indicate the hydrophilicity/lipophilicity character of a compound.…”

Section: Resultsmentioning

confidence: 94%

Green Designer Solvents for Boosting the Extraction of Biocompounds from Eugenia pyriformis Cambess Leaves

Ueda

Ronko

Toci

et al. 2022

ACS Food Sci. Technol.

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This work aimed at evaluating eutectic mixtures as green and designer solvents to extract bioactive compounds from Eugenia pyriformis Cambess (EPC) leaves. First, it was defined through the Folin–Ciocalteu (F–C) reducing capacity and antioxidant activity the optimized conditions of solid–liquid extraction (SLE). Consecutively, this condition (65 °C, 1:30 (m/v) solid–liquid ratio, and 150 min of process) was applied to evaluate the effect of the eutectic mixture-forming compounds in the SLE. The results showed that the lactic acid-based eutectic mixture was the most suitable solvent to preserve bioactive compounds from EPC leaves. Moreover, according to F–C analysis, the lactic acid-based eutectic mixtures boosted the SLE (163.14 ± 5.81 mg gallic acid/g sample). Regarding the phenolic profile, the EPC leaves showed the presence of quercetin, naringin, rutin, catechin, and gallic acid. These findings proved the eutectic mixtures and their forming compounds designer ability to extract valuable biocompounds from EPC leaves.

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“…COSMO-SAC has found wide application in the prediction of vapor–liquid equilibrium or liquid–liquid equilibrium of systems involving organic solvents, , ILs, and SFs due to its good predictive capabilities for thermodynamic properties. Concerning ES-related studies, more emphasis has been placed on evaluating the performance of the ESs as the solvent (e.g., solubility and selectivity), , and to the best of our knowledge, there is no comprehensive study concerning the performance of COMO-SAC for the SLE prediction of binary ESs.…”

Section: Introductionmentioning

confidence: 99%

Assessment of COSMO-SAC Predictions for Solid–Liquid Equilibrium in Binary Eutectic Systems

Peng

Alhadid

Minceva

2022

Ind. Eng. Chem. Res.

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As green and sustainable solvents, deep eutectic solvents (DESs) have received wide attention in various fields. Predictions of solid–liquid equilibrium (SLE) make it easier to choose DES constituents from a large pool of potential compounds. The conductor-like screening model for segment activity coefficient (COSMO-SAC) predictions for the SLE of 94 nonsalt and 122 salt-based binary eutectic systems was evaluated in this study. It was found that the COSMO-SAC model can provide satisfactory predictions for the eutectic point of most nonsalt eutectic systems. Similar results were obtained when using the ideal solution model. The salt was represented in salt-based eutectic systems using one of two methods: as an ion pair or as fully dissociated ions. COSMO-SAC predictions for salt-based eutectic systems were unsatisfactory regardless of the salt representation method used. This inaccuracy in predicting SLE in the salt-based eutectic systems is not only due to model limitations but also due to the lack of reliable melting properties for thermally unstable salts.

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COSMO-SAC model approach for deep eutectic solvent selection to extract quercetin from macela (A. satureioides) and experimental process optimization

Cited by 6 publications

References 38 publications

Optimization of green extraction of high‐value components from Eugenia uniflora leaves: Thermal stability and in‐vitro biological activity

Optimization of green extraction of high‐value components from Eugenia uniflora leaves: Thermal stability and in‐vitro biological activity

Green Designer Solvents for Boosting the Extraction of Biocompounds from Eugenia pyriformis Cambess Leaves

Assessment of COSMO-SAC Predictions for Solid–Liquid Equilibrium in Binary Eutectic Systems

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