Characterization of xylitol or citric acid:choline chloride:water mixtures: Structure, thermophysical properties, and quercetin solubility

Noelia López; Ignacio Delso; David Matute; Carlos Lafuente; Manuela Artal

doi:10.1016/j.foodchem.2019.125610

Characterization of xylitol or citric acid:choline chloride:water mixtures: Structure, thermophysical properties, and quercetin solubility

Noelia López, Ignacio Delso, David Matute, Carlos Lafuente, Manuela Artal

Research output: Contribution to journal › Article › peer-review

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Abstract

The industrial implementation of new eco-friendly solvents has highlighted the need to analyse both the structures and thermophysical properties of these solvents. Here, two deep eutectic solvents (DESs) used in the agro-food field were studied: xylitol:choline chloride:water (1:2:3 M ratio), XoCH, and citric acid:choline chloride:water (1:1:6 M ratio), CiCH. The H-bond network between the components of each DES was evaluated and the diffusion coefficients at 298.15 K were calculated using NMR spectroscopy. In addition, seven thermophysical properties were determined from 278.15 to 338.15 K. Also, the solubility of quercetin in water and in the two eutectic mixtures was measured and the interactions between components were studied. NMR experiments revealed the presence of water within the supramolecular structure of XoCH, but CiCH is a “DES-in-water” solution. Based on the results, XoCH is the most compact mixture. Finally, quercetin was remarkably more soluble in the studied DESs than in pure water.

Original language	English
Article number	125610
Journal	Food Chemistry
Volume	306
Early online date	3 Oct 2019
DOIs	https://doi.org/10.1016/j.foodchem.2019.125610
Publication status	Published - 15 Feb 2020

Keywords

Choline chloride
DES
NMR
Quercetin
Solubility
Thermophysical properties

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10.1016/j.foodchem.2019.125610

xilitol_DESAccepted author manuscript, 477 KBLicence: CC BY-NC-ND

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title = "Characterization of xylitol or citric acid:choline chloride:water mixtures: Structure, thermophysical properties, and quercetin solubility",

abstract = "The industrial implementation of new eco-friendly solvents has highlighted the need to analyse both the structures and thermophysical properties of these solvents. Here, two deep eutectic solvents (DESs) used in the agro-food field were studied: xylitol:choline chloride:water (1:2:3 M ratio), XoCH, and citric acid:choline chloride:water (1:1:6 M ratio), CiCH. The H-bond network between the components of each DES was evaluated and the diffusion coefficients at 298.15 K were calculated using NMR spectroscopy. In addition, seven thermophysical properties were determined from 278.15 to 338.15 K. Also, the solubility of quercetin in water and in the two eutectic mixtures was measured and the interactions between components were studied. NMR experiments revealed the presence of water within the supramolecular structure of XoCH, but CiCH is a “DES-in-water” solution. Based on the results, XoCH is the most compact mixture. Finally, quercetin was remarkably more soluble in the studied DESs than in pure water.",

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author = "Noelia L{\'o}pez and Ignacio Delso and David Matute and Carlos Lafuente and Manuela Artal",

note = "Acknowledgments: This research was supported by Gobierno de Arag{\'o}n (Grant E31_17R), Fondo de Desarrollo Regional “Construyendo Europa desde Arag{\'o}n”. The authors would like to thank the financial assistance.",

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AU - López, Noelia

AU - Delso, Ignacio

AU - Matute, David

AU - Lafuente, Carlos

AU - Artal, Manuela

N1 - Acknowledgments: This research was supported by Gobierno de Aragón (Grant E31_17R), Fondo de Desarrollo Regional “Construyendo Europa desde Aragón”. The authors would like to thank the financial assistance.

PY - 2020/2/15

Y1 - 2020/2/15

N2 - The industrial implementation of new eco-friendly solvents has highlighted the need to analyse both the structures and thermophysical properties of these solvents. Here, two deep eutectic solvents (DESs) used in the agro-food field were studied: xylitol:choline chloride:water (1:2:3 M ratio), XoCH, and citric acid:choline chloride:water (1:1:6 M ratio), CiCH. The H-bond network between the components of each DES was evaluated and the diffusion coefficients at 298.15 K were calculated using NMR spectroscopy. In addition, seven thermophysical properties were determined from 278.15 to 338.15 K. Also, the solubility of quercetin in water and in the two eutectic mixtures was measured and the interactions between components were studied. NMR experiments revealed the presence of water within the supramolecular structure of XoCH, but CiCH is a “DES-in-water” solution. Based on the results, XoCH is the most compact mixture. Finally, quercetin was remarkably more soluble in the studied DESs than in pure water.

AB - The industrial implementation of new eco-friendly solvents has highlighted the need to analyse both the structures and thermophysical properties of these solvents. Here, two deep eutectic solvents (DESs) used in the agro-food field were studied: xylitol:choline chloride:water (1:2:3 M ratio), XoCH, and citric acid:choline chloride:water (1:1:6 M ratio), CiCH. The H-bond network between the components of each DES was evaluated and the diffusion coefficients at 298.15 K were calculated using NMR spectroscopy. In addition, seven thermophysical properties were determined from 278.15 to 338.15 K. Also, the solubility of quercetin in water and in the two eutectic mixtures was measured and the interactions between components were studied. NMR experiments revealed the presence of water within the supramolecular structure of XoCH, but CiCH is a “DES-in-water” solution. Based on the results, XoCH is the most compact mixture. Finally, quercetin was remarkably more soluble in the studied DESs than in pure water.

KW - Choline chloride

KW - DES

KW - NMR

KW - Quercetin

KW - Solubility

KW - Thermophysical properties

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M3 - Article

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JO - Food Chemistry

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Characterization of xylitol or citric acid:choline chloride:water mixtures: Structure, thermophysical properties, and quercetin solubility

Abstract

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