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Advisor(s)
Abstract(s)
The formation of deep eutectic solvents (DES) is tied to negative deviations to ideality
caused by the establishment of stronger interactions in the mixture than in the pure DES precursors.
This work tested thymol and menthol as hydrogen bond donors when combined with different
flavonoids. Negative deviations from ideality were observed upon mixing thymol with either
flavone or flavanone, two parent flavonoids that only have hydrogen bond acceptor (HBA) groups,
thus forming non-ionic DES (Type V). On the other hand, the menthol systems with the same
compounds generally showed positive deviations from ideality. That was also the case with the
mixtures containing the more complex hydroxylated flavonoid, hesperetin, which resulted in positive
deviations when mixed with either thymol or menthol. COSMO-RS successfully predicted the
behavior of the solid-liquid phase diagram of the studied systems, allowing for evaluation of the
impact of the different contributions to the intermolecular interactions, and proving to be a good tool
for the design of DES.
Description
Keywords
Deep eutectic solvents Solid-liquid equilibria Flavonoids Terpenoids COSMO-RS
Pedagogical Context
Citation
Teixeira, Gabriel; Abranches, Dinis O.; Silva, Liliana P.; Vilas-Boas, Sérgio M.; Pinho, Simão; Ferreira, Ana I.M.C.L.; Santos, Luís M.N.B.F.; Ferreira, Olga; Coutinho, João A.P. (2022). Liquefying flavonoids with terpenoids through deep eutectic solvent formation. Molecules. ISSN 1420-3049. 27:9, p. 1-12