Percorrer por autor "Leal-Duaso, Alejandro"
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- Glycerol ethers as hydrotropes and their use to enhance the solubility of phenolic acids in waterPublication . Soares, Bruna de Paula; Abranches, João Dinis Oliveira; Sintra, Tânia E.; Leal-Duaso, Alejandro; García, José Ignacio; Pires, Elísabet; Shimizu, Seishi; Pinho, Simão; Coutinho, João A.P.The use of glycerol ethers (with alkyl side chain ranging from one to six methyl groups) as hydrotropes to enhance the solubility of gallic and syringic acids in water was here studied. These compounds were selected due to their biological and industrial applications and for serving as model molecules for lignin solubilization. The results obtained were compared against traditional co-solvents, demonstrating the exceptional hydrotropic ability of glycerol ethers. Setschenow constants show that the hydrophobicities of both solute and hydrotrope play an important role in the solubility enhancement by hydrotropy, shedding light into its molecular mechanism. The solubility curves of gallic acid and syringic acid in the aqueous glycerol ether solutions were fitted using a recently proposed statistical thermodynamics-based model. This allowed the estimation of solute recovery from hydrotropic solution by using water as antisolvent. Unlike what is usually claimed it is here shown that in some conditions it is impossible to recover the solute by simply adding water. This analysis paves the way for a rational design and selection of hydrotropes, in which both solubility enhancement and solute recovery are critical parameters to be taken into account.
- Unveiling the mechanism of hydrotropy: Evidence for water-mediated aggregation of hydrotropes around the solutePublication . Abranches, João Dinis Oliveira; Benfica, Jordana; Soares, Bruna de Paula; Leal-Duaso, Alejandro; Sintra, Tânia E.; Pires, Elísabet; Pinho, Simão; Shimizu, Seishi; Coutinho, João A.P.A recent proposal attributes the origin of hydrotropy to the water-mediated aggregation of hydrotrope molecules around the solute. Experimental evidence for this phenomenon is reported for the first time in this work, using 1H-NMR. A new computational technique to quantify apolarity is introduced and is used to show that apolarity of both solute and hydrotrope is the driving force of hydrotropy. This journal is