2024-03-29T11:10:13Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/61702022-11-23T13:32:09Zcom_10259.4_2527com_10259_5086com_10259_2604com_10259_4323com_10259_6168col_10259_4330col_10259.4_2528col_10259_6169
2021-11-17T13:56:37Z
urn:hdl:10259/6170
On the behavior of quercetin + organic solvent solutions and their role for C60 fullerene solubilization
Tamayo Ramos, Juan Antonio
Martel Martín, Sonia
Barros García, Rocío
Bol Arreba, Alfredo
Atilhan, Mert .
Aparicio Martínez, Santiago
Flavonoids
Polar solvents
Fullerenes
Solubility
Nanostructuring
Molecular dynamics
The nature of flavonoids in polar organic solvents solutions is studied using classical molecular dynamics simulations considering quercetin as an archetypical flavonoid and acetone, dimethylformamide and dimethyl sulfoxide as representatives of solvents with different polarity. The solvation, intermolecular forces (hydrogen bonding) and interactions of the flavonoid with the solvents are analyzed. Likewise, the role of quercetin on changing the solvent properties and the possibility of acting as a solubility enhancer for fullerenes (C60) are studied by considering the properties of C60 fullerene in quercetin plus polar solvents solutions. The reported results provide information on the nature of the considered complex liquid mixtures and analyze the possibility of using flavonoids as natural, non-toxic, modifiers of traditional polar organic solvents and to improve the solubility of complex solutes such as fullerene nanoparticles.
2021-11-17T13:56:37Z
2021-11-17T13:56:37Z
2022-01
info:eu-repo/semantics/article
0167-7322
http://hdl.handle.net/10259/6170
10.1016/j.molliq.2021.117714
eng
Journal of Molecular Liquids. 2022, V. 345, 117714
https://doi.org/10.1016/j.molliq.2021.117714
info:eu-repo/grantAgreement/Junta de Castilla y León//BU058P20//NANOCOMP: Development of safe by design tools and recommendations for complex nanomaterial formulations
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-101987-B-I00/ES/NANOCOMPOSITES POROSOS DE LIQUIDOS IONICOS PARA EL ALMACENAMIENTO DE METANO
http://creativecommons.org/licenses/by-nc-nd/4.0/
info:eu-repo/semantics/openAccess
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Elsevier