Work

On the behavior of quercetin + organic solvent solutions and their role for C60 fullerene solubilization

Year: 2021

Type: article

Abstract: 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.

Source: Journal of Molecular Liquids

DOI: 10.1016/j.molliq.2021.117714

Authors: Juan Antonio Tamayo-Ramos, Sonia Martel, Rocío Barros, Alfredo Bol, Mert Atilhan, Santiago Aparicio

Institutions: Universidad de Burgos, Western Michigan University

Language: English

Topic: Fullerene Chemistry and Applications

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,560

Funders: Ministerio de Ciencia, Innovación y Universidades, Consejería de Educación, Junta de Castilla y León, Junta de Castilla y León, H2020 Industrial Leadership