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    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/6170

    Título
    On the behavior of quercetin + organic solvent solutions and their role for C60 fullerene solubilization
    Autor
    Tamayo Ramos, Juan AntonioUBU authority
    Martel Martín, Sonia
    Barros García, Rocío
    Bol Arreba, AlfredoUBU authority
    Atilhan, Mert .
    Aparicio Martínez, SantiagoUBU authority
    Publicado en
    Journal of Molecular Liquids. 2022, V. 345, 117714
    Editorial
    Elsevier
    Fecha de publicación
    2022-01
    ISSN
    0167-7322
    DOI
    10.1016/j.molliq.2021.117714
    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.
    Palabras clave
    Flavonoids
    Polar solvents
    Fullerenes
    Solubility
    Nanostructuring
    Molecular dynamics
    Materia
    Microbiología
    Microbiology
    Química física
    Chemistry, Physical and theoretical
    URI
    http://hdl.handle.net/10259/6170
    Versión del editor
    https://doi.org/10.1016/j.molliq.2021.117714
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    Attribution-NonCommercial-NoDerivatives 4.0 Internacional
    Documento(s) sujeto(s) a una licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 Internacional
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