Theoretical Study of Retinol, Niacinamide and Glycolic Acid with Halloysite Clay Mineral as Active Ingredients for Topical Skin Care Formulations
Metadatos
Afficher la notice complèteAuteur
Borrego Sánchez, Ana María; Sainz Díaz, Claro Ignacio; Perioli, Luana; Viseras Iborra, César AntonioEditorial
MDPI
Materia
Halloysite Retinol Niacinamide Glycolic acid Adsorption Molecular modeling
Date
2021-07-21Referencia bibliográfica
Borrego-Sánchez, A... [et al.]. Theoretical Study of Retinol, Niacinamide and Glycolic Acid with Halloysite Clay Mineral as Active Ingredients for Topical Skin Care Formulations. Molecules 2021, 26, 4392. [https://doi.org/10.3390/molecules26154392]
Patrocinador
Spanish Ministerio de Economia, Industria y Competitividad PCIN2017-098; Junta de Andalucia; European Commission P18-RT-3786Résumé
The adsorption of retinol, niacinamide and glycolic acid active ingredients on the internal
surface of halloysite in an aqueous environment was explored at the molecular level by means of
calculations based on quantum mechanics and force fields from empirical interatomic potentials.
These active ingredients are stably adsorbed on the internal surface of halloysite forming hydrogen
bonds between the hydrogen, oxygen and nitrogen atoms with the hydroxyl groups of the inner
surface of the halloysite. In addition, electrostatic interaction between these active ingredients with
the water molecules was observed. Therefore, the theoretical results indicate that the adsorption
of these active principles is favourable in the halloysite nanotube, which allows directing future
experimental investigations for the development and design of retinol, niacinamide and glycolic acid
with halloysite nanotubes systems, which may be topical formulations for skincare.