Sid, DouniaBaitiche, MiladBourzami, RiahdMerir, RoufaidaDjerboua, FerhatGil Bravo, AntonioBoutahala, Mokhtar2022-01-262023-07-042021Dounia Sid, Milad Baitiche, Riadh Bourzami, Roufaida Merir, Ferhat Djerboua, Antonio Gil and Mokhtar Boutahala, Experimental and theoretical studies of the interaction of ketoprofen in halloysite nanotubes, Colloids and Surfaces A: Physicochemical and Engineering Aspects, (2021) doi:https://doi.org/10.1016/j.colsurfa.2021.1271360927-775710.1016/j.colsurfa.2021.127136https://academica-e.unavarra.es/handle/2454/41949In recent years, the application of halloysite (HAL) in the conception of drug systems has become important due to its excellent physicochemical properties. Ketoprofen (KET) is widely used around the world as an anti-inflammatory drug. A formulation of HAL-KET was prepared. The interaction between the KET molecules and HAL has been investigated experimentally by Zeta potential, TEM, XRD, FTIR spectroscopy and TGA/DSC. In addition, this interaction was studied theoretically by using Monte-Carlo calculation method (MC). The results have shown that the interaction of KET is stabilized not only by electrostatic interactions and hydrogen bonds with HAL but also via the delocalized π electrons density of phenyl groups of KET and the hydrogen atoms of HAL.31 p.application/pdfeng© 2021 Elsevier B.V. This manuscript version is made available under the CC-BY-NC-ND 4.0CharacterizationHalloysiteInteractionKetoprofenMolecular modelingPharmaceutical carrierinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/openAccess