Gil Bravo, Antonio

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https://academica-e.unavarra.es/handle/2454/49135

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Gil Bravo

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Antonio

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Ciencias

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InaMat2. Instituto de Investigación en Materiales Avanzados y Matemáticas

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0000-0001-9323-5981

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88497

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Author: Baitiche, Milad × Subject: Molecular modeling ×

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    PublicationOpen Access
    Experimental and theoretical studies of the interaction of ketoprofen in halloysite nanotubes
    (Elsevier, 2021) Sid, Dounia; Baitiche, Milad; Bourzami, Riahd; Merir, Roufaida; Djerboua, Ferhat; Gil Bravo, Antonio; Boutahala, Mokhtar; Zientziak; Institute for Advanced Materials and Mathematics - INAMAT2; Ciencias
    In 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.