Study of the association between cocrystallization and nanotechnology: synthesis and theoretical-experimental investigation

• Grant number: 24/13063-5
• Support Opportunities: Scholarships in Brazil - Doctorate (Direct)
• Start date: January 01, 2025
• End date: July 31, 2029
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Analytical Chemistry
• Principal Investigator: Flávio Junior Caires
• Grantee: Maria Vitória Porto
• Host Institution: Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil
• Associated research grant: 23/06756-1 - Development and exploration of the potential of pharmaceutical nano-cocrystals - synergism between co-crystallization and nanotechnology, AP.R

Abstract

Nanotechnology has been arousing great interest in the area of developing new materials, mainly in the improvement of nanomaterials for pharmaceutical applications. The association of nanotechnology with cocrystallization constitutes a new class of materials called nano-cocrystals, which stands out as an area of research on the rise, since the combination of crystal engineering with nanotechnology can result in changes that allow modulate physicochemical properties in order to obtain improved and desired characteristics in new materials. In this context, pioglitazone was selected as a model compound, a drug belonging to the thiazolidinediones class and which has low aqueous solubility. Therefore, the main objective of this project is the production of molecular and ionic nano-cocrystals of the model compound, and the study of the synergism between cocrystallization and nanotechnology in modifying the physicochemical properties of the model compound. To this end, initially molecular and ionic cocrystals will be prospected through different synthesis methods and a detailed structural (SCRXD, DRXP), thermal (TG-DTA and DSC) and spectroscopic (FTIR) characterization will be carried out, as well as theoretical calculations ( DFT, NBO). From the nanomaterials formed, some physicochemical properties will be determined, such as solubility and dissolution rate. For the synthesis of nano-cocrystals, the mechanochemical method will be explored and optimized: a green and scalable chemistry method. The characterization of the nanoparticles will be carried out using the techniques described previously and adding the techniques of scanning electron microscopy (SEM) and dynamic light scattering (DLS) to evaluate the size, distribution and morphology of the nano-cocrystals. The solubility and dissolution rate will be determined to evaluate the synergistic effect between nanotechnology and cocrystallization. Finally, to understand the mechanisms of the mechanochemical process and, consequently, efficiently control the reaction parameters, investigations of the mechanochemical reactions employing the time-resolved in situ (TRIS) approach by powder X-ray diffraction using a synchrotron light source will be carried out. .