Nuovi MOF basati su ligando pirazolico: struttura Cristallina e valutazione Biologica (NMPCB)

The aim of the project is to crystallize new heterocyclic ligand-based MOFs with antimicotical and antibiotical activity. The Project Tasks will be: 1) Synthesis of new MOFs via a clusterization reaction of metals with simple heterocyclic ligand (such as pyrazole and his derivatives); 2) Structure characterization via Single Crystal X-Ray Diffraction (SCXRD): structure solution and refinement by SIR2019 and SHELXL2014, respectively. If no single crystals of suitable size (i.e., fractions of mm) but only microcrystals will be obtained, the structure solution will be carried out by Powder X-Ray Diffraction (PXRD) via EXPO2014; 3) From samples obtained at Project Task n. 2, trials to prepare nanoparticles (NPs) in solution, will be performed and the estimation of the size distribution will be obtained by Dynamic Light Scattering (DLS); 4) Biological tests based on antifungal and antibacterial activities screening will be carried out on NPs as prepared at Project Task n. 3; 5) DFT calculations aimed at improving or validate the geometry of the crystal structure; 6) Hirschfeld Surface Analysis to have insights on drug-biomolecule interactions.