Mechanistic Investigation of Host-Guest Molecular Interactions of Drug Nanoconfined within the Pores of Metal Organic Frameworks

We propose to employ the TOSCA spectrometer to preform inelastic neutron scattering of novel biocomposite systems, designated as “drug@MOF”. The aim is to measure the detailed vibrational spectra of a porous hybrid framework (host) such as ZIF-8, encapsulating a guest molecule, such as aspirin, caffeine, and 5-FU anticancer drugs. The proposed experiments will enable us to study the effects of host crystal morphology and pore configurations have on the confinement of drug molecules of different sizes. The results will reveal host-guest interactions associated with framework distortions and pore confinement effects, which will be central to the development of drug encapsulation and delivery strategies.