ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Local Contact: Dr Svemir Rudic
Experimenter: Professor Jin-Chong Tan
Experimenter: Miss Barbara Souza
Experimenter: Miss Annika Felicia Möslein
Experimenter: Dr Mario Gutierrez Tovar

DOI: 10.5286/ISIS.E.RB1920025

ISIS Experiment Number: RB1920025

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Svemir Rudic et al; (2020): Mechanistic Investigation of Host-Guest Molecular Interactions of Drug Nanoconfined within the Pores of Metal Organic Frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920025

Data is released under the CC-BY-4.0 license.