ISIS Neutron and Muon Source Data Journal

Degree of Host-Guest Molecular Interactions from Nanoscale Confinement of Drugs in the Pores of Metal-Organic Frameworks

Abstract: The nanoscale pores in metal-organic frameworks (MOFs) can be exploited to confine small molecular guests to yield Guest@MOF composite systems. One interesting avenue is to encapsulate drug molecules via nanoconfinement in the MOF pores, and triggering release on demand. However, there are challenges both in the capture and controlled release of guests. To this end, we would like to perform inelastic neutron scattering measurements at TOSCA to gain a better understanding of the underpinning mechanisms. The objectives are: (i) To determine the modification in collective terahertz vibrations, as a means to quantify the extent of host-guest confinement interaction; (ii) To study the role of size effects employing a systematic series of drug molecules; (iii) To elucidate how the binding of drug molecules to open metal sites may affect the broadband vibrational dynamics of drug@MOF systems.

Principal Investigator: Professor Jin-Chong Tan
Local Contact: Dr Svemir Rudic
Experimenter: Miss Bárbara Souza
Experimenter: Mr Kirill Titov
Experimenter: Miss Annika Felicia Möslein
Experimenter: Miss Barbara Souza

DOI: 10.5286/ISIS.E.RB1910059

ISIS Experiment Number: RB1910059

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:
Professor Jin-Chong Tan et al; (2019): Degree of Host-Guest Molecular Interactions from Nanoscale Confinement of Drugs in the Pores of Metal-Organic Frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1910059

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