We investigated the interaction between xenon and a paramagnetic self-assembled molecular capsule by hyperpolarized (hp) 129Xe magnetic resonance spectroscopy. Careful design of metal centers enabled favorable exchange kinetics of Xe, resulting in picomolar detection of capsule via hp 129Xe chemical exchange saturation transfer (hyper-CEST) NMR spectroscopy. The exchange rate of Xe was estimated to be comparable to the best reported hyper-CEST sensors. The paramagnetically-shifted 129Xe resonance was characterized and verified by a suite of physical methods such as hp 129Xe NMR and magnetometry. Furthermore, the Xe-encapsulated complex was characterized by X-ray structural analysis showing a single Xe atom occupying an unusually large hydrophobic cavity, which is consistent with fast Xe exchange. Several paramagnetic metal-organic capsules developed in our laboratory are promising platforms for developing 129Xe magnetic resonance sensors.

Metal-organic capsule-based 129Xe magnetic resonance sensors

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.