Xenon-129 (Xe-129), an inert gas, has promising applications in magnetic resonance imaging (MRI) and spectroscopy (MRS) due to its ½ nuclear spin. Especially with its large size and highly sensitive electron cloud, hyperpolarized xenon acts as a powerful tool to describe the relationship between Xe-129’s nucleus and its environment resulting in its large chemical shifts. Hence, current research involves learning about xenon-binding cages that could enhance today’s Xe-129 biosensors.

Compared to cryptophanes and other capsules, self-assembled iron-organic capsules are easily synthesizable with high yields in one step. However, these iron-organic cages are less explored as functionalized contrast agents for Xe-129 biosensors.

Therefore, in this project, we investigate the unique properties of the fluorinated iron-organic cage (Fe4L6F) and the ways we can functionalize the cage for biologically relevant applications. Additionally, Fe4L6F helps demonstrates the potential ligand exchange that can be conducted to ultimately create a heteroleptic cage that binds to specific proteins. This allows for current MRI technologies to dramatically improve and even detect early signs of tumor growth with incredible accuracy.