With the rise of higher-field magnetic resonance imaging (MRI) instruments in the clinical setting, there is a significant need for a new generation of MRI contrast agents (CA) that feature both high relaxivities at 60-125 MHz and significant stability in vivo. A new tris(2-aminoethyl)amine (TREN) hydroxypyridinone (HOPO) has been synthesized and complexed with Gd(III) (for use as a T1 contrast agent) and Fe(III) (for use as a T2 contrast agent.) The both complexes exhibit strong relaxivities; geometries and q values for each complex were calculated with full DFT of the complete system and relevant solvent molecules, providing further support for these new systems as potential candidates for the next generation of contrast agents.

Synthesis, characterization, and theoretical description of novel gadolinium and iron HOPO-based MRI contrast agents

243rd National Meeting (2012)

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