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The set-up of reversible binding interactions between the hydrophobic region of macrocyclic GBCAs (Gadolinium Based Contrast Agents) and SO 3  - /OH containing pyrene derivatives provides new insights for pursuing relaxivity enhancements of this class of MRI contrast agents. The strong binding affinity allows attaining relaxation enhancements up to 50% at pyrene/GBCA ratios of 3 : 1. High resolution NMR spectra of the Yb-HPDO3A/pyrene system fully support the formation of a supramolecular adduct based on the set-up of hydrophobic interactions. The relaxation enhancement may be accounted for in terms of the increase of the molecular reorientation time ( τ  R ) and the number of second sphere water molecules. This effect is maintained in blood serum and in vivo , as shown by the enhancement of contrast in T  1w -MR images obtained by simultaneous injection of GBCA and pyrene derivatives in mice.

chemical science

Supramolecular adducts between macrocyclic Gd(<scp>iii</scp>) complexes and polyaromatic systems: a route to enhance the relaxivity through the formation of hydrophobic interactions

Supramolecular adducts between macrocyclic Gd(iii) complexes and polyaromatic systems: a route to enhance the relaxivity through the formation of hydrophobic interactions