A semi-empirical method for the estimation of the hydration number of Mn(II)-complexes

A semi-empirical equation to estimate the hydration number of Mn(II) complexes was derived from a database of 49 previously published ¹H longitudinal Nuclear Magnetic Relaxation Dispersion profiles. This equation has the longitudinal ¹H relaxivity and the molecular weight of the Mn(II) complex under consideration as...

The reliability of parameters obtained by fitting of ¹H NMRD profiles and ¹⁷O NMR data of potential Gd³⁺-based MRI contrast agents

Synthetic variable temperature ¹H NMRD profiles and ¹⁷O NMR relaxation and shift data were generated with a model based on the Solomon-Bloembergen-Morgan and Freed theories and then fitted simultaneously or individually. The effects of the fitting procedure and of experimental uncertainties on the resulting best-fit...