Gd(III) and Yb(III) Complexes Derived from a New Water-Soluble Dioxopolyazacyclohexane Macrocycle.

ABSTRACT: A new macrocyclic ligand was synthesized by a reaction between diethylenetriaminepentaacetic (DTPA) dianhydride and trans-1,4-diaminocyclohexane, and the Gd(III) and Yb(III) complexes were prepared. The compounds were characterized by spectroscopic methods. Structural calculation by DFT shows that the amide linkages are arranged in such a way that a conformational strain is minimized in the macrocyclic frame. The coordination modes of the ligand and water in the metal complexes were also determined by DFT. The longitudinal relaxation time T₁ was measured for aqueous solutions of the Gd(III) complex. The T₁ relaxivity arises from the structural feature that a water molecule coordinated to the paramagnetic metal is surrounded by a large open space,

SUBMITTER: Navarro RE 

PROVIDER: S-EPMC10536832 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature