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. Author manuscript; available in PMC: 2018 Jun 20.
Published in final edited form as: Acc Chem Res. 2009 Jul 21;42(7):915–924. doi: 10.1021/ar8002738

FIGURE 4.

FIGURE 4

(A) The Hanes-like CEST plot and (B) CEST–concentration calibration for (C) Yb–1,4,7,10-tetraazacyclododecane-N,N′,N″-triacetic acid-N‴-orthoaminoanilide (Yb–DO3A-oAA).6 The molecular model was constructed using CS MOPAC Pro v. 8.0 within Chem3D Ultra v. 8.0. A metal atom was inserted in the binding pocket of the model, and metal–ligand distances were constrained during final energy minimization with the MM2 force field.