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. 1994;1(2-3):279–287. doi: 10.1155/MBD.1994.279

2D NMR Methods for Structural Delineation of Copper(II) Complexes of Penicillin and Pilocarpine

Elena Gaggelli 1, Nicola Gaggelli 1, Gianni Valensin 1,✉
PMCID: PMC2364899  PMID: 18476239

Abstract

A method was developed for delineating the structure of paramagnetic metal complexes. The selective disappearance of cross-peaks in proton-carbon shift correlated 2D NMR maps was shown to uniquely depend upon the scalar and/or dipolar interaction between ligand nuclei and the unpaired electron(s), thus providing a means of identifying binding sites. Copper(II) was shown to form metal complexes with both Penicillin (PNC) and Pilocarpine (PLC) and the structure of the two 1:2 complexes in water solution at physiological pH were determined.

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