Beltran-Torres, Melissa Sugich-Miranda, Rocío Santacruz-Ortega, Hisila Machi, Lorena Inoue, Motomichi Velázquez-Contreras, Enrique F. Soberanes, Yedith Höpfl, Herbert Pérez-González, Refugio Navarro, Rosa Elena Salazar-Medina, Alex J. Sotelo Mundo, Rogerio R. Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue With the objective of studying the conformational and macrocyclic effects of selected metal chelates on their peroxidase activities, Cu<sup>2+</sup> and Fe<sup>3+</sup> complexes were synthesized with a macrocyclic derivative of ethylenediaminetetraacetic acid and <i>o</i>-phenylenediamine (abbreviated as edtaodH<sub>2</sub>) and its new open-chain analogue (edtabzH<sub>2</sub>). The Fe<sup>3+</sup> complex of edtaodH<sub>2</sub> has a peroxidase-like activity, whereas the complex of edtabzH<sub>2</sub> does not. The X-ray study of the former shows the formation of a dimeric molecule {[Fe­(edtaod)]<sub>2</sub>O} in which each metal with an octahedral coordination is overposed over the macrocyclic cavity, as a result of rigid macrocyclic frame, to form an Fe–O–Fe bridge; the exposure of the central metal to the environment facilitates the capture of oxygen to drive the biomimetic activity. The peroxidase-inactive Fe<sup>3+</sup> complex consists of a mononuclear complex ion [Fe­(edtabz)­(H<sub>2</sub>O)]<sup>+</sup>, the metal ion of which is suited in a distorted pentagonal bipyramid to be protected from environmental oxygen. The copper­(II) complexes, which have mononuclear structures with high thermodynamic stability compared with the iron­(III) complexes, show no peroxidase activity. The steric effects play a fundamental role in the biomimetic activity. biomimetic activity;edtaodH 2;Fe;complex;macrocyclic;edtabzH 2 2019-12-18
    https://acs.figshare.com/articles/dataset/Comparative_Studies_of_Structures_and_Peroxidase-like_Activities_of_Copper_II_and_Iron_III_Complexes_with_an_EDTA-Based_Phenylene-Macrocycle_and_Its_Acyclic_Analogue/11400192
10.1021/acsomega.9b03164.s003