Secondly, by the electrochemical detection of NO, the NO-scavenging efficiency of each compound was evaluated, and was found to vary based on the final compound structure, aggregation behaviour and its tendency to interact with proteins in solution. These interactions were examined theoretically employing the electronic states [Fe(II)-NO] + (S = 0) and Fe(III)-NO (S = 3/2). While the first state helps understand the mechanism of binding between each compound and NO, the second one can indicate the reactivity in physiological fluids in the presence of macromolecules such as proteins and polymers.