Using theoretical calculations to predict the redox potential of mononuclear manganese complexes

Author:

Puzzolo Juan L.123ORCID,Drusin Salvador I.45673ORCID,Daier Verónica A.12389ORCID,Signorella Sandra12389ORCID,Moreno Diego M.12389ORCID

Affiliation:

1. Instituto de Química Rosario (IQUIR, CONICET-UNR)

2. Rosario S2002LRK

3. Argentina

4. Instituto de Biología Molecular y Celular de Rosario (IBR, CONICET-UNR)

5. Ocampo y Esmeralda

6. predio CCT

7. Rosario 2000

8. Área Química General e Inorgánica

9. Facultad de Ciencias Bioquímicas y Farmacéuticas

Abstract

Prediction of redox potential allows chemists to rationally design metal complexes with a desired redox activity.

Funder

Consejo Nacional de Investigaciones Científicas y Técnicas

Universidad Nacional de Rosario

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Reference34 articles.

1. Mechanistic Bioinorganic Chemistry , ed. H. H. Thorp and V. L. Pecoraro , American Chemical Society , New York , 1995

2. I. Pálinkó , in Inorganic Biochemistry Research Progress , ed. J. G. Hughes and A. J. Robinson , Nova Science Publishers , New York , 2008 , pp. 282–303

3. Manganese complexes displaying superoxide dismutase activity: A balance between different factors

4. On the selectivity of superoxide dismutase mimetics and its importance in pharmacological studies

5. Bleach and oxidation catalysis by manganese–1,4,7-triazacylononane complexes and hydrogen peroxide

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