Author: Pedro A. Sánchez-murcia

0000000001311048

AUTHOR

Pedro A. Sánchez-murcia

Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.

Quantum chemical and multiscale calculations reveal the mechanistic pathway of two superoxide dismutase mimetic N-alkylated tetra-azacyclophane copper complexes with remarkable activity. The arrangement of the binding site afforded by the bulky alkyl substituents and the coordinated water molecule as a proton source play key roles in the reaction mechanism.

research product

CCDC 1982975: Experimental Crystal Structure Determination

Related Article: Álvaro Martínez-Camarena, Pedro A. Sánchez-Murcia, Salvador Blasco, Leticia González, Enrique García-España|2020|Chem.Commun.|56|7511|doi:10.1039/D0CC01926G

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