O2 binding to cytochrome c oxidase-inspired nanomaterials

• Main Authors: Tsuda, Muneyuki, David, Melanie Y., Kasai, Hideaki
• Format: text
• Published: Animo Repository 2006
• Subjects: Cytochrome oxidase; Heme; Iron; Porphyrins; Copper; Oxygen; Density functionals; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/6771
• Institution: De La Salle University

We investigate O2 binding to cytochrome c oxidase (CcO)-inspired nanomaterials using ab initio density functional calculations. We consider iron-porphyrin (FeP) and copper-(imidazole)3 [Cu(Im)3] as a representative of the active binuclear center, and explore the effect of the Cu(Im)3 on the FeP–O2 a...