Fig. 5: Theoretical calculation of POD-like and HPO-like ROS catalytic reaction pathways. | Nature Communications

Fig. 5: Theoretical calculation of POD-like and HPO-like ROS catalytic reaction pathways.

From: Hedgehog artificial macrophage with atomic-catalytic centers to combat Drug-resistant bacteria

Fig. 5: Theoretical calculation of POD-like and HPO-like ROS catalytic reaction pathways.

a Electron density difference image of H2O2 adsorption structure on Fe2N6O. Yellow contours indicate electron accumulation, and cyan contours denote electron deletion. b Proposed reaction path and c corresponding free energy diagrams of reaction path 1 and other two potential reaction paths toward generating •O2− as POD-mimics. d Proposed reaction path and e the free energy diagrams toward generating HClO as HPO-mimics. Atom colors: orange, Fe; gray, C; blue, N; red, O; white, H; and green, Cl. Source data are provided as a Source Data file.

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