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By analyzing the shortest path between cytochrome c (Cytc) and single-walled carbon nanotubes (SWNTs), the study investigated electron transfer mechanism. By simplifying the snapshots model of SWNT(10, 10)-(Cytc) at 10 ns, the charge density of the simplified model was calculated by using quantum mechanics simulation and the charge density image was drawn. On the basis, the study discussed and verified the electron transfer mechanism and paths between Cytc and SWNTs at the optimal localization. The result revealed that the electrons were transferred to Cytc protein from the surfaces of SWNTs through Cys18.

The Electron Transfer Path Between Cytochrome C and Single-walled Carbon Manotubes Based on Quantum Mechanics