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We explore charge transfer in the telomere G-Quadruplex (TG4) DNAtheoretically by the nonequilibrium Green's function method, and reveal thetopological effect of charge transport in TG4 DNA. The consecutive TG4(CTG4) issemiconducting with 0.2 ~ 0.3eV energy gap. Charges transfers favorably in theconsecutive TG4, but are trapped in the non-consecutive TG4 (NCTG4). The globalconductance is inversely proportional to the local conductance for NCTG4. Thetopological structure transition from NCTG4 to CTG4 induces abruptly ~ 3nAcharge current, which provide a microscopic clue to understand the telomeraseactivated or inhibited by TG4. Our findings reveal the fundamental property ofcharge transfer in TG4 and its relationship with the topological structure ofTG4.

Topological effects of charge transfer in telomere G-quadruplex: Mechanism on telomerase activation and inhibition