Fig.4.

(A) Molecular simulation of 1.4nm TPPMS-coated Au55 nanocluster docking to the intracellular hERG channel: bare Au₅₅ core without TPPMS ligands (left), Au₅₅ partially covered with 6 TPPMS ligands (middle), and Au₅₅ covered with 12 TPPMS ligands (right). (B) Simulation of Au₅₅ and Au₁₃ clusters interacting with the major grooves of energy-minimized B-DNA and A-DNA, respectively. (C) Schematic representation of the energy transfer from a 600nm emission center to a 810nm emission center on one ultrasmall dual-emissive GS-AuNP (top); luminescence spectra of the dual-emissive GS-AuNPs in PBS buffer at various pH values (bottom). (Adapted or reprinted with permissions from National Academy of Sciences for (A) Ref. [156], John Wiley and Sons for (B) Ref. [155] and (C) Ref. [160].)