title: Visualizing cyclic peptide hydration at the single-molecule level.
abstract: The role of water molecules in the selective transport of potassium ions across cell membranes is important. Experimental investigations of valinomycin-water interactions remain huge challenge due to the poor solubility of valinomycin in water. Herein, we removed this experimental obstacle by introducing gaseous water and valinomycin onto a Cu(111) surface to investigate the hydration of valinomycin. By combining scanning tunneling microscopy (STM) with density functional theory (DFT) calculations, we revealed that water could affect the adsorption structure of valinomycin. Hydrogen bond interactions occurred primarily at the carbonyl oxygen of valinomycin and resulted in the formation of valinomycin hydrates. The single-molecule perspective revealed in our investigation could provide new insight into the role of water on the conformation transition of valinomycin, which might provide a new molecular basis for the ion transport mechanism at the water/membrane interface.
authors: National Center for Nanoscience and Technology, China, Beijing 100190, PR China.
authors: Yumin
authors: Y
authors: Chen
authors: Ke
authors: K
authors: Deng
authors: Xiaohui
authors: X
authors: Qiu
authors: Chen
authors: C
authors: Wang
mesh_terms: D003198:Computer Simulation; D007090:Image Interpretation, Computer-Assisted / Q000379:methods*; D016252:Microscopy, Scanning Tunneling / Q000379:methods*; D008956:Models, Chemical; D057054:Molecular Imaging / Q000379:methods*; D010456:Peptides, Cyclic / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D010456:Peptides, Cyclic; D014867:Water
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