Generic Mechanism for Pattern Formation in the Solvation Shells of Buckminsterfullerene.

ABSTRACT: Accurate description of solvation structure of a hydrophobic nanomaterial is of immense importance to understand protein folding, molecular recognition, drug binding, and many related phenomena. Moreover, spontaneous pattern formation through self-organization of solvent molecules around a nanoscopic solute is fascinating and useful in making template-directed nanostructures of desired morphologies. Recently, it has been shown using polarizable atomistic models that the hydration shell of a buckminsterfullerene can have atomically resolved ordered structure, in which C₆₀ atomic arrangement is imprinted. In analyzing any peculiar behavior of water, traditionally, emphasis has been placed on the long-ranged and orientation-dependent interactions in it. Here, we show through molecu

SUBMITTER: Pantawane S 

PROVIDER: S-EPMC6641439 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature