The energetic barrier to single-file water flow through narrow channels.

ABSTRACT: Various nanoscopic channels of roughly equal diameter and length facilitate single-file diffusion at vastly different rates. The underlying variance of the energetic barriers to transport is poorly understood. First, water partitioning into channels so narrow that individual molecules cannot overtake each other incurs an energetic penalty. Corresponding estimates vary widely depending on how the sacrifice of two out of four hydrogen bonds is accounted for. Second, entropy differences between luminal and bulk water may arise: additional degrees of freedom caused by dangling OH-bonds increase entropy. At the same time, long-range dipolar water interactions decrease entropy. Here, we dissect different contributions to Gibbs free energy of activation, ΔG ^‡, for single-file wa

SUBMITTER: Pfeffermann J 

PROVIDER: S-EPMC8724168 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature