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Quantifying dynamical heterogeneity length scales of interface water across model membrane phase transitions.

Sheeba MalikSmarajit KarmakarAnanya Debnath
Published in: The Journal of chemical physics (2023)
All-atom molecular dynamics simulations of 1,2-dimyristoyl-sn-glycero-3-phosphocholine lipid membranes reveal a drastic growth in the heterogeneity length scales of interface water (IW) across fluid to ripple to gel phase transitions. It acts as an alternate probe to capture the ripple size of the membrane and follows an activated dynamical scaling with the relaxation time scale solely within the gel phase. The results quantify the mostly unknown correlations between the spatiotemporal scales of the IW and membranes at various phases under physiological and supercooled conditions.
Keyphrases
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