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Quantifying dynamical heterogeneity length scales of interface water across model membrane phase transitions
Sheeba Malik1, Smarajit Karmakar2, Ananya Debnath1
1Department of Chemistry, IIT Jodhpur, Jodhpur, Rajasthan, India.
Abstract:
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.
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