Show simple item record

dc.contributor.authorDeplazes, Evelyne
dc.contributor.authorPoger, D.
dc.contributor.authorCornell, B.
dc.contributor.authorCranfield, C.
dc.identifier.citationDeplazes, E. and Poger, D. and Cornell, B. and Cranfield, C. 2017. The effect of hydronium ions on the structure of phospholipid membranes. Physical Chemistry Chemical Physics. 20 (1): pp. 357-366.

This work seeks to identify the mechanisms by which hydronium ions (H 3 O + ) modulate the structure of phospholipid bilayers by studying the interactions of H 3 O + with phospholipids at the molecular level. For this, we carried out multiple microsecond-long unrestrained molecular dynamics (MD) simulations of a POPC bilayer at different H 3 O + concentrations. The results show that H 3 O + accumulates at the membrane surface where it displaces water and forms strong and long-lived hydrogen bonds with the phosphate and carbonyl oxygens in phospholipids. This results in a concentration-dependent reduction of the area per lipid and an increase in bilayer thickness. This study provides an important molecular-level insight into the mechanism of how H 3 O + modulates the structure of biological membranes and is a critical step towards a better understanding of the effect of low pH on mammalian and bacterial membranes.

dc.publisherR S C Publications
dc.titleThe effect of hydronium ions on the structure of phospholipid membranes
dc.typeJournal Article
dcterms.source.titlePhysical Chemistry Chemical Physics
curtin.departmentSchool of Pharmacy and Biomedical Sciences
curtin.accessStatusOpen access

Files in this item


This item appears in the following Collection(s)

Show simple item record
Except where otherwise noted, this item's license is described as