Molecular Decomposition of the Area Compressibility Modulus of Lipid Membranes
- 1Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31-4, Leninsky prospect, 119071 Moscow, Russia
Abstract
The area compressibility modulus is a key descriptor of lipid membrane mechanics, but the molecular interactions that determine this elasticity are not evident from the total modulus alone. Here, molecular dynamics simulations of a POPC bilayer described by the coarse-grained Martini 3 force field were combined with virial stress analysis to decompose the area compressibility modulus into contributions from molecular groups and their interactions. Partial lateral tensions were evaluated as functions of membrane area strain, and their derivatives at the equilibrium state were used to obtain the corresponding contributions to the area compressibility modulus. Hydrocarbon chains provided the dominant positive contribution, accounting for approximately 70% of the total modulus, whereas water–lipid interactions contributed approximately 30%, predominantly through water–headgroup interactions. Within the bilayer, the headgroup and headgroup–chain contributions were of similar magnitude but opposite in sign and nearly canceled. Direct intermonolayer interactions contributed only about 2% of the total modulus, indicating an almost additive elastic response of the two monolayers. The hierarchy of elastic contributions differed markedly from that of equilibrium partial tensions, showing that the interactions responsible for static stress balance are not necessarily those governing membrane stiffness. This decomposition provides a microscopic interpretation of lipid bilayer area elasticity.
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BibTeX
@article{pinigin2026molecular,
title = {{Molecular Decomposition of the Area Compressibility Modulus of Lipid Membranes}},
author = {Konstantin V. Pinigin},
journal = {Biomolecules},
year = {2026},
month = nov,
doi = {10.3390/biom16111585},
url = {https://www.mdpi.com/2218-273X/16/11/1585},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Molecular Decomposition of the Area Compressibility Modulus of Lipid Membranes
AU - Konstantin V. Pinigin
PY - 2026
DA - 2026/11/01
JO - Biomolecules
DO - 10.3390/biom16111585
UR - https://www.mdpi.com/2218-273X/16/11/1585
AB - The area compressibility modulus is a key descriptor of lipid membrane mechanics, but the molecular interactions that determine this elasticity are not evident from the total modulus alone. Here, molecular dynamics simulations of a POPC bilayer described by the coarse-grained Martini 3 force field were combined with virial stress analysis to decompose the area compressibility modulus into contributions from molecular groups and their interactions. Partial lateral tensions were evaluated as functions of membrane area strain, and their derivatives at the equilibrium state were used to obtain the corresponding contributions to the area compressibility modulus. Hydrocarbon chains provided the dominant positive contribution, accounting for approximately 70% of the total modulus, whereas water–lipid interactions contributed approximately 30%, predominantly through water–headgroup interactions. Within the bilayer, the headgroup and headgroup–chain contributions were of similar magnitude but opposite in sign and nearly canceled. Direct intermonolayer interactions contributed only about 2% of the total modulus, indicating an almost additive elastic response of the two monolayers. The hierarchy of elastic contributions differed markedly from that of equilibrium partial tensions, showing that the interactions responsible for static stress balance are not necessarily those governing membrane stiffness. This decomposition provides a microscopic interpretation of lipid bilayer area elasticity.
SN - 2218-273X
ER -