dorsal/arxiv
View SchemaStructural Effects of Small Molecules on Phospholipid Bilayers Investigated by Molecular Simulations
| Authors | Bryan W. Lee, Roland Faller, Amadeu K. Sum, Ilpo Vattulainen, Michael Patra, Mikko Karttunen |
|---|---|
| Categories | |
| ArXiv ID | physics/0407083 |
| URL | https://arxiv.org/abs/physics/0407083 |
| Journal | Fluid Phase Equilibria 225 63-68 (2004) |
Abstract
We summarize and compare recent Molecular Dynamics simulations on the interactions of dipalmitoylphosphatidylcholine (DPPC) bilayers in the liquid crystalline phase with a number of small molecules including trehalose, a disaccharide of glucose, alcohols, and dimethylsulfoxide (DMSO). The sugar molecules tend to stabilize the structure of the bilayer as they bridge adjacent lipid headgroups. They do not strongly change the structure of the bilayer. Alcohols and DMSO destabilize the bilayer as they increase its area per molecule in the bilayer plane and decrease the order parameter. Alcohols have a stronger detrimental effect than DMSO. The observables which we compare are the area per molecule in the plane of the bilayer, the membrane thickness, and the NMR order parameter of DPPC hydrocarbon tails. The area per molecule and the order parameter are very well correlated whereas the bilayer thickness is not necessarily correlated with them.
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"abstract": "We summarize and compare recent Molecular Dynamics simulations on the\ninteractions of dipalmitoylphosphatidylcholine (DPPC) bilayers in the liquid\ncrystalline phase with a number of small molecules including trehalose, a\ndisaccharide of glucose, alcohols, and dimethylsulfoxide (DMSO). The sugar\nmolecules tend to stabilize the structure of the bilayer as they bridge\nadjacent lipid headgroups. They do not strongly change the structure of the\nbilayer. Alcohols and DMSO destabilize the bilayer as they increase its area\nper molecule in the bilayer plane and decrease the order parameter. Alcohols\nhave a stronger detrimental effect than DMSO. The observables which we compare\nare the area per molecule in the plane of the bilayer, the membrane thickness,\nand the NMR order parameter of DPPC hydrocarbon tails. The area per molecule\nand the order parameter are very well correlated whereas the bilayer thickness\nis not necessarily correlated with them.",
"arxiv_id": "physics/0407083",
"authors": [
"Bryan W. Lee",
"Roland Faller",
"Amadeu K. Sum",
"Ilpo Vattulainen",
"Michael Patra",
"Mikko Karttunen"
],
"categories": [
"physics.bio-ph"
],
"journal_ref": "Fluid Phase Equilibria 225 63-68 (2004)",
"title": "Structural Effects of Small Molecules on Phospholipid Bilayers Investigated by Molecular Simulations",
"url": "https://arxiv.org/abs/physics/0407083"
},
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