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- W2570843401 abstract "Biological membranes are heterogeneous structures with complex electrostatic profiles arising from lipids, sterols, membrane proteins, and water molecules. We investigated the effect of cholesterol and its derivative 6-ketocholestanol (6-kc) on membrane electrostatics by directly measuring the dipole electric field (F⃗d) within lipid bilayers containing cholesterol or 6-kc at concentrations of 0-40 mol% through the vibrational Stark effect (VSE). We found that adding low concentrations of cholesterol, up to ∼10 mol %, increases F⃗d, while adding more cholesterol up to 40 mol% lowers F⃗d. In contrast, we measured a monotonic increase in F⃗d as 6-kc concentration increased. We propose that this membrane electric field is affected by multiple factors: the polarity of the sterol molecules, the reorientation of the phospholipid dipole due to sterol, and the impact of the sterol on hydrogen bonding with surface water. We used molecular dynamics simulations to examine the distribution of phospholipids, sterol, and helix in bilayers containing these sterols. At low concentrations, we observed clustering of sterols near the vibrational probe whereas at high concentrations, we observed spatial correlation between the positions of the sterol molecules. This work demonstrates how a one-atom difference in a sterol changes the physicochemical and electric field properties of the bilayer." @default.
- W2570843401 created "2017-01-13" @default.
- W2570843401 creator A5021455589 @default.
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- W2570843401 creator A5050572384 @default.
- W2570843401 creator A5061593035 @default.
- W2570843401 creator A5081349407 @default.
- W2570843401 date "2017-01-26" @default.
- W2570843401 modified "2023-10-17" @default.
- W2570843401 title "Direct Measurement of the Effect of Cholesterol and 6-Ketocholestanol on the Membrane Dipole Electric Field Using Vibrational Stark Effect Spectroscopy Coupled with Molecular Dynamics Simulations" @default.
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- W2570843401 doi "https://doi.org/10.1021/acs.jpcb.6b09007" @default.
- W2570843401 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5398937" @default.
- W2570843401 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28071910" @default.
- W2570843401 hasPublicationYear "2017" @default.
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