The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Cholesterol Shows Preference for the Interior of Polyunsaturated Lipid Membranes
Open accessAbstract
Recent neutron scattering experiments showed a striking manifestation of the aversion between polyunsaturated fatty acid (PUFA)-containing lipids and cholesterol. Selectively deuterated cholesterol/ 1,2-diarachidonylphosphatidylcholine (DAPC) samples revealed that the hydroxyl of the sterol resides at the center of the bilayer. Here we use a recently parametrized coarse grain simulation model to shed light on these puzzling experimental observations. Using a simulation setup in close correspondence to the experimental conditions, we reproduce the experimental neutron scattering profiles to a large extent. The simulations allow us to analyze the behavior of cholesterol in detail; we show that the interaction of cholesterol with the PUFA chains of DAPC leads to a fast flip-flop rate for the sterol and an increased preference of the sterol for the unusual location embedded between the monolayer leaflets.
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Cites
Coarse Grained Model for Semiquantitative Lipid Simulations
Marrink, S. J., de Vries, A. H., & Mark, A. E. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp036508g · Cited by 2,257
Cited by
The power of coarse graining in biomolecular simulations
Ingólfsson, H. I., Lopez, C. A., Uusitalo, J. J., de Jong, D. H., Gopal, S. M., Periole, X., & Marrink, S. J. (2014) · WIREs Computational Molecular Science · doi:10.1002/wcms.1169 · Cited by 572
Self-citationLipids on the move: Simulations of membrane pores, domains, stalks and curves
Marrink, S. J., de Vries, A. H., & Tieleman, D. P. (2009) · Biochimica et Biophysica Acta (BBA) - Biomembranes · doi:10.1016/j.bbamem.2008.10.006 · Cited by 440
Self-citationPolyunsaturated fatty acid–cholesterol interactions: Domain formation in membranes
Wassall, S. R., & Stillwell, W. (2009) · Biochimica et Biophysica Acta (BBA) - Biomembranes · doi:10.1016/j.bbamem.2008.10.011 · Cited by 292
Self-citationMolecular View of Cholesterol Flip-Flop and Chemical Potential in Different Membrane Environments
Bennett, W. F. D., MacCallum, J. L., Hinner, M. J., Marrink, S. J., & Tieleman, D. P. (2009) · Journal of the American Chemical Society · doi:10.1021/ja903529f · Cited by 279
Self-citationFour-Scale Description of Membrane Sculpting by BAR Domains
Arkhipov, A., Yin, Y., & Schulten, K. (2008) · Biophysical Journal · doi:10.1529/biophysj.108.132563 · Cited by 254
Kučerka, N., Marquardt, D., Harroun, T. A., Nieh, M.-P., Wassall, S. R., de Jong, D. H., Schäfer, L. V., Marrink, S. J., & Katsaras, J. (2010) · Biochemistry · doi:10.1021/bi100891z · Cited by 112
Self-citationKučerka, N., Marquardt, D., Harroun, T. A., Nieh, M.-P., Wassall, S. R., & Katsaras, J. (2009) · Journal of the American Chemical Society · doi:10.1021/ja907659u · Cited by 54
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Metadata
- Authors
- Marrink, S. J., de Vries, A. H., Harroun, T. A., Katsaras, J., & Wassall, S. R.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2007-12-13
- Volume
- 130
- Issue
- 1
- Pages
- 10-11
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2080263214
- Cited by
- 208
- References
- 1
- FWCI
- 5.63
- Type
- journal article
- Language
- en
- Open access
- green
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