Coarse-Grained Model Simulations of Mixed-Lipid Systems: Composition and Line Tension of a Stabilized Bilayer Edge

@article{dejoannis06b, abstract = {Abstract: Bilayer disks and ribbons composed of a mixture of short- and long- tail phospholipids have been studied by molecular dynamics with a coarse-grained model. The effects of system composition on the edge structure, composition, and line tension were analyzed. Increases in the fraction of short-tail lipids tend to decrease the line tension (i.e., stabilize the edge) but not eliminate it. The short-tail lipid is generally enriched at the curved rim forming the bilayer edge, with an excess of 3 to 4 molecules per nanometer (relative to the bulk), but complete segregation was not observed. In all mixtures, a region depleted in the short-tail component occurs just before the edge, corresponding to a bulge in the bilayer thickness. The bulge and depletion are more prominent as the bilayer composition shifts toward a majority of short-tail lipids. In one case, a net excess of long-tail lipids at the edge was demonstrated, suggesting that certain circumstances give rise to a "segregation inversion" in which the long-tail lipid behaves as an edge stabilizer.}, address = {Department of Chemistry and Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322}, author = {Dejoannis, J. and Jiang, F. Y. and Kindt, J. T. }, citeulike-article-id = {1790180}, doi = {http://dx.doi.org/10.1021/la051278d}, journal = {Langmuir}, keywords = {simulation}, month = {January}, number = {3}, pages = {998--1005}, posted-at = {2007-10-19 19:54:18}, priority = {2}, title = {Coarse-Grained Model Simulations of Mixed-Lipid Systems: Composition and Line Tension of a Stabilized Bilayer Edge}, url = {http://dx.doi.org/10.1021/la051278d}, volume = {22}, year = {2006} }

TY - JOUR ID - dejoannis06b L3 - citeulike-article-id:1790180 TI - Coarse-Grained Model Simulations of Mixed-Lipid Systems: Composition and Line Tension of a Stabilized Bilayer Edge JF - Langmuir VL - 22 IS - 3 SP - 998 EP - 1005 AD - Department of Chemistry and Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 N2 - Abstract: Bilayer disks and ribbons composed of a mixture of short- and long- tail phospholipids have been studied by molecular dynamics with a coarse-grained model. The effects of system composition on the edge structure, composition, and line tension were analyzed. Increases in the fraction of short-tail lipids tend to decrease the line tension (i.e., stabilize the edge) but not eliminate it. The short-tail lipid is generally enriched at the curved rim forming the bilayer edge, with an excess of 3 to 4 molecules per nanometer (relative to the bulk), but complete segregation was not observed. In all mixtures, a region depleted in the short-tail component occurs just before the edge, corresponding to a bulge in the bilayer thickness. The bulge and depletion are more prominent as the bilayer composition shifts toward a majority of short-tail lipids. In one case, a net excess of long-tail lipids at the edge was demonstrated, suggesting that certain circumstances give rise to a "segregation inversion" in which the long-tail lipid behaves as an edge stabilizer. KW - simulation AU - Dejoannis, J AU - Jiang, FY AU - Kindt, JT PY - 2006/01/31/ UR - http://dx.doi.org/10.1021/la051278d ER -