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Biophys J, August 2001, p. 725-736, Vol. 81, No. 2
*Unilever Research Vlaardingen, 3130 AC Vlaardingen, The
Netherlands, and Unilever Research Port
Sunlight, Bebington, Wirral CH63 3JW, United Kingdom
A new simulation method, dissipative particle dynamics,
is applied to model biological membranes. In this method, several atoms
are united into a single simulation particle. The solubility and
compressibility of the various liquid components are reproduced by the
simulation model. When applied to a bilayer of
phosphatidylethanolamine, the membrane structure obtained matches
quantitatively with full atomistic simulations and with experiments
reported in the literature. The method is applied to investigate the
cause of cell death when bacteria are exposed to nonionic surfactants.
Mixed bilayers of lipid and nonionic surfactant were studied, and the
diffusion of water through the bilayer was monitored. Small transient
holes are seen to appear at 40% mole-fraction
C9E8, which become permanent holes between 60 and 70% surfactant. When C12E6 is applied,
permanent holes only arise at 90% mole-fraction surfactant. Some
simulations have been carried out to determine the rupture properties
of mixed bilayers of phosphatidylethanolamine and
C12E6. These simulations indicate that the area
of a pure lipid bilayer can be increased by a factor 2. The inclusion
of surfactant considerably reduces both the extensibility and the
maximum stress that the bilayer can withstand. This may explain why
dividing cells are more at risk than static cells.
Biophys J, August 2001, p. 725-736, Vol. 81, No. 2
© 2001 by the Biophysical Society 0006-3495/01/08/725/12 $2.00
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