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- W2049969655 abstract "We introduce a microscopic model of a lipid with a charged headgroup and flexible hydrophobic tails, a neutral solvent, and counter ions. Short-ranged interactions between hydrophilic and hydrophobic moieties are included as are the Coulomb interactions between charges. Further, we include a short-ranged interaction between charges and neutral solvent, which mimics the short-ranged, thermally averaged interaction between charges and water dipoles. We show that the model of the uncharged lipid displays the usual lyotropic phases as a function of the relative volume fraction of the headgroup. Choosing model parameters appropriate to dioleoylphosphatidylethanolamine in water, we obtain phase behavior that agrees well with experiment. Finally we choose a solvent concentration and temperature at which the uncharged lipid exhibits an inverted hexagonal phase and turn on the headgroup charge. The lipid system makes a transition from the inverted hexagonal to the lamellar phase, which is related to the increased waters of hydration correlated with the increased headgroup charge via the charge–solvent interaction. The polymorphism displayed upon variation of pH mimics that of the behavior of phosphatidylserine." @default.
- W2049969655 created "2016-06-24" @default.
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- W2049969655 date "2000-01-01" @default.
- W2049969655 modified "2023-09-26" @default.
- W2049969655 title "Theory of Lipid Polymorphism: Application to Phosphatidylethanolamine and Phosphatidylserine" @default.
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- W2049969655 doi "https://doi.org/10.1016/s0006-3495(00)76570-2" @default.
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