Simulation of the gel-fluid transition in a membrane composed of lipids with two connected acyl chains: application of a dimer-move step.

Abstract:

:Phospholipids have been treated as dimers on a hexagonal lattice, and a move has been introduced that allows the dimers to move and change their orientation on the lattice. Simulations have been performed in which phospholipid chains have been treated as being either independent or infinitely coupled thermodynamically with regard to their conformational state. Both types of simulation have reproduced well experimental heat-capacity curves of dipalmitoyl phosphatidylcholine small unilamellar vesicles. Apart from a different gel-fluid interaction parameter and a different number of unlike nearest-neighbor contacts, most of the averages and thermodynamic quantities were essentially the same in the two types of simulation. These results indicate that the transition is not first order and validate those of previous Monte Carlo simulations that have neglected the dimeric nature of phospholipids in the sense that they show that for the thermotropic transition the approximation of phospholipids as monomers is valid.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Jerala R,Almeida PF,Biltonen RL

doi

10.1016/S0006-3495(96)79261-5

subject

Has Abstract

pub_date

1996-08-01 00:00:00

pages

609-15

issue

2

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(96)79261-5

journal_volume

71

pub_type

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