Abstract:
:Molecular dynamics simulations are performed on two hydrated dipalmitoylphosphatidylcholine bilayer systems: one with pure water and one with added NaCl. Due to the rugged nature of the membrane/electrolyte interface, ion binding to the membrane surface is characterized by the loss of ion hydration. Using this structural characterization, binding of Na(+) and Cl(-) ions to the membrane is observed, although the binding of Cl(-) is seen to be slightly weaker than that of Na(+). Dehydration is seen to occur to a different extent for each type of ion. In addition, the excess binding of Na(+) gives rise to a net positive surface charge density just outside the bilayer. The positive density produces a positive electrostatic potential in this region, whereas the system without salt shows an electrostatic potential of zero.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Pandit SA,Bostick D,Berkowitz MLdoi
10.1016/S0006-3495(03)75102-9subject
Has Abstractpub_date
2003-06-01 00:00:00pages
3743-50issue
6eissn
0006-3495issn
1542-0086pii
S0006-3495(03)75102-9journal_volume
84pub_type
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