Theoretical study of intermolecular interaction at the lipid-water interface. 2. Analysis based on the Poisson-Boltzmann equation

Hirohisa Tamagawa, Minoru Sakurai, Yoshio Inoue, Katsuhiko Ariga, Toyoki Kunitake

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87 Citations (Scopus)

Abstract

The interaction between a lipid monolayer with positive surface charges and anionic species dissolved in the aqueous phase is investigated using the Poisson-Boltzmann equation. The monolayer and the aqueous phase are approximated by dielectric continuums whose dielectric constants are 2 and 80, respectively. It is assumed that positive charges are periodically distributed on the interface formed by the two dielectrics. For such a system, the Poisson-Boltzmann equation is analytically solved with the Debye-Hiickel approximation. It is indicated that the potential on the water side is significantly modulated by the presence of the lipid phase. This effectively contributes to a strengthening of intermolecular interaction near or on the interface. In addition, the interaction depends on the surface charge density on the monolayer. Combining these findings and the results of a previous quantum chemical study (Part 1 in a series of our studies), we discuss the reason why intermolecular binding is enhanced at the air-water interface.

Original languageEnglish
Pages (from-to)4817-4825
Number of pages9
JournalJournal of Physical Chemistry B
Volume101
Issue number24
DOIs
Publication statusPublished - Jun 12 1997
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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