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

Research output: Contribution to journalArticle

80 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
Publication statusPublished - Jun 12 1997
Externally publishedYes

Fingerprint

Boltzmann equation
Lipids
lipids
Monolayers
Theoretical Models
Surface charge
Water
water
Air
interactions
Charge density
Permittivity
permittivity
continuums
air
approximation

All Science Journal Classification (ASJC) codes

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

Cite this

Theoretical study of intermolecular interaction at the lipid-water interface. 2. Analysis based on the Poisson-Boltzmann equation. / Tamagawa, Hirohisa; Sakurai, Minoru; Inoue, Yoshio; Ariga, Katsuhiko; Kunitake, Toyoki.

In: Journal of Physical Chemistry B, Vol. 101, No. 24, 12.06.1997, p. 4817-4825.

Research output: Contribution to journalArticle

Tamagawa, Hirohisa ; Sakurai, Minoru ; Inoue, Yoshio ; Ariga, Katsuhiko ; Kunitake, Toyoki. / Theoretical study of intermolecular interaction at the lipid-water interface. 2. Analysis based on the Poisson-Boltzmann equation. In: Journal of Physical Chemistry B. 1997 ; Vol. 101, No. 24. pp. 4817-4825.
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