TY - JOUR
T1 - Theoretical study of intermolecular interaction at the lipid-water interface. 2. Analysis based on the Poisson-Boltzmann equation
AU - Tamagawa, Hirohisa
AU - Sakurai, Minoru
AU - Inoue, Yoshio
AU - Ariga, Katsuhiko
AU - Kunitake, Toyoki
N1 - Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 1997/6/12
Y1 - 1997/6/12
N2 - 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.
AB - 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.
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U2 - 10.1021/jp9700600
DO - 10.1021/jp9700600
M3 - Article
AN - SCOPUS:0040271412
VL - 101
SP - 4817
EP - 4825
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
SN - 1520-6106
IS - 24
ER -