Theoretical study of intermolecular interaction at the lipid-water interface. 1. Quantum chemical analysis using a reaction field theory

Journal of Physical Chemistry B

Volumn 101, Issue 24, 1997, Pages 4810-4816

  Sakurai, Minoru ^a   Tamagawa, Hirohisa ^a   Inoue, Yoshio ^a   Ariga, Katsuhiko ^b   Kunitake, Toyoki ^b  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000611517     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9700591     Document Type: Article

References (31)

1. Huang, C-Y.; Cabell, L. A.; Anslyn, E. V. J. Am. Chem. Soc. 1994, 116, 2778-2792.
2. Furuta, H.; Magda, D.; Sessler, J. L. J. Am. Chem. Soc. 1991, 113, 978-985.
3. Ikeura, Y.; Kurihara, K.; Kunitake, T. J. Am. Chem. Soc. 1991, 113, 7342-7350.
4. Kimura, E.; Kodama, M.; Yatsunami, T. J. Am. Chem. Soc. 1982, 104, 3182-3187.
5. Rebek, J., Jr.; Askew, B.; Ballester, P.; Buhr, C.; Jones, S.; Nemeth, D.; Williams, K. J. Am. Chem. Soc. 1987, 109, 5033-5035.
6. Hanessian, S.; Gomtsyan, A.; Simard, M.; Roelens, S. J. Am. Chem. Soc. 1994, 116, 4495-4496.
7. Nowick, J. S.; Chen, J. S. J. Am. Chem. Soc. 1992, 114, 1107-1108.
8. Nowick, J. S.; Chen, J. S.; Noronha, G. J. Am. Chem. Soc. 1993, 115, 7636-7644.
9. Nowick, J. S.; Cao, T.; Noronha, G. J. Am. Chem. Soc. 1994, 116, 3285-3289.
10. Bonar-Law, R. P. J. Am. Chem. Soc. 1995, 117, 12397-12407.
11. Sasaki, D. Y.; Kurihara, K.; Kunitake, T. J. Am. Chem. Soc. 1991, 113, 9685-9686.
12. Sasaki, D. Y.; Yanagi, M.; Kurihara, K.; Kunitake, T. Thin Solid Films 1992, 210/211, 776-779.
13. Eliseev, A. V.; Schneider, H. J. Am. Chem. Soc. 1994, 116, 6081-6088.
14. Cha, X.; Ariga, K.; Onda, M.; Kunitake, T. J. Am. Chem. Soc. 1995, 117, 11833-11838.
15. Cha, X.; Ariga, K.; Kunitake, T. Bull Chem. Soc. Jpn. 1996, 69, 163-168.
16. Cha, X.; Ariga, K.; Kunitake, T. Chem. Lett. 1996, 73.
17. Sasaki, D. Y.; Kurihara, K.; Kunitake, T. J. Am. Chem. Soc. 1992, 114, 10994-10995.
18. Kurihara, K.; Ohto, K.; Honda, Y.; Kunitake, T. J. Am. Chem. Soc. 1991, 113, 5077-5079.
19. Springs, B.; Haake, P. Bioorg.Chem. 1977, 6, 181-190.
20. Hoshi, H.; Sakurai, M.; Inoue, Y.; Chujo, R. J. Chem. Phys. 1987, 87, 1107-1115.
21. Hoshi, H.; Sakurai, M.; Inoue, Y.; Chujo, R. J. Mol. Struct. (THEOCHEM) 1988, 180, 267-281.
22. Furuki, T.; Hosokawa, F.; Sakurai, M.; Inoue, Y.; Chujo, R. J. Am. Chem. Soc. 1993, 115, 2903-2911.
23. Sakurai, M.; Hoshi, H.; Inoue, Y.; Chujo, R. Chem. Phys. Lett. 1989, 163, 217-220.
24. Recently, our solvation theory has been developed so as to be able to optimize the geometry of a molecule dissolved in a dielectric continuum. However, it is not easy to apply the optimization method to the heterogeneous medium as shown in Figure 4. Here, in order to treat both cases of homogeneous and heterogeneous continuums with the uniform level of approximation, we used the geometries optimized in vacuo.
25. Dewer, M. J. S.; Zoebisch, E. G.; Healg, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902-3909.
26. Bocker, J.; Schlenkrich, M.; Bopp, P.; Brickmann, J. J. Phys. Chem. 1992, 96, 9915-9922.
27. Tarek, M.; Tobias, D. J.; Klein, M. L. J. Phys. Chem. 1995, 99, 1393-1402.
28. Raghavan, K.; Reddy, M. R.; Berkwitz, M. L. Langmuir 1992, 8, 233-240.
29. Smart, J. L.; McCammon, J. A. J. Am. Chem. Soc. 1996, 118, 2283-2284.
30. Sanders, C. R., II; Schwonek, J. P. Biophys. J. 1993, 65, 1207-1218.
31. Wiener, M. C.; White, S. H. Biophys. J. 1992, 61, 434-447.