Molecular aggregates in aqueous solutions of bile acid salts. Molecular dynamics simulation study

Journal of Physical Chemistry B

Volumn 111, Issue 33, 2007, Pages 9886-9896

  Pártay, Lívia B ^a   Jedlovszky, Pál ^a   Sega, Marcello ^b  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITY OF TRENTO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; MICELLES; MOLECULAR DYNAMICS; OLIGOMERS; PHASE EQUILIBRIA; SALTS; THERMODYNAMIC PROPERTIES;

BILE ACID SALTS; BILE IONS; MOLECULAR AGGREGATES; THERMODYNAMIC EQUILIBRIUM;

SOLUTIONS;

EID: 34548569335     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072974k     Document Type: Article

References (43)

1. Fontell, K. The Micellar Structure of Bile Salt Solutions. In Surface Chemistry; Ekwall, P., Groth, K., Runnström-Reio, V., Eds.; Munksgaard: Copenhagen, 1965; pp 252-267.
2. Matsuoka, K.; Moroi, Y. Biochim. Biophys. Acta 2002, 189, 1580.
3. Small, D. M.; Penkett, S. A.; Chapman, D. Biochim. Biophys. Acta 1969, 176, 178.
4. Funasaki, N.; Fukuba, M.; Kitagawa, T.; Nomura, M.; Ishikawa, S.; Hirota, S.; Neya, S. J. Phys. Chem. B 2004, 108, 438.
5. Li, G.; McGown, L. B. J. Phys. Chem. 1994, 98, 13711.
6. Oakenfull, D. G.; Fisher, L. R. J. Phys. Chem. 1977, 81, 1838.
7. Zana, R. J. Phys. Chem. 1978, 82, 2440.
8. Oakenfull, D. G.; Fisher, L. R. J. Phys. Chem. 1978, 82, 2443.
9. Oakenfull, D. G.; Fisher, L. R. J. Phys. Chem. 1980, 84, 936.
10. Ventaketusan, P.; Cheng, Y.; Kahne, D. J. Am. Chem. Soc. 1994, 116, 6955.
11. Carey, M. C.; Small, D. M. J. Colloid Interface Sci. 1969, 31, 382.
12. Kawamura, H., Murata, H.; Yamaguchi, Y.; Igimi, T.; Tanaka, H.; Sugihara, M.; Kratohvil, G. J. P. J. Phys. Chem. 1989, 93, 3321.
13. Hinze, W. L.; Hu, W.; Quina, F. H.; Mohammadzai, I. U. Bile Acid/Salt Surfactant Systems: General Properties and Survey of Analytical Applications. In Organized Assemblies in Chemical Analysis; Hinze, W. L., Ed.; JAI Press: Stamford, CT, 2000; Vol. 2, pp 1-70.
14. Furusawa, T.; Matuura, R. Hyomen Gujutsu 1967, 5, 749.
15. Cabral, D. J.; Small, D. M. In Handbook of Physiology; Schultz, S. G., Forte, J. G., Rauner B. B., Eds.; Waverly Press: New York, 1989; Vol. 3, pp 621-662.
16. Fini, A.; Feroci, G.; Roda, A. Polyhedron 2002, 21, 1421.
17. Roda, A.; Hofmann, A. F.; Myseles, K. J. J. Biol. Chem. 1983, 258, 6362.
18. Small, D. M. The Physical Chemistry of Cholanic Acids. In Chemistry; The Bile Acids; Nair, P. P., Kritchevsky, D., Eds.; Plenum Press: New York, 1971; Vol. 1, Ch. 8.
19. Allen, M. P.; Tildesley, D. J. Computer Simulations of Liquids; Clarendon Press: Oxford, 1987.
20. Karaborni, S.; O'Connell, J. P. J. Phys. Chem. 1990, 94, 2624.
21. Sterpone, F.; Briganti, G.; Pierleoni, C. Langmuir 2001, 17, 5103.
22. Garde, S.; Yang, L.; Dordick, J. S.; Paulaitis, M. E. Mol. Phys. 2002, 100, 2299.
23. Balasubramanian, S.; Bagchi, B. J. Phys. Chem. B 2002, 106, 3668.
24. Pal, S.; Balasubramanian, S.; Bagchi, B. J. Chem. Phys. 2002, 117, 2852.
25. Pal, S.; Balasubramanian, S.; Bagchi, B. J. Phys. Chem. B 2003, 107, 5194.
26. Chong, T. T.; Hashim, R.; Bryce, R. A. J. Phys. Chem. B 2006, 110, 4978.
27. Yoshii, N.; Iwahashi, K.; Okazaki, S. J. Chem. Phys. 2006, 124, 184901.
28. Marrink, S. J.; Mark, A. E. Biochemistry 2002, 41, 5375.
29. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
30. Höltje, M.; Forster, T.; Brandt, B.; Engels, T.; von Rybinski, W.; Höltje, H. D. Biochim. Biophys. Acta 2001, 1511, 156.
31. van Gunsteren, W.; Berendsen, H. J. C. Groningen Molecular Simulation (GROMOS) Library Manual; Biomos: Groningen, The Netherlands, 1987.
32. Lindahl, E.; Hess, B.; van der Spoel, D. J. Mol. Model. 2001, 7, 306.
33. Berendsen, H. J. C.; Postma, J. P. M.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.
34. Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. J. Comput. Chem. 1997, 18, 1463.
35. Miyamoto, S.; Kollman, P. A. J. Comput. Chem. 1992, 13, 952.
36. Essman, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577.
37. Mezei, M.; Beveridge, D. L. J. Chem. Phys. 1981, 74, 622.
38. Pálinkás, G.; Hawlicka, E.; Heinzinger, K. J. Phys. Chem. 1987, 97, 4334.
39. Ferrario, M.; Haughney, M.; McDonald, I. R.; Klein, M. L J. Chem. Phys. 1990, 93, 5156.
40. Chelli, R.; Righini, R.; Califano, S. J. Phys. Chem. B 2005, 109, 17006.
41. Oleinikova, A.; Brovchenko, I.; Geiger, A.; Guillot, B. J. Chem. Phys. 2002, 117, 3296.
42. Pártay, L.; Jedlovszky, P. J. Chem. Phys. 2005, 123, 24502.
43. Reis, S.; Guimarães Moutinho, C.; Matos, C.; de Castro, B.; Gameiro, P.; Lima, J. L. F. C. Anal. Biochem. 2004, 334, 117 and references therein.