Counterion binding in the aqueous solutions of bile acid salts, as studied by computer simulation methods

Langmuir

Volumn 24, Issue 19, 2008, Pages 10729-10736

  Pârtay, Lívia B ^a   Sega, Marcello ^b,c   Jedlovszky, Pál ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITY OF TRENTO   (Italy)

^c FRANKFURT INSTITUTE FOR ADVANCED STUDIES   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDS; COLLOIDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CONCENTRATION (PROCESS); DYNAMICS; ELECTROLYSIS; KETONES; MAGNETIC RESONANCE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; RESONANCE; SOLUTIONS; SOLVENTS; SYSTEMS ENGINEERING;

AQUEOUS SOLUTIONS; ATOMISTIC LEVELS; BILE ACIDS; COUNTERION BINDINGS; COUNTERIONS; DEGREE OF CONTACTS; DYNAMICAL PROPERTIES; ELECTRODE POTENTIALS; EXPERIMENTAL TECHNIQUES; FREEZING POINT DEPRESSIONS; MOLECULAR DYNAMICS SIMULATIONS; SODIUM CHOLATES; SODIUM DEOXYCHOLATE;

EXPERIMENTS;

BILE ACID; CATION; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; PROBABILITY; SOLUTION AND SOLUBILITY;

BILE ACIDS AND SALTS; CATIONS; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROBABILITY; SOLUTIONS; WATER;

EID: 54549113280     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la801352d     Document Type: Article

References (40)

1. Fontell, K. The micellar structure of bile salt solutions. In Surface Chemistry; Ekwall, P., Groth, K., Runnström-Reio, V., Eds.; Munksgaard: Copenhagen, Denmark, 1965; pp 252-267.
2. Hinze, W. L.; Hu, W.; Quina, F. H.; Mohammadzai, I. U. Bile acid/salt surfactant systems: General properties and survey of analytical applications. In OrganizedAssemblies in Chemical Analysis; Hinze, W. L., Ed.; JAI Press: Stamford, CT, 2000; Vol. 2, pp 1-70.
3. Furusawa, T.; Matuura, R. Myomen 1967, 5, 749.
4. 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.
5. 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, Chapter 8.
6. Li, G.; McGown, L. B. J. Phys. Ghem. 1994, 98, 13711.
7. Oakenfull, D. G.; Fisher, L. R. J. Phys. Chem. 1977, 81, 1838.
8. Zana, R. J. Phys. Chem. 1978, 82, 2440.
9. Oakenfull, D. G.; Fisher, L. R. J. Phys. Chem. 1978, 82, 2443.
10. Oakenfull, D. G.; Fisher, L. R. J. Phys. Chem. 1980, 84, 936.
11. Venkatesan, P.; Cheng, Y.; Kahne, D. J. Am. Chem. Soc. 1994, 116, 6955.
12. Pártay, L. B.; Sega, M.; Jedlovszky, P.J. Phys. Chem. B2007, 111, 9886.
13. Pârtay, L. B.; Sega, M.; Jedlovszky, P. Langmuir 2007, 23, 12322.
14. Pàrtay, L. B.; Sega, M.; Jedlovszky, P. Prog. Colloid Polym. Sci., manuscript accepted for publication.
15. Marrink, S. J.; Mark, A. E. Biochemistry 2002, 41, 5375.
16. Nakashima, T.; Iwahashi, K.; Okazaki, S. Chem. Phys. Lett. 2006, 420, 489.
17. Stephenson, B. C.; Goldsipe, A.: Blankschtein, D. J. Phys. Chem. 2008, 112, 2357.
18. Warren, D. B.; Chalmers, D. K.; Hutchison, K.; Dang, W.; Pouton, C. W. Colloid Surf., A 2006, 280, 182.
19. Fontell, K. The micellar structure of bile salt solutions. In Surface Chemistry; Ekwall, P., Groth, K., Runnström-Reio, V., Eds.; Munksgaard: Copenhagen, Denmark, 1965; pp 252-267.
20. Gilânyi, T. J. Colloid Interface Sci. 1988, 125, 641.
21. Akisada, H. J. Colloid Interface Sci. 2001, 240, 323.
22. Srinivasan, V.; Blankschtein, D. Y. Langmuir 2003, 19, 9932.
23. Gilányi, T.; Horvâth-Szabó, G. Colloids Surf. 1991, 57, 273.
24. Bandyopadhyay, A.; Moulik, S. P. Colloid Polym. Sci. 1988, 266, 455.
25. Frahm, J.; Diekman, S.; Haase, A. Ber. Bunsen Ges. 1980, 84, 566.
26. Ninomiya, R.; Matsuoka, K.; Moroi, Y. Biochim. Biophys. Acta 2003, 1634, 116.
27. Matsuoka, K.; Moroi, Y. Biochim. Biophys. Acta 2002, 1580, 189.
28. Sugioka, H.; Matsuoka, K.; Moroi, Y. J. Colloid Interface Sci. 2003, 259, 156.
29. Gustavsson, H.; Lindman, B. J. Am. Chem. Soc. 1975, 97, 3923.
30. Sugihara, G.; Yamakawa, K.; Murata, Y.; Tanaka, M. J. Phys. Chem. 1982, 86, 2784.
31. Coello, A.; Meijide, F.; Nouez, E. R.; Tato, J. V. J. Phys. Chem. 1993, 97, 10186.
32. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
33. Höltje, M.; Forster, T.; Brandt, B.; Engels, T.; von Rybinski, W.; Höltje, H. D. Biochim. Biophys. Acta 2001, 1511, 156.
34. Hermans, J.; Berendsen, H. J. C.; van Gunsteren, W. F.; Postma, J. P. M. Biopolymers 1984, 23, 1513.
35. van Gunsteren, W.; Berendsen, H. J. C. Groningen Molecular Simulation (GROMOS) Library Manual; Biomos: Groningen, The Netherlands, 1987.
36. Lindahl, E.; Hess, B.; van der Spoel, D. J. Mol. Model. 2001, 7, 306.
37. Berendsen, H. J. C.; Postma, J. P. M.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684.
38. Miyamoto, S.; Kollman, P. A. J. Comput. Chem. 1992, 13, 952.
39. Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. J. Comput. Chem. 1997, 18, 1463.
40. Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577.