Changes in water structure induced by a hydrophobic solute probed by simulation of the water hydrogen bond angle and radial distribution functions

Biophysical Chemistry

Volumn 78, Issue 1-2, 1999, Pages 33-41

  Madan, Bhupinder ^a   Sharp, Kim ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Heat capacity; Hydration; Hydrophobic effect; Solvation

Indexed keywords

TETRAMETHYLAMMONIUM;

COMPUTER SIMULATION; CONFERENCE PAPER; HYDRATION; HYDROGEN BOND; PRIORITY JOURNAL; SOLUBILIZATION; TEMPERATURE; WATER STRUCTURE;

ALGORITHMS; COMPUTER SIMULATION; HYDROGEN; HYDROGEN BONDING; MOLECULAR CONFORMATION; MONTE CARLO METHOD; OXYGEN; QUATERNARY AMMONIUM COMPOUNDS; SOLUTIONS; TEMPERATURE; WATER;

EID: 0033045501     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-4622(98)00227-0     Document Type: Conference Paper

References (37)

1. Frank H.S., Evans M.W. J. Chem. Phys. 13:1945;507.
2. Miller K., Hildebrand J. JACS. 90:1968;3001.
3. Cabani S., Gianni P., Mollica V., Lepori L. J. Soln. Chem. 10:1981;563-595.
4. Marcus Y. Biophys. Chem. 51:1994;111-128.
5. Ben-Naim A., Marcus Y. J. Chem. Phys. 81:1984;2016-2027.
6. Edsall J.T. JACS. 57:1935;1506-1507.
7. Makhatadze G., Privalov P. J. Mol. Biol. 213:1990;375-384.
8. Murphy K.P., Privalov P.L., Gill S.J. Science. 247:1990;559-561.
9. Murphy K., Gill S. Therm. Acta. 172:1990;11-20.
10. C.H. Tanford, The Hydrophobic Effect, John Wiley and Sons, New York, 1980.
11. W. Luck, in: F. Franks (Ed.), Water: A Comprehensive Treatise, vol. 2, Plenum, New York, 1973, pp. 235-314.
12. M. Blandamer, M. Fox, in: F. Franks (Ed.), Water: A Comprehensive Treatise, vol. 2, Plenum Press, New York, 1973, pp. 459-492.
13. J. Enderby, G. Neilson, in: F. Franks (Ed.), Water: A Comprehensive Treatise, vol. 6, Plenum Press, New York, 1979, pp. 1-45.
14. Turner J. Mol. Phys. 70:1990;679-700.
15. Turner J., Soper A., Finney J. J. Chem. Phys. 102:1995;5438-5443.
16. Turner J., Soper A. J. Chem. Phys. 101:1994;6116-6125.
17. Frank H.S., Wen W.Y. Discuss. Faraday Soc. 24:1957;133.
18. Tobias D., Brooks C.L. J. Chem. Phys. 92:1989;2582-2592.
19. Wallqvist A. Chem. Phys. Lett. 182:1991;237-241.
20. Pangali C., Rao M., Berne B. J. Chem. Phys. 71:1979;2982-2990.
21. Mezei M., Beveridge D. J. Chem. Phys. 74:1981;622-632.
22. Rossky P.J., Karplus M. J. Am. Chem. Soc. 101:1978;1913.
23. Lee C.Y., McCammon J.A., Rossky P.J. Chem. Phys. 80:1984;4448.
24. Cheng Y.-K., Rossky P.J. Nature. 392:1998;696-699.
25. Swope W.C., Anderson H.C. J. Phys. Chem. 88:1984;6548-6556.
26. Fleischmann S., Brooks C. J. Chem. Phys. 87:1987;3029-3037.
27. Lazaridis T., Paulaitis M. J. Phys. Chem. 96:1992;3847-3855.
28. Lazaridis T., Paulaitis M. J. Phys. Chem. 98:1994;635-642.
29. Rice S.A., Sceats M.G. J. Phys. Chem. 85:1981;1108-1119.
30. Henn A.R., Kauzmann W. J. Phys. Chem. 93:1989;3770-3783.
31. Madan B., Sharp K.A. J. Phys. Chem. 100:1996;7713-7721.
32. Madan B., Sharp K.A. J. Phys. Chem. 101:1997;11237-11242.
33. Sharp K.A., Madan B. J. Phys. Chem. 101:1997;4343-4348.
34. Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., Klein M.L. J. Chem. Phys. 79:1983;926.
35. Jorgensen W.L., Tirado-Rives J. J. Am. Chem. Soc. 110:1988;1657-1666.
36. W.L. Jorgensen, in: BOSS, Version 3.3, Copyright Yale University, New Haven, CT, 1992.
37. R.E. Verrall, in: F. Franks (Ed.), Water: A Comprehensive Treatise, vol. 3, Plenum Press, New York, 1973.