The structure of aqueous guanidinium chloride solutions

Journal of the American Chemical Society

Volumn 126, Issue 37, 2004, Pages 11462-11470

  Mason, Philip E ^a   Neilson, George W ^b   Enderby, John E ^b   Saboungi, Marie Louise ^c   Dempsey, Christopher E ^b   MacKerell Jr , Alexander D ^d   Brady, John W ^a  

^a Department of Molecular Biology and Genetics   (United States)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

^c Ctr de Rech sur la Matiere Divi   (France)

^d UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDRATION; HYDROGEN BONDS; HYDROPHOBICITY; ISOTOPES; NEUTRON DIFFRACTION; POSITIVE IONS; PROTEINS; SUBSTITUTION REACTIONS;

DENATURANT; GUANIDINIUM CHLORIDE; ISOTOPIC SUBSTITUTION; MOLECULAR DYNAMIC (MD) SIMULATIONS;

SOLUTIONS;

GUANIDINE; WATER;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL STRUCTURE; CONCENTRATION (PARAMETERS); HYDRATION; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NEUTRON DIFFRACTION; NEUTRON SCATTERING; SIMULATION; SUBSTITUTION REACTION; SURFACE PROPERTY; TEMPERATURE;

CATIONS; COMPUTER SIMULATION; GUANIDINE; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NEUTRON DIFFRACTION; SOLUTIONS; WATER;

EID: 4544325461     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja040034x     Document Type: Article

References (50)

1. Parsegian, V. A. Nature 1995, 378, 335-336.
2. Baldwin, R. L. Biophys. J. 1996, 71, 2056-2063.
3. Mason, P. E.; Neilson, G. W.; Dempsey, C. E.; Barnes, A. C.; Cruickshank, J. M. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 4557-4561.
4. Franks, F. In Water: A Comprehensive Treatise, Franks, F., Ed.; Plenum Press: New York, 1973; Vol. 2, pp 1-54.
5. Ohtaki, H.; Radnai, T. Chem. Rev. 1993, 93, 1157-1204.
6. Sidhu, K. S.; Goodfellow, J. M.; Turner, J. Z. J. Chem. Phys. 1999, 110, 7943-7950.
7. Liu, Q.; Brady, J. W. J. Am. Chem. Soc. 1996, 118, 12276-12286.
8. Schmidt, R. K.; Karplus, M.; Brady, J. W. J. Am. Chem. Soc. 1996, 118, 541-546.
9. Galema, S. A.; Holland, H. J. Phys. Chem. 1991, 95, 5321-5326.
10. Galema, S. A.; Howard, E.; Engberts, J. B. F. N.; Grigera, J. R. Carbohydr. Res. 1994, 265, 215-225.
11. Suggett, A. In Water: A Comprehensive Treatise; Franks, F., Ed.; Plenum: New York, 1975; Vol. 4, pp 519-567.
12. Mashimo, S.; Miura, N.; Umehara, T. J. Chem. Phys. 1992, 97, 6759-6765.
13. Omta, A. W.; Kropman, M. F.; Woutersen, S.; Bakker, H. J. Science 2003, 301, 347-349.
14. Mason, P. E.; Neilson, G. W.; Barnes, A. C.; Enderby, J. E.; Brady, J. W.; Saboungi, M.-L. J. Chem. Phys. 2003, 119, 3347-3353.
15. Kuharski, R. A.; Rossky, P. J. J. Am. Chem. Soc. 1984, 106, 5794-5800.
16. Kuharski, R. A.; Rossky, P. J. J. Am. Chem. Soc. 1984, 106, 5786-5793.
17. Enderby, J. E.; Neilson, G. W. Rep. Prog. Phys. 1981, 44, 593-653.
18. Neilson, G. W.; Enderby, J. E. Proc. R. Soc. London 1983, A390, 353-371.
19. Neilson, G. W.; Enderby, J. E. Adv. Inorg. Chem, 1989, 34, 195-218.
20. Broadbent, R. D.; Neilson, G. W. J. Chem. Phys. 1994, 100, 7543-7547.
21. Sullivan, D. M.; Neilson, G. W.; Fischer, H. E. J. Chem. Phys. 2001, 115, 339-343.
22. Barnes, A. C.; Neilson, G. W.; Enderby, J. E. J. Mol. Liq. 1995, 65/66, 99-106.
23. Turner, J. Z.; Soper, A. K.; Finney, J. L. J. Chem. Phys. 1995, 102, 5438-5443.
24. Soper, A. K.; Luzar, A. J. Phys. Chem. 1996, 100, 1357-1367.
25. Azuaga, A. I.; Canet, D.; Smeenk, G.; Berends, R.; Titgemeijer, F.; Duurkens, R.; Mateo, P. L.; Scheek, R. M.; Robillard, G. T.; Dobson, C. M.; van Nuland, N. A. J. Biochemistry 2003, 42, 4883-4895.
26. Boudon, S.; Wipff, G.; Maigret, B. J. Phys. Chem. 1990, 94, 6056-6061.
27. Soetens, J.-C.; Millot, C.; Chipot, C.; Jansen, G.; Ángyán, J. G.; Maigret, B. J. Phys. Chem. B 1997, 101, 10910-10917.
28. Pettitt, B. M.; Rossky, P. J. J. Chem. Phys. 1986, 84, 5836-5844.
29. Dang, L. X.; Pettitt, B. M. J. Chem. Phys. 1987, 86, 6560-6561.
30. Ansell, S.; Neilson, G. W. J. Chem. Phys. 2000, 112, 3942-3944.
31. Neilson, G. W.; Enderby, J. E. J. Phys. Chem. 1996, 100, 1317-1322.
32. MacKerell, A. D.; Bashford, D.; Bellott, M.; Dunbrack, R. L.; Evanseck, J. D.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, W. E; Roux, B.; Schlenkrich, M.; Smith, J. C.; Stole, R.; Straub, J.; Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. J. Phys. Chem. B 1998, 102, 3586-3616.
33. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926-935.
34. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187-217.
35. van Gunsteren, W. F.; Berendsen, H. J. C. Mol. Phys. 1977, 34, 1311-1327.
36. Darden, T.; York, D.; Pedersen, L. J. Chem. Phys. 1993,98, 10089-10092.
37. Neilson, G. W.; Mason, P. E.; Ramos, S.; Sullivan, D. Philos. Trans. R. Soc. London 2001, A359 (1785), 1575-1591.
38. Powell, D. H.; Gullidge, P. M. N.; Neilson, G. W.; Bellissent-Funel, M.-C. Mol. Phys. 1990, 71, 1107-1116.
39. Powell, D. H.; Neilson, G. W.; Enderby, J. E. J. Phys.: Condens. Matter 1993, 5, 5723-5730.
40. Brady, J. W. Forefronts/Cornell Theory Center 1993, 9, 7.
41. Humphrey, W.; Dalke, A.; Schulten, K. J. Mol. Graphics 1996, 14, 33-38.
42. Guàrdia, E.; Rey, R.; Padró, J. A. J. Chem. Phys. 1991, 95, 2823-2831.
43. Dang, L. X.; Pettitt, B. M.; Rossky, P. J. J. Chem. Phys. 1992, 96, 4046-4047.
44. Angelini, T. E.; Liang, H.; Wriggers, W.; Wong, G. C. L. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 8634-8637.
45. Flocco, M. M.; Mowbray, S. L. J. Mol. Biol. 1994, 235, 709-717.
46. Rapaport, D. C. Mol. Phys. 1983, 50, 1151-1162.
47. Zou, Q.; Habermann-Rottinghaus, S. M.; Murphy, K. P. Proteins 1998, 31, 107-115.
48. Makhatadze, G. I.; Privalov, P. L. J. Mol. Biol. 1992, 226, 491-505.
49. Dixit, S.; Crain, J.; Poon, W. C. K.; Finney, J. L.; Soper, A. K. Nature 2002, 416, 829-832.
50. Soper, A. K. Mol. Phys. 2001, 99, 1503-1516.