Role of hydrogen bonds in the fast dynamics of binary glasses of trehalose and glycerol: A molecular dynamics simulation study

Journal of Chemical Physics

Volumn 122, Issue 11, 2005, Pages

  Dirama, Taner E ^a   Carri, Gustavo A ^a   Sokolov, Alexei P ^a  

^a The University of Akron   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONCENTRATION (PROCESS); ENZYMES; GLASS TRANSITION; GLYCEROL; HYDROGEN BONDS; MICROSCOPIC EXAMINATION; MOLECULAR DYNAMICS; THERMAL EFFECTS;

BINARY GLASSES; MICROSCOPIC MECHANISM; SHORT-TIME DYNAMICS; TREHALOSE;

GLASS;

GLASS; GLYCEROL; TREHALOSE;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; KINETICS; MOTION;

BINDING SITES; COMPUTER SIMULATION; GLASS; GLYCEROL; HYDROGEN BONDING; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOTION; TREHALOSE;

EID: 18644379953     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1870872     Document Type: Article

References (40)

1. R. Mouradian, C. Womersley, L. M. Crowe, and J. H. Crowe, Biochim. Biophys. Acta 778, 614 (1984).
2. J. F. Carpenter and J. H. Crowe, Biochemistry 28, 3916 (1989).
3. J. F. Carpenter, S. J. Prestrelski, and T. Arakawa, Arch. Biochem. Biophys. 303, 456 (1993).
4. J. L. Green and C. A. Angell, J. Phys. Chem. 93, 2880 (1989).
5. C. A. Angell, in Hydrogen-Bonded Liquids, edited by, J. C. Dore, and, J. Teixeira, (Kluwer, Dordrecht, 1991), Vol. 329, pp. 59-79.
6. L. N. Bell, M. J. Hageman, and L. M. Muraoka, J. Pharm. Sci. 84, 707 (1995).
7. S. P. Duddu, G. Zang, and P. R. Dal Monte, Pharm. Res. 14, 596 (1997).
8. W. Wang, Int. J. Pharm. 203, 1 (2000).
9. M. P. Buera, S. Rossi, S. Moreno, and J. Chirife, Biotechnol. Prog. 15, 577 (1999).
10. P. Davidson and W. Q. Sun, Pharm. Res. 18, 474 (2001).
11. M. T. Cicerone, A. Tellington, L. Trost, and A. Sokolov, Bioprocess International 1, 36 (2003).
12. J. H. Crowe, L. M. Crowe, and D. Chapman, Science 223, 701 (1984).
13. B. Roser, Trends Food Sci. Technol. 2, 166 (1991).
14. S. D. Allison, B. Chang, T. W. Randolph, and J. F. Carpenter, Arch. Biochem. Biophys. 365, 289 (1999).
15. K. Tanaka, T. Takeda, and K. Miyajima, Int. J. Cardiol. 39, 1091 (1991).
16. J. L. Cleland, X. Lam, B. Kendrick, J. Pharm. Sci. 90, 310 (2001).
17. S. Magazu, G. Maisano, H. D. Middendorf, P. Migliardo, A. M. Musolino, and M. Villari, J. Phys. Chem. B 102, 2060 (1998).
18. C. A. Angell, Science 267, 1924 (1995).
19. S. Magazu, P. Migliardo, A. M. Musolino, and M. T. Sciortino, J. Phys. Chem. B 101, 2348 (1997).
20. D. P. Miller, J. J. de Pablo, and H. Cort, Pharm. Res. 14, 578 (1997).
21. M. C. Donnamaria, E. I. Howard, and J. R. Grigera, J. Chem. Soc., Faraday Trans. 90, 2731 (1994).
22. Q. Liu, R. K. Schmidt, B. Teo, P. A. Karplus, and J. W. Brady, J. Am. Chem. Soc. 119, 7851 (1997).
23. G. Bonanno, R. Noto, and S. L. Fornilli, J. Chem. Soc., Faraday Trans. 94, 2755 (1998).
24. P. B. Conrad and J. J. de Pablo, J. Phys. Chem. A 103, 4049 (1999).
25. M. T. Cicerone and C. L. Soles, Biophys. J. 86, 3836 (2004).
26. A. P. Sokolov, E. Rossler, A. Kisliuk, and D. Quitmann, Phys. Rev. Lett. 71, 2062 (1993).
27. G. Caliskan, D. Mechtani, S. Azzam, J. Chem. Phys. 121, 1978 (2004).
28. P. W. Fenimore, H. Frauenfelder, B. H. McMahon, and F. G. Parak, Proc. Natl. Acad. Sci. U.S.A. 99, 16047 (2002).
29. A. Paciaroni, S. Cinelli, and G. Onori, Biophys. J. 83, 1157 (2002).
30. J. Wang, R. M. Wolf, J. W. Caldwell, P. A. Kollman, and D. A. Case, J. Comput. Chem. 25, 1157 (2004).
31. D. A. Case, D. A. Pearlman, J. W. Caldwell, AMBER7 (University of California, San Francisco, 2002).
32. G. M. Brown, D. C. Rohrer, B. Berking, C. A. Beevers, R. O. Gould, and R. Simpson, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 28, 3145 (1972).
33. H. van Koningsveld, Recl. Trav. Chim. Pays-Bas 87, 243 (1968).
34. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision A.1 Gaussian, Inc., Pittsburgh PA, 2003.
35. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).
36. L. Xu, X. Hu, and R. Lin, J. Solution Chem. 32, 363 (2003).
37. J. Zang and G. Zografi, J. Pharm. Sci. 90, 1375 (2001).
38. M. Mezei and J. Beveridge, J. Chem. Phys. 74, 622 (1981).
39. R. Surana, A. Pyne, and R. Suryanarayanan, Pharm. Res. 21, 1167 (2004).
40. W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics 13, 33 (1996).