Influence of temperature and viscosity on anthracene rotational diffusion in organic solvents: Molecular dynamics simulations and fluorescence anisotropy study

Journal of Chemical Physics

Volumn 107, Issue 21, 1997, Pages 8800-8812

  Jas, Gouri S ^a,b   Wang, Yan ^a   Pauls, Steven W ^a   Johnson, Carey K ^a   Kuczera, Krzysztof ^a  

^a UNIVERSITY OF KANSAS   (United States)

^b NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; CALCULATIONS; COMPUTER SIMULATION; FLUORESCENCE; MOLECULAR DYNAMICS; MOLECULES; ORGANIC SOLVENTS; STRUCTURE (COMPOSITION); THERMAL EFFECTS; VISCOSITY;

ANTHRACENE; CYCLOHEXANE; DEBYE-STOKES-EINSTEIN THEORY; DIFFUSION COEFFICIENT; FLUORESCENCE DEPOLARIZATION; MOLECULAR DYNAMIC SIMULATION; PROPANOL; ROTATIONAL DIFFUSION;

DIFFUSION;

EID: 0031360833     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475172     Document Type: Article

References (83)

1. H. J. Parkhurst, Jr. and J. Jonas, J. Chem. Phys. 63, 2698 (1975).
2. J. Jonas and J. A. Akai, J. Chem. Phys. 66, 4956 (1977).
3. G. T. Evans, J. Chem. Phys. 88, 5035 (1988).
4. D. Ben-Amotz and J. M. Drake, J. Chem. Phys. 89, 1019 (1988).
5. N. Tjandra, S. E. Feller, R. W. Pastor, and A. Bax, J. Am. Chem. Soc. 117, 12 562 (1995).
6. M. Terazima and N. J. Hirota, J. Chem. Phys. 98, 6257 (1993).
7. G. G. Belford, R. L. Belford, and G. Weber, Proc. Natl. Acad. Sci. USA 69, 609 (1972).
8. J. R. Lakowicz, H. Cherek, B. P. Mailwal, and E. Gratton, Biochemistry 24, 376 (1985).
9. C. Z. Wan, Q. Song, and C. K. Johnson, Chem. Phys. Lett. 210, 94 (1993).
10. J. K. Moscicki, Y. K. Shin, and J. H. Freed, in EPR Imaging and In Vivo EPR, edited by R. R. Eaton et al. (1991).
11. Y. K. Shin, U. Ewert, D. E. Budil, and J. H. Freed, Biophys. J. 59, 950 (1991).
12. J. K. Moscicki, Y. K. Shin, and J. H. Freed, J. Chem. Phys. 99, 634 (1993).
13. A. Einstein, Investigations on the Theory of Brownian Movement (Dover, New York, 1956).
14. J. T. Hynes, R. Kapral, and M. Weinberg, J. Chem. Phys. 69, 2725 (1978).
15. J. L. Dote and D. Kivelson, J. Phys. Chem. 87, 3889 (1983).
16. D. Ben-Amotz and T. W. Scott, J. Chem. Phys. 87, 3739 (1987).
17. W. Eimer and R. Pecora, J. Chem. Phys. 94, 2324 (1991).
18. C. R. Cantor and P. R. Schimmel, Biophysical Chemistry: Techniques for the Study of Biological Structure and Function (Freeman, New York, 1980), Vol. II.
19. F. Perrin, J. Phys. Radium 5, 497 (1934).
20. F. Perrin, J. Phys. Radium 7, 1 (1936).
21. C. M. Hu and R. Zwanzig, J. Chem. Phys. 60, 4345 (1974).
22. J. L. Dote, D. Kivelson, and R. N. Schwartz, J. Phys. Chem. 85, 2169 (1981).
23. G. K. Youngren and A. Acrivos, J. Chem. Phys. 63, 3846 (1975).
24. R. J. Sension and R. M. Hochstrasser, J. Chem. Phys. 98, 2490 (1992).
25. M. M. Tirado and J. G. De La Torre, J. Chem. Phys. 71, 2581 (1979).
26. M. M. Tirado and J. G. De La Torre, J. Chem. Phys. 73, 1986 (1980).
27. J. G. De La Torre and V. A. Bloomfield, Q. Rev. Biophys. 14, 81 (1981).
28. M. M. Tirado, M. C. LopezMartinez, and J. G. De La Torre, J. Chem. Phys. 81, 2047 (1984).
29. J. G. De La Torre, M. C. LopezMartinez, and M. M. Tirado, Biopolymers 23, 611 (1984).
30. T. Tao, Biopolymers 8, 609 (1969).
31. Y. R. Kim and R. M. Hochstrasser, J. Chem. Phys. 96, 9597 (1992).
32. W. Brown and Z. Pu, Macromolecules 23, 5097 (1990).
33. T. Dorfmuller, B. Daum, and A. Hanschmidt, J. Chem. Phys. 95, 813 (1991).
34. J. Kanetakis and H. Sillescu, Chem. Phys. Lett. 252, 127 (1996).
35. L. Vuillard, B. Roux, and A. Miller, Eur. J. Biochem. 191, 333 (1990).
36. P. W. Kuchel and B. E. Chapman, J. Magn. Reson. 94, 574 (1991).
37. U. Stark, F. Cebe, K. Meisegresch, and W. M. Warmuth, J. Mol. Liq. 52, 67 (1992).
38. J. F. Ellena, L. S. Lepore, and D. S. Cafiso, FASEB J. 6, A505 (1992).
39. H. Liu, F. Muller-Plathe, and W. F. van Gunsteren, J. Am. Chem. Soc. 117, 4363 (1995).
40. Y. Zhang, R. M. Venable, and R. W. Pastor, J. Phys. Chem. 100, 2652 (1996).
41. A. Brodka and T. W. Zerda, J. Chem. Phys. 104, 6313 (1996).
42. P. E. Smith and W. F. van Gunsteren, J. Mol. Biol. 236, 629 (1994).
43. Y. Hu and G. R. Fleming, J. Chem. Phys. 94, 3857 (1991).
44. A. Luzar and D. Chandler, J. Chem. Phys. 98, 8160 (1993).
45. D. Huppert, D. C. Douglass, and P. M. Rentzepis, J. Chem. Phys. 72, 2841 (1980).
46. A. Bree and S. J. Katagiri, J. Mol. Spectrosc. 17, 24 (1965).
47. A. Bree, S. J. Katagiri, and S. R. Suart, J. Chem. Phys. 44, 1788 (1966).
48. G. J. Small, J. Chem. Phys. 52, 656 (1970).
49. T. P. Carter and G. D. Gillespie, J. Phys. Chem. 86, 2591 (1982).
50. W. R. Lambert, P. M. Felker, J. A. Syage, and A. H. Zewail, J. Chem. Phys. 81, 2195 (1984).
51. G. N. R. Triphati and M. R. Fisher, Chem. Phys. Lett. 104, 297 (1984).
52. A. Bree, A. Leyderman, and C. Taliani, J. Mol. Struct. 142, 151 (1986).
53. J. Wolf and G. Hohlneicher, Chem. Phys. 181, 185 (1994).
54. G. S. Jas, C. Wan, K. Kuczera, and C. K. Johnson, J. Phys. Chem. 100, 11 857 (1996).
55. G. S. Jas and K. Kuczera, Chem. Phys. 214, 229 (1997).
56. M. Lettenberger, F. Emmerling, N. H. Gottfried, and A. Laubereau, Chem. Phys. Lett. 95, 813 (1995).
57. A. M. Williams, Y. Jiang, and D. Ben-Amotz, Chem. Phys. 180, 119 (1994).
58. A. J. Cross and G. R. Fleming, Biophys. J. 46, 45 (1984).
59. B. R. Brooks, R. Bruccoleri, B. Olafson, D. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983).
60. A. D. Mackerell, Jr., M. Field, S. Fischer, and M. Karplus (unpublished).
61. M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, W. Wong, J. B. Foresman, B. G. Hohnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzales, R. L. Martin, D. S. Fox, D. J. Defrees, J. Barker, C. Gonzales, R. L. Martin, D. S. Fox, D. J. Defrees, J. Barker, J. J. P. Stewart, and J. A. Pople, in Gaussian 92, Revision C (Gaussian Inc., Pittsburgh, PA, 1992).
62. S. R. Cox and D. E. Williams, J. Comput. Chem. 2, 204 (1981).
63. G. S. Jas and K. Kuczera (unpublished).
64. CRC Handbook of Chemistry and Physics, 66th ed., edited by R. C. Weast (CRC Press, Cleveland, OH, 1985-1986).
65. R. R. Dreisbach, Anal. Ed. 160 (1940).
66. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977).
67. E. Barth, K. Kuczera, B. Leimkuhler, and R. D. Skeel, J. Comput. Chem. 16, 1192 (1995).
68. L. Verlet, Phys. Rev. 159, 98 (1967).
69. J. McConnell, Rotational Brownian Motion and Dielectric Theory (Academic, London, 1980).
70. R. Zwanzig and M. Bixon, Phys. Rev. A 2, 2005 (1970).
71. L. P. Hwang and J. H. Freed, J. Chem. Phys. 63, 118 (1975).
72. E. Ehrenberg and R. Rigler, Chem. Phys. Lett. 14, 539 (1972).
73. T. J. Chaung and K. B. Eisenthal, J. Chem. Phys. 57, 5094 (1972).
74. D. A. McQuarrie, Statistical Mechanics (Harper & Row, New York, 1976).
75. T. Chalikian and K. Breslauer, Biopolymers 39, 619 (1996).
76. J. A. Riddick, W. B. Bunger, and T. K. Sakand, Organic Solvents: Physical Properties and Methods of Purification (Wiley, New York, 1986).
77. E. L. Quitevis and M. L. Horng, J. Phys. Chem. 94, 5684 (1990).
78. R. D. Bessire and E. L. Quitevis, J. Phys. Chem. 98, 13 083 (1994).
79. D. R. Bauer, G. R. Alms, J. I. Brauman, and R. Pecora, J. Chem. Phys. 59, 5321 (1973).
80. D. R. Bauer, J. I. Brauman, and R. Pecora, J. Am. Chem. Soc. 96, 6840 (1974).
81. L. X. Q. Chen, R. A. Engh, and G. R. Fleming, J. Phys. Chem. 92, 1066 (1988).
82. QUANTA by Molecular Simulations, Inc., San Diego, CA.
83. P. M. Andrews, B. A. Pryor, P. M. Palmer, and M. R. Topp, Chem. Phys. Lett. 265, 224 (1997).