Ab-initio calculations on arginine - Disulfide complexes modeling the one-electron reduction of lysozyme. Comparison to an experimental reinvestigation

Journal of Physical Chemistry A

Volumn 101, Issue 42, 1997, Pages 7809-7817

  Bergès, Jacqueline ^a   Kassab, Emile ^a   Conte, Daniel ^b   Adjadj, Elizabeth ^b   Houée Levin, Chantal ^b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b INSERM   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CHARGE TRANSFER; CHEMICAL BONDS; ELECTRONS; FREE RADICALS; NITROGEN COMPOUNDS; POLYPEPTIDES; REDUCTION; SULFUR COMPOUNDS;

ARGININE; LYSOZYMES; ONSAGER REACTION FIELD METHOD; RADIOLYSIS;

ENZYMES;

EID: 0031248670     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963312q     Document Type: Article

References (60)

1. Droge, M; Schulze-Osthoff, K.; Mihm, S.; Galter, D.; Schenk, H.; Eck, H.-P.; Roth, S.; Gmunder, H. FASEB J. 1994, 14, 1131.
2. Jocelyn, P. C. Biochemistry of the -SH Group, Pergamon Press: Oxford, 1972.
3. Von Sonntag, C. The Chemical Basis of Radiation Biology; Taylor and Francis, London, 1987.
4. Chatgilialoglu, C.; Guerra, M. Thiyl Radicals. In The chemistry of Sulfur-Containg Functional Groups, Supplement; Patai, S., Ed.; Wiley: Chichester, 1993; pp 363-394.
5. Wardman, P.; Von Sonntag, C. Methods in Enzymology, part A; Packer, L., Ed.; Academic: Orlando: 1995; Vol. 251, pp 31-45.
6. Rao, D. N. R.; Symons, M. C. R.; Stephenson, J. M. J. Chem. Soc., Perkin Trans. 1983, 2, 727.
7. Favaudon, V.; Tourbez, H.; Houée-Levin, C.; Lhoste, J.-M. Biochemistry 1990, 29, 10978.
8. Conte, D.; Houée-Levin, C. J. Chim. Phys. 1993, 90, 971.
9. Conte, D. Ph.D. Thesis, Paris, 1995.
10. (a) Hoffman, M. Z.; Hayon, E. J. Phys. Chem. 1973, 77, 990.
11. (b) Hoffman, M. Z.; Hayon, E. J. Phys. Chem. 1975, 79, 1362.
12. Bisby, R. H.; Cundall, R. B. J. Chem. Soc., Faraday Trans. 1 1976, 72, 51.
13. Klapper, M. H.; Faraggi, M. Q. Rev. Biophys. 1972, 12, 465.
14. Koch, C. J.; Raleigh, J. A. Arch. Biochem. Biophys. 1991, 287, 75.
15. Bernstein, F. C.; Koetzle, T. F.; Williams, G. J. B.; Meyer, E. F.; Brice, M. D.; Rodgers, J. R.; Kennard, O.; Shimanoushi, T.; Sasum, M. J. Mol. Biol. 1977, 112, 535.
16. Redfield, C.; Dobson, C. M. Biochemistry, 1988, 27, 122.
17. Smith, L. J.; Sutcliffe, M. J.; Redfield C.; Dobson, C. M. J. Mol. Biol. 1993, 229, 930.
18. Bergès, J.; Abedinzadeh, Z.; Houée-Levin, C.; Conte, D.; Langlet, J.; Kassab, E. J. Chim. Phys. 1996, 93, 7.
19. Gill, S. C.; von Hippel, P. H. Anal. Biochem. 1989, 182, 319.
20. Ellman, G. L. Arch. Biochem. Biophys. 1958, 74, 443.
21. Shugar, D. Biochem. Biophys. Acta 1952, 8, 302.
22. Rance, M.; Sorensen O. W.; Bodenhausen G.; Wagner G.; Ernst R. R.; Wüthrich K. Biochem. Biophys. Res. Commun. 1983, 117, 479.
23. Elliot, A. J.; Sopchyshyn, F. C. Radiat. Phys. Chem. 1991, 19, 417-426.
24. Elliot, A. J.; Simsons, A. S.; Sopchyshyn, F. C. Radiat. Phys. Chem. 1984, 23, 377.
25. (a) Hill, C. P.; Johnson, N. L.; Cohen, R. E. Proc. Natl. Acad. Sci. U.S.A. 1993, 90, 4136.
26. (b) Radford, S. E.; Woolfson, D. N.; Martin, S. R.; Lowe, G.; Dobson, D. M. Biochem. J. 1991, 273, 211.
27. Dunten, R. L.; Cohen, E.; Gregori, L.; Chau, V. J. Biol. Chem. 1991, 266, 3260.
28. Weinstein, M.; Alfassi, Z. B.; DeFelippis, M. R.; Klapper, M. H.; Faraggi, M. Biochim. Biophys. Acta 1991, 1076, 173.
29. (a) Faraggi M.; Klapper, M. H. J. Am. Chem. Soc. 1988, 110, 5753.
30. (b) Faraggi, M.; Ferradini, C.; Jay-Gerin, J.-P. New J. Chem. 1995, 19, 1203.
31. Gobi, M.; Bonifacic, M.; Asmus, K. D. J. Am. Chem. Soc. 1984, 106, 5984.
32. Surdhar, P. S.; Amstrong, D. A. J. Phys. Chem. 1986, 90, 5915.
33. Surdhar, P. S.; Amstrong, D. A. J. Phys. Chem. 1987, 91, 6532.
34. Zhao, R.; Lund, J.; Merenyi, G.; Eriksen, T. E. J. Am. Chem. Soc. 1994, 116, 12010.
35. Janousek, B. K.; Reed, K. J.; Brauman, J. T. J. Am. Chem. Soc. 1980, 102, 3125.
36. Zhu, J.; Petit, K.; Colson, A.-O.; DeBolt, S.; Sevilla, M. D. J. Phys. Chem. 1991, 95, 3676.
37. Ha, T.-K. J. Mol. Struct. (THEOCHEM) 1985, 122, 225.
38. Honda, M.; Tajima, M. J. Mol. Struct. (THEOCHEM) 1986, 136, 93.
39. Loos, M. Stud. Phys. Theor. Chem. 1990, 71, 359.
40. Berthe-Gaujac, N.; Demachy, I.; Jean, Y.; Volatron, F. Chem. Phys. Lett. 1994, 221, 145.
41. Moran, S.; Ellison, G. B. J. Phys. Chem. 1988, 92, 1794.
42. Baldridge, K. K.; Gordon, M. S.; Johnson, D. E. J. Phys. Chem. 1987, 91, 4145.
43. Fossey, J.; Sorba, J. J. Mol. Struct. (THEOCHEM) 1989, 186, 305.
44. Chiu, S.-W.; Li, W.-K.; Tzeng, W.-L.; Ng, C. Y. J. Chem. Phys. 1992, 97, 6557.
45. Li, W.-K.; Chiu, S.-W.; Ma, Z.-X.; Liao, C.-L.; Ng, C. Y. J. Chem. Phys. 1992, 97, 6557.
46. (a) Colson, A.-O., Besler B.; Seville, M. D. J. Phys. Chem. 1992, 96, 9787.
47. (b) Colson, A.-O.; Besler B.; Sevilla, M. D. J. Phys. Chem. 1993, 97, 13852.
48. (c) Colson, A.-O.; Sevilla, M. D. Int. J. Radiat. Biol. 1995, 67, 627.
49. Colson, A.-O.; Sevilla, M. D. J. Phys. Chem. 1994, 98, 10484.
50. Alnajjar, M. S.; Garossian, M. S.; Autrey, S. T.; Ferris, K. F.; Franz, J. A. J. Phys. Chem. 1992, 96, 7037.
51. Dunning, T. H., Jr.; Hay, P. J. Modern Theoretical Chemistry, Schaefer, H. F., Ed.; Plenum Press: New York, 1977; Vol. 2.
52. Kassab, E.; Fouquet, J.; Allavena, M.; Evleth, E. M. J. Phys. Chem. 1993, 97, 9034.
53. Jensen, J. H.; Gorden, M. S. J. Am. Chem. Soc. 1995, 117, 8159.
54. Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Reploge, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; DeFrees, D. J.; Baker, J.; Stewart J. J. P.; Pople, J. A. GAUSSIAN94; Gaussian, Inc.; Pittsburgh, PA, 1992.
55. Yu, D.; Rauk, A.; Amstrong, D. A. J. Am. Chem. Soc. 1995, 117, 1789.
56. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
57. Gregoret, L. M.; Rader, S. D.; Fletterick, R. J.; Cohen, F. E. Proteins: Struct. Funct. Genet. 1991, 9, 99.
58. Blake, P. R.; Park, J. B.; Adams, M. W. W.; Summers, M. F. J. Am. Chem. Soc. 1992, 114, 4931.
59. Kauzmann, W. Quantum Chemistry; Academic Press Inc.: New York, 1957; p 536.
60. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265.