Polarizability tensor theory based upon a Bayley-Nielsen-Schellman-type model Hamiltonian: Circular dichroism calculations of polypeptides

Journal of Chemical Physics

Volumn 111, Issue 19, 1999, Pages 9093-9110

  Ito, Hirotoshi ^a  

^a UNIVERSITY OF ELECTRO COMMUNICATIONS   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000312645     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480251     Document Type: Article

References (75)

1. P. J. Stiles, Nature (London) 232, 107 (1971).
2. A. D. Buckingham and P. J. Stiles, Acc. Chem. Res. 7, 258 (1974).
3. H. Ito, Y. Arakawa, and Y. J. I'Haya, J. Chem. Phys. 98, 8835 (1993).
4. H. Ito, Biospectroscopy 2, 17 (1996).
5. H. Ito, J. Chem. Phys. 108, 93 (1998).
6. J. A. Schellman, Acc. Chem. Res. 1, 144 (1968).
7. E. U. Condon, W. Walter, and H. Eyring, J. Chem. Phys. 5, 753 (1937).
8. H. Ito, and Y. J. I'Haya, Bull. Chem. Soc. Jpn. 60, 2791 (1987).
9. P. M. Bayley, E. B. Nielsen, and J. A. Schellman, J. Phys. Chem. 73, 228 (1969).
10. J. H. Bene and H. H. Jaffé, J. Chem. Phys. 48, 1807 (1968).
11. J. H. Bene and H. H. Jaffé, J. Chem. Phys. 48, 4050 (1968).
12. R. L. Ellis, G. Kuehnlenz, and H. H. Jaffé, Theor. Chim. Acta 26, 131 (1972).
13. H. Chojnacki, Theor. Chim. Acta 11, 174 (1968).
14. S. K. Brahmachari, V. S. Ananthanarayanan, S. Brahms, J. Brahms, R. S. Rapaka, and R. S. Bhatnagar, Biochem. Biophys. Res. Commun. 86, 605 (1979).
15. H. Ito and Y. J. I'Haya, J. Chem. Phys. 77, 6270 (1982).
16. A. Herzenberg and A. Modinos, Proc. Phys. Soc. London 87, 597 (1966).
17. H. DeVoe, Ann. (N.Y.) Acad. Sci. 158, 298 (1969).
18. H. DeVoe, J. Chem. Phys. 41, 393 (1964).
19. H. DeVoe, J. Chem. Phys. 43, 3199 (1965).
20. A. Volosov and R. W. Woody, in Circular Dichroism Principle and Applications, edited by K. Nakanishi, N. Berova, and R. W. Woody (VHC, New York, 1994), p. 59.
21. W. Kauzmann, Quantum Chemistry (Academic, New York, 1957), p. 579.
22. W. Rhodes, in Spectroscopic Approaches to Biomolecular Conformation, edited by D. W. Urry (The American Medical Association, Chicago, Illinois, 1970), pp. 123-160.
23. A. L. Williams and D. S. Moore, Biopolymers 22, 755 (1983).
24. D. S. Moore and A. L. Williams, Jr., Biopolymers 25, 1461 (1986).
25. T. G. Dewey, Biopolymers 22, 1571 (1983).
26. R. Daudel, R. Lefebvre, and C. Moser, Quantum Chemistry Method and Applications (Interscience, New York, 1959), p. 218.
27. P. J. Stiles, Mol. Phys. 22, 731 (1971).
28. L. D. Barron, Molecular Light Scattering and Optical Activity (Cambridge University Press, London, 1982), p. 257.
29. D. J. Caldwell and H. Eyring, The Theory of Optical Activity (Wiley-Interscience, New York, 1971), p. 115.
30. M. J. S. Dewar and N. C. Baird, QCPE 136: "COORD-Atomic Cartesian Coordinates for Molecules" in QCPE, p. 29, Indiana University, 1969.
31. R. Pariser, J. Chem. Phys. 24, 250 (1956).
32. A. Imamura, T. Hirano, C. Nagata, and T. Tsuruta, Bull. Chem. Soc. Jpn. 45, 396 (1972).
33. H. Ito, H. Kameshima, and T. Shibuya, J. Chem. Phys. 104, 1309 (1996).
34. M. Wolfsberg, J. Chem. Phys. 23, 793 (1955).
35. S. Ehrenson and P. E. Phillipson, J. Chem. Phys. 34, 1224 (1961).
36. B. Schiff and C. J. Pekeris, Phys. Rev. 134, A638 (1964).
37. D. P. Chong, Mol. Phys. 14, 275 (1968).
38. A. J. McHugh and M. Gouterman, Theor. Chim. Acta 13, 249 (1969).
39. R. A. Harris, J. Chem. Phys. 50, 3947 (1969).
40. F. Weinhold, J. Chem. Phys. 54, 1874 (1971).
41. M. Vohen and R. P. McEachran, Chem. Phys. Lett. 14, 201 (1972).
42. C. A. Nicolaides and D. R. Beck, Chem. Phys. Lett. 35, 202 (1975).
43. A. Rauk, J. O. Jarvie, H. Ichimura, and J. M. Barriel, J. Am. Chem. Soc. 97, 5656 (1975).
44. S. F. Mason, Molecular Optical Activity and the Chiral Discriminations (Cambridge University Press, Cambridge, 1982), p. 66 ff, pp. 182-185.
45. L. Z. Stenkamp and E. R. Davidson, Theor. Chim. Acta 44, 405 (1977).
46. A. Volosov, J. Chem. Phys. 87, 6653 (1987).
47. C. Giessner-Prettre and A. Pullman, Theor. Chim. Acta 13, 265 (1969).
48. A. Wada, Adv. Biophys. 9, 1 (1976).
49. H. Basch, H. B. Robin, and N. A. Kuebler, J. Chem. Phys. 47, 1201 (1967).
50. W. G. J. Hol, P. T. van Duijnen, and H. J. C. Berendsen, Nature (London) 273, 443 (1978).
51. R. Woody, Biopolymers 22, 189 (1983).
52. R. L. Bowman, M. Kellerman, and W. C. Johnson, Jr., Biopolymers 22, 1045 (1983).
53. M. B. Robin, Higher Excited States of Polyatomic Molecules (Academic, New York, 1975), Vol. 2, pp. 122-160.
54. E. S. Pysh, J. Chem. Phys. 52, 4723 (1973).
55. IUPAC-IUB Commission on Biochemical Nomenclature, Abbreviations and Symbols for the Description of the Conformation of Polypeptide Chains. Tentative Rules (1969), Biochemistry 15, 607 (1970).
56. W. C. Johnson, Jr. and I. Tinoco, Jr., J. Am. Chem. Soc. 94, 4389 (1972).
57. K. D. Parker and K. M. Redall, Nature (London) 179, 905 (1975).
58. B. Brahms, J. Brahms, G. Spach, and A. Brack, Proc. Natl. Acad, Sci. USA 74, 3208 (1977).
59. P. N. Lewis, F. A. Momany, and H. A. Scheraga, Biochim. Biophys. Acta 303, 211 (1973).
60. C. M. Venkatachalam, Biopolymers 6, 1425 (1968).
61. K. Kaya and S. Nagakura, J. Mol. Spectrosc. 44, 279 (1972).
62. H. Basch, M. B. Robin, and N. A. Kuebler, J. Chem. Phys. 49, 5007 (1968).
63. I. L. Karle, J. Am. Chem. Soc. 100, 1286 (1978).
64. L. G. Pease and C. Watson, J. Am. Chem. Soc. 100, 1279 (1978).
65. I. Tinoco, Jr., Adv. Chem. Phys. 4, 113 (1962).
66. R. W. Woody and I. Tinoco, Jr., J. Chem. Phys. 46, 4927 (1967).
67. R. W. Woody, J. Chem. Phys. 49, 4797 (1968).
68. R. W. Woody in Peptides, Polypeptides and Protein, edited by E. R. Blout, F. A. Bovery, M. Goodman, and N. Lotan (Wiley, New York, 1974), pp. 338-350.
69. C. Rosini, M. Zandomeneghi, and P. Salvadori, Tetrahedron 4, 545 (1993).
70. B. M. W. Langeveld-Voss, D. Beljonne, Z. Shuai, R. A. J. Janssen, S. C. J. Meskers, E. W. Meijer, and J.-L. Brédas, Adv. Mater. 10, 1343 (1998).
71. A. Rodger and B. Nordén, Circular Dichroism and Linear Dichroism (Oxford University Press, Oxford, 1997), p. 121.
72. I. Tvaroška and T. Kǒzár, Theor. Chim. Acta 70, 99 (1986).
73. H. DeVoe and I. Tinoco, Jr., J. Mol. Biol. 4, 500 (1962).
74. R. Rein, Adv. Quantum Chem. 7, 735 (1975).
75. W. Saenger, Principles of Nucleic Acid Structure (Springer-Verlag, New York, 1984), p. 107.