Acid-base interactions and secondary structures of poly-l-lysine probed by15N and13C solid state NMR and ab initio model calculations

Journal of Physical Chemistry B

Volumn 112, Issue 49, 2008, Pages 15604-15615

  Dos, Alexandra ^a   Schimming, Volkmar ^a   Tosoni, Sergio ^b   Limbach, Hans Heinrich ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDS; AMINATION; AMINES; AMINO ACIDS; AMMONIUM COMPOUNDS; ATOMIC PHYSICS; ATOMS; CARBON DIOXIDE; CHEMICAL SHIFT; CHLORINE COMPOUNDS; FLOW INTERACTIONS; HYDRATION; HYDROGEN; HYDROGEN BONDS; MODEL STRUCTURES; NEGATIVE IONS; NONMETALS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC ACIDS; OXYGEN; PHASE LOCKED LOOPS; POLARIZATION; PROTONATION;

AB INITIO MODELS; AMINO GROUPS; AMINO NITROGENS; AMMONIUM GROUPS; AQUEOUS SOLUTIONS; BASE PAIRS; CARBAMIC ACIDS; CHEMICAL SHIELDING; COMPUTATIONAL RESULTS; CPMAS NMR; CROSS POLARIZATIONS; DO-MAINS; DRY SOLIDS; FIELD SHIFTS; HALIDE CLUSTERS; HALOGEN ACIDS; HALOGEN ANIONS; HALOGEN ATOMS; HELICAL DOMAINS; HYDROGEN-BONDED COMPLEXES; MAGIC ANGLES; OXYGEN ATOMS; PROTONATED; SALT FORMATIONS; SECONDARY STRUCTURES; SOLID STATES;

COMPLEXATION;

EID: 58149147140     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806551u     Document Type: Article

References (69)

1. Shmueli, U.; Traub, W. J. Mol. Biol. 1965, 12, 205-214.
2. Suwalsky, M.; Llanos, A. Biopolymers 1977, 16, 403-413.
3. Belfiore, L. A.; McCurdie, M. P. Pol. Eng. Sci. 2000, 40, 738-746.
4. Krushelnitsky, A.; Faizullin, D.; Reichert, D. Biopolymers 2004, 73, 1-15.
5. Swanson, S. D.; Bryant, R. C. Biopolymers 1991, 31, 967-973.
6. Cui, H.; Krikorian, V.; Thompson, J.; Nowak, A. P.; Deming, T. J.; Pochan, D. J. Macromolecules 2005, 38, 7371-7377.
7. Kricheldorf, H. R.; Müller, D. Macromolecules 1983, 16, 615-623.
8. Prestrelski, S. J.; Tedeschi, N.; Arakawa, T.; Carpenter, J. F. Biophys. J. 1993, 65, 661-671.
9. Ma, L.; Ahmed, Z.; Mikhonin, A. V.; Asher, S. A. J. Phys. Chem. B 2007, 111, 7675-7680, and literature cited therein.
10. Wilson, G.; Hecht, L.; Barron, L. D. J. Chem. Soc., Faraday Trans. 1996, 92, 1503-1509.
11. Saitô, H.; Smith, I. C. P. Arch. Biochem. Biophys. 1973, 158, 154-163.
12. Perly, B.; Chevalier, Y.; Chachaty, C. Macromolecules 1981, 14, 969-975.
13. Davidson, B.; Fasman, G. D. Biochemistry 1967, 6, 1616-1629.
14. Painter, P. C.; Koenig, J. L. Biopolymers i976, 15, 229-240.
15. Jackson, M.; Haris, P. I.; Chapman, D. Biochim. Biophys. Acta 1989, 998, 75-79.
16. Carrier, D.; Mantsch, H.; Wong, P. T. T. Biopolymers 1990, 29, 837-844.
17. (a) Nemethy, G.; Scheraga, H. A. J. Phys. Chem. 1962, 66, 1773-1789.
18. (b) Scheraga, H. A. Chem. Rev. 1971, 71, 195-217.
19. (c) Hesselink, F. T.; Ooi, T.; Scheraga, H. A. Macromolecules 1973, 6, 541-552.
20. (d) Vorobjev, Y. N.; Scheraga, H. A.; Honig, B. J. Phys. Chem. 1995, 99, 7180-7187.
21. (e) Vorobjev, Y. N.; Scheraga, H. A.; Hitz, B.; Honig, B. J. Phys. Chem. 1994, 98, 10940-10948.
22. Rozenberg, M.; Shoham, G. Biophys. Chem. 2007, 125, 166-171.
23. Hull, W. E.; Kricheldorf, H. R.; Fehrle, M. Biopolymers 1978, 17, 2427-2443.
24. Martin G. J.; Martin M. L.; Gouesnard J.-P. 15N-NMR Spectroscopy Springer-Verlag: Berlin, Heidelberg, New York, 1981.
25. Schimming, V.; Hoelger, C. G.; Buntkowsky, G.; Sack, I.; Fuhrhop, J. H.; Rocchetti, S.; Limbach, H. H. J. Am. Chem. Soc. 1999, 121, 4892-4893.
26. Maeda, S.; Mori, T.; Sasaki, C.; Kunimoto, K. K.; Kuwae, A.; Hanai, K. Polym. Bull. 2005, 53, 259-267.
27. Angeles García, M.; López, C.; Peters, O.; Claramunt, R. M.; Klein, O.; Schagen, D.; Limbach, H. H.; Foces-Foces, C.; Elguero, J. Magn. Reson. Chem. 2000, 38, 604-614.
28. (a) Hayashi, S.; Hayamizu, K. Bull. Chem. Soc. Jpn. 1991, 64, 688-690.
29. (b) Witanowski, M.; Stefaniak, L.; Szvmañski, S.; Januszewski, H. J. Magn. Reson. 1977, 28, 217-226.
30. (a) Hansen, P. E.; Lycka, A. Acta Chem. Scand. 1989, 43, 222-232.
31. (b) Munch, M.; Hansen, A. E.; Hansen, P. E.; Bouman, T. D. Acta Chem. Scand. 1992, 46, 1065-1071.
32. Zanotti, J. M.; Bellissent-Funel, M. C. Biophys. J. 1999, 76, 2390-2411.
33. Bergmann, M.; Zervas, L.; Ross, W. F. J. Biol. Chem. 1935, 111, 245-260.
34. (a) Neuberger, A.; Sanger, F. Biochem. J. 1943, 37. 515-518.
35. (b) Kurtz, A. C. J. Biol. Chem. 1949, 180, 1253-1267.
36. Fasman, G. D.; Ideslon. M.; Blout, E. R. J. Am. Chem. Soc. 1961, 83, 709-712.
37. Hernandez, J. R.; Klok, H. A. J. Polym. Sci., Part A: Polym. Chem. 2003, 41, 1167-1186.
38. (a) Sharif, S.; Denisov, G. S.; Toney, M. D.; Limbach, H. H. J. Am. Chem. Soc. 2007, 129, 6313-6327.
39. (b) Sharif, S.; Schagen, D.; Toney, M. D.; Limbach, H. H. J. Am. Chem. Soc. 2007, 129, 4440-4455.
40. (c) Sharif, S.; Chan Huot, M.; Tolstoy, P. M.; Toney, M. D.; Jonsson, K. H. M.; Limbach, H. H. J. Phys. Chem. B 2007, 111, 3869-3876.
41. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
42. Frisch, M. J. et al. Gaussian 98, revision A.11; Gaussian, Inc.,: Pittsburgh, PA, 2001; for the full reference, see Supporting Information.
43. Perdew, J. P. Electronic Structure of Solids; Akademie Verlag: Berlin, Germany, 1991.
44. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244-13249.
45. Saunders, V. R.; Dovesi, R.; Roetti, C.; Orlando, R.; Zicovich-Wilson, C. M.; Harrison, N. M.; Doll, K.; Civalleri, B.; Bush, I. J.; D'Arco, P.; Llunell. M. CRYSTAL03 User's Manual; Università di Torino: Torino, Italy, 2003.
46. Dovesi, R.; Causà, M.; Orlando, R.; Roetti, C. J. Chem. Phys. 1990, 92, 7402-7411.
47. Civalleri, B.; Casassa, S.; Garrone, E.; Pisani, C.; Ugliengo, P. J. Phys. Chem. B 1999, 103, 2165-2171.
48. Nada, R.; Catlow, C. R. A.; Pisani, C.; Orlando, R. Modell. Simul. Mater. Sci. Eng. 1993, 1, 165-187.
49. Aprà, E.; Causà, M.; Prencipe, M.; Dovesi, R.; Saunders, V. J. Phys.: Condens. Matter 1993, 5, 2969-2976.
50. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299-310.
51. Ugliengo. P.; Viterbo, D.; Chiari, G. Z. Kristallogr. 1993, 207, 9-23.
52. (a) Henderson, L. J. Am. J. Phys. 1908, 21, 173-179.
53. (b) De Levie, R. J. Chem. Educ. 2003, 80, 146-146.
54. Sharif, S.; Shenderovich, I. G.; González, L.; Denisov, G. S.; Silverman, D. N.; Limbach, H. H. J. Phys. Chem. B 2007, 111, 6084-6093.
55. (a) Golubev, N. S.; Denisov, G. S.; Smirnov, S. N.; Shchepkin, D. N.; Limbach, H. H. Z. Phys. Chem. 1996, 196, 73-84.
56. (b) Ramos, M.; Alkorta, I.; Elguero, J.; Golubev, N. S.; Denisov, G. S.; Benedict, H.; Limbach, H. H. J. Phys. Chem. A 1997, 101, 9791-9800.
57. Limbach, H. H.; Denisov, G. S.; Golubev, N. S. Hydrogen Bond Isotope Effects Studied by NMR. In Isotope Effects in the Biological and Chemical Sciences; Kohen, A.; Limbach, H. H. Taylor & Francis: Boca Raton, FL, 2005; Chapter 7, pp 193-230.
58. (a) Pauling, L. J. Am. Chem. Soc. 1947, 69, 542-553.
59. (b) Brown, I. D. Acta Crystallogr., Sect. B 1992. 48, 553-572.
60. (c) Bürgi, H. B.; Dunitz, J. D. Acc. Chem. Res. 1983, 16, 153-161.
61. Benedict, H.; Shenderovich, I. G.; Malkina, O. L.; Malkin, V. G.; Denisov, G. S.; Golubev, N. S.; Limbach, H. H. J. Am. Chem. Soc. 2000, 122, 1979-1988.
62. Shenderovich, I. G.; Tolstoy, P. M.; Golubev, N. S.; Smirnov, S. N.; Denisov, G. S.; Limbach, H. H. J. Am. Chem. Soc. 2003, 125, 11710-11720.
63. Sharif, S.; Denisov, G. S.; Toney, M. D.; Limbach, H. H. J. Am. Chem. Soc. 2006, 128, 3375-3387.
64. Limbach, H. H.; Pietrzak, M.; Benedict, H.; Tolstoy, P. M.; Golubev, N. S.; Denisov, G. S. J. Mol. Struct. 2004, 706, 115-119.
65. Limbach, H. H.; Pietrzak, M.; Sharif, S.; Tolstoy, P. M.; Shenderovich, I. G.; Smirnov, S. N.; Golubev, N. S.; Denisov, G. S. Chem.-Eur. J. 2004, 10, 5195-5204.
66. Satyanarayana, Ch. Phys. Rev. B 1984, 30, 1004-1007.
67. Lorente, P.; Shenderovich, I. G.; Golubev, N. S.; Denisov, G. S.; Buntkowsky, G.; Limbach, H. H. Magn. Reson. Chem. 2001, 39, 18-29.
68. Lopez, J. M.; Männle, F.; Wawer, I.; Buntkowsky, G.; Limbach, H. H. Phys. Chem. Chem. Phys. 2007, 9, 4498 4513
69. Wright, D. A.; Marsh, R. E. Acta Crystallogr. 1962, 15, 54-64.