Structure of the alanine dipeptide in condensed phases determined by 13C NMR

Journal of Physical Chemistry B

Volumn 108, Issue 9, 2004, Pages 2777-2780

  Mehta, Manish A ^a   Fry, Elizabeth A ^a   Eddy, Matthew T ^a   Dedeo, Michel T ^a   Anagnost, Adrian E ^a   Long, Joanna R ^b  

^a OBERLIN COLLEGE   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BONDS; MAGNETIC FIELD EFFECTS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLYCRYSTALLINE MATERIALS; QUANTUM THEORY; SOLUBILITY; WATER;

ALANINE; CARBONYL CARBONS; CHEMICAL SHIFTS; CONDENSED PHASES; DOUBLE QUANTUM DIPOLAR RECOUPLING; LYPOPHILIZED STATES;

ORGANIC COMPOUNDS;

EID: 1542306742     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037871q     Document Type: Letter

References (19)

1. Madison, V.; Kopple, K. D. J. Am. Chem. Soc. 1980, 102, 4855-4863.
2. Tobias, D. J.; Brooks, C. L., III. J. Phys. Chem. 1992, 96, 3864-3870.
3. Gould, I. R.; Cornell, W. D.; Hillier, I. H. J. Am. Chem. Soc. 1994, 116, 9250-9256.
4. Han, W.-G.; Jalkanen, K. J.; Elstner, M.; Suhai, S. J. Phys. Chem. B 1998, 102, 2587-2602.
5. Smith, P. E. J. Chem. Phys. 1999, 111, 5568-5579.
6. Cui, Q.; Smith, V. H. J. Chem. Phys. 2003, 118, 279-290.
7. Hu, H.; Elstner, M.; Hermans, J. Proteins 2003, 50, 451-463.
8. Lavrich, R. J.; Plusquellic, D. F.; Suenram, R. D.; Fraser, G. T.; Walker, A. R. H.; Tubergen, M. J. J. Chem. Phys. 2003, 118, 1253-1265.
9. (a) Poon, C.-D.; Samulski, E. T.; Weise, C. F.; Weisshaar, J. C. J. Am. Chem. Soc. 2000, 122, 5642-5643.
10. (b) Weise, C. F.; Weisshaar, J. C. J. Phys. Chem. B 2003, 107, 3265-3277.
11. Harada, Y.; Iitaka, Y. Acta Crystallogr. 1974, B30, 1452-1459.
12. (a) Lazo, N. D.; Hu, W.; Lee, K.-C.; Cross, T. A. Biochem. Biophys. Res. Comm. 1993, 197, 904-909.
13. (b) Jakeman, D. L.; Mitchell, D. J.; Shuttleworth, W. A.; Evans, J. N. S. J. Biomol. NMR 1998, 12, 417-421.
14. Morcombe, C. R.; Zilm, K. W. J. Magn. Reson. 2003, 162, 173-180.
15. (a) Wishart, D. S.; Case, D. A. Methods Enzymol. 2001, 338, 3-34.
16. (b) Neal, S.; Nip, A. M.; Zhang, H. Y.; Wishart, D. S. J. Biomol. NMR 2003, 26, 215-240.
17. (c) The chemical-shift prediction program SHIFTZ is available via the Internet at redpoll.pharmacy.ualberta.ca/shiftz.
18. Bolhuis, P. G.; Dellago, C.; Chandler, D. Proc. Natl. Acad. Sci. U. S. A. 2000, 97, 5877-5882.
19. Long, J. R.; Oyler, N.; Drobny, G. P.; Stayton, P. S. J. Am. Chem. Soc. 2002, 124, 6297-6303 and references therein.