Determination of Molecular Geometry by High-Order Multiple-Quantum Evolution in Solid-State NMR

Journal of Magnetic Resonance

Volumn 144, Issue 2, 2000, Pages 266-279

  Edén, Mattias ^a,c   Brinkmann, Andreas ^a   Luthman, Henrik ^a   Eriksson, Lars ^b   Levitt, Malcolm H ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PEPTIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SPIN LABELING; THEORETICAL MODEL;

MAGNETIC RESONANCE SPECTROSCOPY; MODELS, THEORETICAL; MOLECULAR STRUCTURE; PEPTIDES; SPIN LABELS;

EID: 0034200861     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.2000.2042     Document Type: Article

References (48)

1. M. H. Levitt, D. P. Raleigh, F. Creuzet, and R. G. Griffin, Theory and simulations of homonuclear spin pair systems in rotating solids, J. Chem. Phys. 90, 6347-6364 (1990).
2. T. Gullion and J. Schaefer, Detection of weak heteronuclear dipolar coupling by rotational-echo double-resonance nuclear magnetic resonance, Adv. Magn. Reson. 13, 57-83 (1989).
3. Y. Ishii, T. Terao, and M. Kainosho, Relayed anisotropy correlation NMR: Determination of dihedral angles in solids, Chem. Phys. Lett. 265, 133-140 (1996).
4. 13C-labelled amino acids by SLF 2Q-NM R, J. Am. Chem. Soc. 118, 7601-7603 (1996).
5. D. P. Weliky and R. Tycko, Determination of peptide conformations by 2D MAS NMR exchange spectroscopy with rotor synchronization, J. Am. Chem. Soc. 118, 8487-8488 (1996).
6. X. Feng, Y. K. Lee, D. Sandström, M. Edén, H. Maisel, A. Sebald, and M. H. Levitt, Direct determination of a molecular torsional angle by solid-state NMR, Chem. Phys. Lett. 257, 314-320 (1996).
7. X. Feng, M. Edén, A. Brinkmann, H. Luthman, L. Eriksson, A. Gräslund, O. N. Antzutkin, and M. H. Levitt, Direct determination of a peptide torsional angle ψ by double-quantum solid-state NMR, J. Am. Chem. Soc. 119, 12,006-12,007 (1997).
8. P. R. Costa, J. D. Gross, M. Hong, and R. G. Griffin, Solid-state NMR measurement of ψ in peptides: A NCCN 2Q-heteronuclear local field experiment, Chem. Phys. Lett. 280, 95-103 (1997).
9. M. Hong, J. D. Gross, and R. G. Griffin, Site-resolved determination of peptide torsion angle θ from the relative orientations of backbone N-H and C-H bonds by solid-state NMR, J. Phys. Chem. B 101, 5869-5874 (1997).
10. K. Schmidt-Rohr, A double-quantum solid-state NMR technique for determining torsion angles in polymers, Macromolecules 29, 3975-3981 (1996).
11. Y. Tomita, E. J. O'Connor, and A. E. McDermott, A method for dihedral angle measurement in solids: Rotational resonance NMR of a transition-state inhibitor of triose phosphate isomerase, J. Am. Chem. Soc. 116, 8766-8771 (1994).
12. X. Feng, P. J. E. Verdegem, Y. K. Lee, D. Sandström, M. Edén, P. Bovee-Guerts, W. J. de Grip, J. Lugtenburg, H. J. M. de Groot, and M. H. Levitt, Direct determination of a molecular torsional angle in the membrane protein rhodopsin by solid-state NMR, J. Am. Chem. Soc. 119, 6853-6857 (1997).
13. 13C labels, J. Magn. Reson. 137, 272-275 (1999).
14. T. Gullion and C. H. Pennington, θ-REDOR: An MAS NMR method to simplify multiple coupled heteronuclear spin systems, Chem. Phys. Lett. 290, 88-93 (1998).
15. D. P. Weitekamp, J. R. Garbow, and A. Pines, Determination of dipole coupling constants using heteronuclear multiple quantum NMR, J. Chem. Phys. 77, 2870-2883 (1982).
16. B. H. Meier and W. L. Earl, Excitation of multiple quantum transitions under magic angle spinning conditions: Adamantane, J. Chem. Phys. 85, 4905-4911 (1986).
17. Y. Ba and W. S. Veeman, On multiple quantum NMR of coupled spins in solids, Isr. J. Chem. 32, 173-178 (1992).
18. Y. Ba and W. S. Veeman, Experimental detection of multiple-quantum coherence transfer in coupled spin solids by multi-dimensional NMR experiments, Solid State NMR 2, 131-141 (1993).
19. J. Gottwald, D. E. Demco, R. Graf, and H. W. Spiess, High-resolution double-quantum NMR spectroscopy of homonuclear spin pairs and proton connectivities in solids, Chem. Phys. Lett. 243, 314-323 (1995).
20. H. Geen, J. J. Titman, J. Gottwald, and H. W. Spiess, Solid-state proton multiple-quantum NMR spectroscopy with fast magic angle spinning, Chem. Phys. Lett. 227, 79-86 (1994).
21. U. Friedrich, I. Schnell, D. E. Demco, and H. W. Spiess, Triplequantum NMR spectroscopy in dipolar solids, Chem. Phys. Lett. 285, 49-58 (1998).
22. H. Geen, R. Graf, A. S. D. Heindrichs, B. S. Hickman, I. Schnell, H. W. Spiess, and J. J. Titman, Spin counting with fast MAS, J. Magn. Reson. 138, 167-172 (1999).
23. 19F, J. Magn. Reson. 99, 149-160 (1992).
24. 13C nuclear magnetic resonance spectroscopy of organic solids, J. Chem. Phys. 110, 2749-2752 (1999).
25. K. K. Gleason, Creating multiple-quantum coherences in solids, Concepts Magn. Reson. 5, 199-216 (1993).
26. A. E. Bennett, R. G. Griffin, and S. Vega, Recoupling of homo- and heteronuclear dipolar interactions in rotating solids, NMR Basic Principles and Progress 33, 1-77 (1994).
27. S. Dusold and A. Sebald, Dipolar recoupling under magic-angle-spinning conditions, Ann. Rep. NMR Spectrosc. 41, 185-264 (2000).
28. D. M. Gregory, M. A. Metha, J. C. Shiels, and G. P. Drobny, Determination of local structure in solid nucleic acids using double quantum nuclear magnetic resonance spectroscopy, J. Chem. Phys. 107, 28-42 (1997).
29. M. Eden and M. H. Levitt, Excitation of carbon-13 triple quantum coherence in magic-angle-spinning NMR, Chem. Phys. Lett. 293, 173-179 (1998).
30. G. Metz, X. Wu, and S. O. Smith, Ramped-amplitude cross polarization in magic-angle-spinning NMR, J. Magn. Reson. A 110, 219-227 (1994).
31. M. Hohwy, H. J. Jakobsen, M. Eden, M. H. Levitt, and N. C. Nielsen, Broadband dipolar recoupling in the nuclear magnetic resonance of rotating solids: A compensated C7 pulse sequence, J. Chem. Phys. 108, 2686-2694 (1998).
32. Y. K. Lee, N. D. Kurur, M. Helmle, O. G. Johannessen, N. C. Nielsen, and M. H. Levitt, Efficient dipolar recoupling in the NMR of rotating solids. A sevenfold symmetric radiofrequency pulse sequence, Chem. Phys. Lett. 242, 304-309 (1995).
33. M. Eden and M. H. Levitt, Pulse sequence symmetries in the nuclear magnetic resonance of spinning solids: Application to heteronuclear decoupling, J. Chem. Phys. 111, 1511-1519 (1999).
34. A. Brinkmann, M. Eden, and M. H. Levitt, Synchronous helical pulse sequences in magic-angle-spinning NMR. Double quantum spectroscopy of recoupled multiple-spin systems, J. Chem. Phys., in press.
35. A. Brinkmann, M. Eden, and M. H. Levitt, Double-quantum magic-angle-spinning NMR. Phase timing relationships and the compensation of chemical and Bloch-Siegert shifts, unpublished manuscript (1999).
36. M. Munowitz, A. Pines, and M. Mehring, Multiple-quantum dynamics in NMR: A directed walk through Liouville space, J. Chem. Phys. 86, 3172-3182 (1987).
37. 13C NMR experiments, J. Magn. Reson. 139, 302-307 (1999).
38. M. Carravetta, M. Eden, X. Zhao, A. Brinkmann, and M. H. Levitt, Symmetry principles for the design of radiofrequency pulse sequences in the nuclear magnetic resonance of rotating solids, Chem. Phys. Lett., in press.
39. T. Gullion, D. B. Baker, and M. S. Conradi, New, compensated Carr-Purcell sequences, J. Magn. Reson. 89, 479-484 (1990).
40. R. R. Ernst, G. Bodenhausen, and A. Wokaun, "Principles of Nuclear Magnetic Resonance in One and Two Dimensions," Clarendon Press, Oxford (1987).
41. D. A. Varshalovich, A. N. Moskalev, and V. K. Khersonskii, "Quantum Theory of Angular Momentum," World Scientific, Singapore (1988).
42. J. Jeener, Superoperators in magnetic resonance, Adv. Magn. Reson. 10, 1 (1982).
43. M. Hohwy, C. M. Rienstra, C. P. Jaroniec, and R. G. Griffin, Fivefold symmetric homonuclear dipolar recoupling in rotating solids: Application to double quantum spectroscopy, J. Chem. Phys. 110, 7983-7992 (1999).
44. V. Lalitha, E. Subramanian, and J. Bordner, Structure and conformation of linear peptides: Part IV - Crystal structure of L-Alanylglycyl-glycine monohydrate, Ind. J. Pure Appl. Phys. 23, 506-508 (1985).
45. K. Nomura, K. Takegoshi, T. Terao, K. Uchida, and M. Kainosho, Determination of the complete structure of a uniformly labelled molecule by rotational resonance solid-state NMR in the tilted rotating frame, J. Am. Chem. Soc. 121, 4064-4065 (1999).
46. M. H. Levitt and R. R. Ernst, Multiple-quantum excitation and spin topology filtration in high-resolution NMR, J. Chem. Phys. 83, 3297-3310 (1985).
47. B. Reif, M. Hennig, and C. Griesinger, Direct measurement of angles between bond vectors in high-resolution NMR, Science 276, 1230-1233 (1997).
48. S. Ravindranathan, X. Feng, T. Karlsson, G. Widmalm, and M. H. Levitt, Investigation of carbohydrate conformation in solution and in powders by double-quantum NMR, J. Am. Chem. Soc. 122, 1102-1115 (2000).