Selective measurements of long-range homonuclear J-couplings in solid-state NMR This work is dedicated to the memory of Dr. Jean-Pierre Dulcère, who co-founded the NMR center at Aix-Marseille Université.

Journal of Magnetic Resonance

Volumn 231, Issue , 2013, Pages 90-94

  Thureau, Pierre ^a   Mollica, Giulia ^a   Ziarelli, Fabio ^b   Viel, Stéphane ^a  

^a AIX MARSEILLE UNIV   (France)

^b Aix Marseille University   (France)

Author keywords

J couplings; Long range coupling; MAS; Selective pulse; Solid state NMR

Indexed keywords

EXPERIMENTAL DATUM; FREQUENCY-SELECTIVE; INCOHERENT RELAXATION; J-COUPLINGS; MAS; SELECTIVE MEASUREMENTS; SELECTIVE PULSE; SOLID STATE NMR;

AMINO ACIDS; EXPERIMENTS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLID STATE PHYSICS; SPIN POLARIZATION;

COUPLINGS;

CARBON; HISTIDINE; NITROGEN;

ALGORITHM; ARTICLE; CHEMISTRY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY;

ALGORITHMS; CARBON ISOTOPES; HISTIDINE; NITROGEN ISOTOPES; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY;

EID: 84877051406     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2013.03.010     Document Type: Article

References (51)

1. J.L. Marshall, D.E. Miiller, S.A. Conn, R. Seiwell, and A.M. Ihrig Long-range carbon-proton and carbon-carbon spin-spin coupling constants Acc. Chem. Res. 7 1974 333 339
2. W. Braun Distance geometry and related methods for protein structure determination from NMR data Q. Rev. Biophys. 19 1987 115 157
3. A. Lesage Indirect coupling and connectivity R.K. Harris, R. Wasylishen, Encyclopedia of Nuclear Magnetic Resonance 2008 John Wiley & Sons, Ltd. Chichester
4. R.H. Contreras, J.E. Peralta, C.G. Giribet, M.C.R. de Azua, and J.C. Facelli Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants Annu. Rep. Nucl. Magn. Reson. Spectrosc. vol. 41 2000 Academic Press pp. 55-184
5. J. Vaara, J. Jokisaari, R.E. Wasylishen, and D.L. Bryce Spin-spin coupling tensors as determined by experiment and computational chemistry Prog. Nucl. Magn. Reson. 41 2002 233 304
6. M. Karplus Vicinal proton coupling in nuclear magnetic resonance J. Am. Chem. Soc. 85 1963 2870 2871
7. Z. Chen, Y. Huang, Y. Lin, and S. Cai Accurate Measurement of Small J Couplings Annu. Rep. Nucl. Magn. Reson. Spectrosc. vol. 72 2011 Academic Press pp. 157-183
8. M. Baldus, and B. Meier Total correlation spectroscopy in the solid state. The use of scalar couplings to determine the through-bond connectivity J. Magn. Reson. A 121 1996 65 69
9. M. Baldus, R.J. Iuliucci, and B.H. Meier Probing through-bond connectivities and through-space distances in solids by magic-angle-spinning nuclear magnetic resonance J. Am. Chem. Soc. 119 1997 1121 1124
10. 13C correlation spectroscopy for assigning protein resonances with solid-state NMR spectroscopy J. Am. Chem. Soc. 128 2006 9992 9993
11. 31P CP-MAS COSY and J-resolved spectra of a phosphine complex of Hg(II) J. Magn. Reson. 83 1989 637 642
12. 31P cross-polarization magic-angle-spinning nuclear magnetic resonance studies on two-spin systems with homonuclear dipolar coupling and J-coupling J. Chem. Phys. 92 1990 7156 7170
13. G. Wu, and R.E. Wasylishen Homonuclear phosphorus-31 J-resolved 2D spectra of rhodium(I) phosphine complexes in the solid state Inorg. Chem. 31 1992 145 148
14. 3 J. Phys. Chem. C 113 2009 2562 2572
15. 31P MAS refocused INADEQUATE spin-echo (REINE) NMR spectroscopy: revealing J-coupling and chemical shift two-dimensional correlations in disordered solids J. Am. Chem. Soc. 131 2009 11861 11874
16. 29Si MAS NMR peaks from Si-Al permutation on neighboring T sites of unequal Si-O-T angles: direct evidence from J-resolved experiment on K-cymrite J. Phys. Chem. C 116 2012 10714 10722
17. D. Massiot, F. Fayon, M. Deschamps, S. Cadars, P. Florian, V. Montouillout, N. Pellerin, J. Hiet, A. Rakhmatullin, and C. Bessada Detection and use of small J-couplings in solid state NMR experiments C. R. Chim. 13 2010 117 129
18. L. Duma, W.C. Lai, M. Carravetta, L. Emsley, S.P. Brown, and M.H. Levitt Principles of spin-echo modulation by J-couplings in magic-angle-spinning solid-state NMR ChemPhysChem 5 2004 815 833
19. S.P. Brown, M. Perez-Torralba, D. Sanz, R.M. Claramunt, and L. Emsley Determining hydrogen-bond strengths in the solid state by NMR: the quantitative measurement of homonuclear J-couplings Chem. Commun. 2002 1852 1853
20. 15N spin-echo MAS NMR Phys. Chem. Chem. Phys. 9 2007 3416 3423
21. 13C J couplings in a solid-state cellulose sample J. Magn. Reson. 171 2004 43 47
22. S. Cadars, A. Lesage, M. Trierweiler, L. Heux, and L. Emsley NMR measurements of scalar-coupling distributions in disordered solids Phys. Chem. Chem. Phys. 9 2007 92 103
23. 17O connectivities and proximities by solid-state NMR spectroscopy J. Am. Chem. Soc. 131 2009 1820 1834
24. BB coupling constants for lithium diborate Phys. Chem. Chem. Phys. 13 2011 5778 5789
25. X. Miao, and R. Freeman Spin-echo modulation experiments with soft gaussian pulses J. Magn. Reson. Ser. A 119 1996 90 100
26. S. Cadars, A. Lesage, N. Hedin, B.F. Chmelka, and L. Emsley Selective NMR measurements of homonuclear scalar couplings in isotopically enriched solids J. Phys. Chem. B 110 2006 16982 16991
27. J. Trébosc, J. Amoureux, L. Delevoye, J. Wiench, and M. Pruski Frequency-selective measurement of heteronuclear scalar couplings in solid-state NMR Solid State Sci. 6 2004 1089 1095
28. L. Duma, S. Hediger, B. Brutscher, A. Bockmann, and L. Emsley Resolution enhancement in multidimensional solid-state NMR spectroscopy of proteins using spin-state selection J. Am. Chem. Soc. 125 2003 11816 11817
29. Y. Li, B.J. Wylie, and C.M. Rienstra Selective refocusing pulses in magic-angle spinning NMR: characterization and applications to multi-dimensional protein spectroscopy J. Magn. Reson. 179 2006 206 216
30. 15N-labeled peptides J. Am. Chem. Soc. 123 2001 3507 3519
31. A.K. Paravastu, and R. Tycko Frequency-selective homonuclear dipolar recoupling in solid state NMR J. Chem. Phys. 124 2006 194303
32. G. Pileio, S. Mamone, G. Mollica, I.M. Montesinos, A. Gansmüller, M. Carravetta, S.P. Brown, and M.H. Levitt Estimation of internuclear couplings in the solid-state NMR of multiple-spin systems. Selective spin echoes and off-magic-angle sample spinning Chem. Phys. Lett. 456 2008 116 121
33. E. Mihaliuk, and T. Gullion A frequency-selective REDOR experiment for an SI2 spin system J. Magn. Reson. 193 2008 308 310
34. P. Thureau, A.C. Sauerwein, M. Concistrè, and M.H. Levitt Selective internuclear coupling estimation in the solid-state NMR of multiple-spin systems Phys. Chem. Chem. Phys. 13 2011 93 96
35. J. Becker-Baldus, T.F. Kemp, J. Past, A. Reinhold, A. Samoson, and S.P. Brown Longer-range distances by spinning-angle-encoding solid-state NMR spectroscopy Phys. Chem. Chem. Phys. 13 2011 4514 4518
36. G. Pileio, Y. Guo, T. Pham, J. Griffin, M.H. Levitt, and S.P. Brown Residual dipolar couplings by off-magic-angle spinning in solid-state nuclear magnetic resonance spectroscopy J. Am. Chem. Soc. 129 2007 10972 10973
37. R.S. Thakur, N.D. Kurur, and P.K. Madhu Swept-frequency two-pulse phase modulation for heteronuclear dipolar decoupling in solid-state NMR Chem. Phys. Lett. 426 2006 459 463
38. C. Bauer, R. Freeman, T. Frenkiel, J. Keeler, and A.J. Shaka Gaussian pulses J. Magn. Reson. 58 1984 442 457
39. R. Freeman Shaped radiofrequency pulses in high resolution NMR Prog. Nucl. Magn. Reson. 32 1998 59 106
40. T.-D. Son, S. Fermandjian, E. Sala, R. Mermet-Bouvier, and P. Fromageot Geminal and vicinal carbon-13-carbon-13 coupling constants of 85% carbon-13-enriched amino acids J. Am. Chem. Soc. 97 1975 1267 1269
41. L. Emsley, I. Burghardt, and G. Bodenhausen Double selective inversion in NMR and multiple quantum effects in coupled spin systems J. Magn. Reson. 90 1990 214 220
42. 13C-2] histidine J. Chem. Soc. Chem. Commun. 1978 1070 1071
43. P.K. Madhu, E. Vinogradov, and S. Vega Multiple-pulse and magic-angle spinning aided double-quantum proton solid-state NMR spectroscopy Chem. Phys. Lett. 394 2004 423 428
44. J. Schmidt, A. Hoffmann, H.W. Spiess, and D. Sebastiani Bulk chemical shifts in hydrogen-bonded systems from first-principles calculations and solid-state-NMR J. Phys. Chem. B 110 2006 23204 23210
45. S.A. Joyce, J.R. Yates, C.J. Pickard, and S.P. Brown Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state J. Am. Chem. Soc. 130 2008 12663 12670
46. J.R. Yates Prediction of NMR J-coupling in solids with the planewave pseudopotential approach Magn. Res. Chem. 48 2010 S23 S31
47. P-O-Si coupling constants, antisymmetric parts of shift tensors and NQR predictions Magn. Res. Chem. 48 2010 S86 S102
48. F. Blomberg, W. Maurer, and H. Rueterjans Nuclear magnetic resonance investigation of nitrogen-15-labeled histidine in aqueous solution J. Am. Chem. Soc. 99 1977 8149 8159
49. hJ NC ′ hydrogen-bond scalar couplings in proteins by solid-state NMR spectroscopy Angew. Chem., Int. Ed. 48 2009 9322 9325
50. G. De Paepe, N. Giraud, A. Lesage, P. Hodgkinson, A. Bockmann, and L. Emsley Transverse dephasing optimized solid-state NMR spectroscopy J. Am. Chem. Soc. 125 2003 13938 13939
51. V.S. Mithu, S. Paul, N.D. Kurur, and P.K. Madhu Heteronuclear dipolar decoupling in solid-state nuclear magnetic resonance under ultra-high magic-angle spinning J. Magn. Reson. 209 2011 359 363