Constant time INEPT CT-HSQC (CTi-CT-HSQC) - A new NMR method to measure accurate one-bond J and RDCs with strong 1H-1H couplings in natural abundance

Journal of Magnetic Resonance

Volumn 228, Issue , 2013, Pages 159-165

  Yu, Bingwu ^a   Van Ingen, Hugo ^b   Freedberg, Darón I ^a  

^a CENTER FOR DRUG EVALUATION AND RESEARCH   (United States)

^b UTRECHT UNIVERSITY   (Netherlands)

Author keywords

Carbohydrates; Coupling constant; NMR spectroscopy; Residual dipolar coupling; Strong coupling

Indexed keywords

CONSTANT TIME; COUPLING CONSTANTS; CURVE SHAPE; FREQUENCY DIFFERENCES; HETERONUCLEAR COUPLING; NATURAL ABUNDANCE; RESIDUAL DIPOLAR COUPLINGS; SCALAR COUPLING; SIMULATION DATA; SPECTRAL SIMULATIONS; SPIN SYSTEMS; STRONG COUPLING;

CARBOHYDRATES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SPIN DYNAMICS;

COMPUTER SIMULATION;

CARBON; MANNOSE; N ACETYLGLUCOSAMINE;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER SIMULATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SIGNAL NOISE RATIO; STRUCTURE ACTIVITY RELATION;

ACETYLGLUCOSAMINE; ALGORITHMS; CARBON; CARBON ISOTOPES; COMPUTER SIMULATION; MAGNETIC RESONANCE SPECTROSCOPY; MANNOSE; SIGNAL-TO-NOISE RATIO; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84874190817     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2012.11.007     Document Type: Article

References (36)

1. I. Tvaroska, and F.R. Taravel One-bond carbon-proton coupling constants-angular-dependence in alpha-linked oligosaccharides Carbohydr. Res. 221 1991 83 94
2. I. Tvaroska, and F.R. Taravel One-bond carbon-proton coupling constants-angular-dependence in beta-linked oligosaccharides J. Biomol. NMR 2 1992 421 430
3. J. Cavanagh, W. Fairbrother, A. Palmer, M. Rance, and N. Skelton Protein NMR Spectroscopy second ed. 2007 Academic Press San Diego
4. CH correlates with alcohol hydrogen bond strength J. Org. Chem. 71 2006 2878 2880
5. 13C glucose Tetrahedron Lett. 1969 2921 2924
6. A. Bax, G. Kontaxis, and N. Tjandra T.L. James, V. Dötsch, U. Schmitz, Methods Enzymol. vol. 339(Part B) 2001 Academic Press San Diego 127 174
7. D.I. Freedberg An alternative method for pucker determination in carbohydrates from residual dipolar couplings: a solution NMR study of the fructofuranosyl ring of sucrose J. Am. Chem. Soc. 124 2002 2358 2362
8. K. Lu, X. Heng, L. Garyu, S. Monti, E.L. Garcia, S. Kharytonchyk, B. Dorjsuren, G. Kaulandaivel, S. Jones, A. Hiremath, S.S. Divakaruni, C. LaCotti, S. Barton, D. Tummillo, A. Hosic, K. Edme, S. Albrecht, A. Telesnitsky, and M.F. Summers NMR detection of structures in the HIV-1 5′-leader RNA that regulate genome packaging Science 334 2011 242 245
9. F. Tian, H.M. Al-Hashimi, J.L. Craighead, and J.H. Prestegard Conformational analysis of a flexible oligosaccharide using residual dipolar couplings J. Am. Chem. Soc. 123 2001 485 492
10. N. Tjandra, and A. Bax Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium Science 278 1997 1111 1114
11. J.R. Tolman, H.M. Al-Hashimi, L.E. Kay, and J.H. Prestegard Structural and dynamic analysis of residual dipolar coupling data for proteins J. Am. Chem. Soc. 123 2001 1416 1424
12. R.M. Venable, F. Delaglio, S.E. Norris, and D.I. Freedberg The utility of residual dipolar couplings in detecting motion in carbohydrates: application to sucrose Carbohydr. Res. 340 2005 863 874
13. 13C dipolar couplings measurements J. Magn. Reson. 180 2006 72 82
14. H.F. Azurmendi, and C.A. Bush Conformational studies of blood group A and blood group B oligosaccharides using NMR residual dipolar couplings Carbohydr. Res. 337 2002 905 915
15. K. Kobzar, H. Kessler, and B. Luy Stretched gelatin gels as chiral alignment media for the discrimination of enantiomers by NMR spectroscopy Angew. Chem. 44 2005 3145 3147
16. J. Yan, A.D. Kline, H. Mo, M.J. Shapiro, and E.R. Zartler The absolute sign of J coupling constants determined using the order matrix calculation Magn. Reson. Chem. 42 2004 962 967
17. C. Thiele, and W. Bermel Speeding up the measurement of one-bond scalar (1J) and residual dipolar couplings (1D) by using non-uniform sampling (NUS) J. Magn. Reson. 216 2012 134 143
18. 1JCH-modulated spectra with the bird inversion pulse J. Magn. Reson. 157 2002 200 209
19. V.M. Sanchez-Pedregal, R. Santamaria-Fernandez, and A. Navarro-Vazquez Residual dipolar couplings of freely rotating groups in small molecules. Stereochemical assignment and side-chain conformation of 8-phenylmenthol Org. Lett. 11 2009 1471 1474
20. r module J. Magn. Reson. 163 2003 340 346
21. 1H coupling constants in the protein backbone J. Magn. Reson. 140 1999 259 263
22. M. Ottiger, F. Delaglio, and A. Bax Measurement of J and dipolar couplings from simplified two-dimensional NMR spectra J. Magn. Reson. 131 1998 373 378
23. 1H scalar and residual dipolar couplings from gradient-enhanced IPAP-HSQC experiments on protonated proteins J. Biomol. NMR 43 2009 161 170
24. S. Uhrinova, D. Uhrin, T. Liptaj, J. Bella, and J. Hirsch Measurement of one-bond proton-carbon coupling constants of saccharides Magn. Reson. Chem. 29 1991 912 922
25. 13C NMR J. Am. Chem. Soc. 130 2008 11892 11900
26. 13C spin coupling constants to assess furanose ring and glycosidic bond conformations in aqueous solution Carbohydr. Res. 249 1993 281 303
27. 13C-substituted carbohydrates Carbohydr. Res. 226 1992 209 218
28. HH strong coupling in natural abundance J. Magn. Reson. 215 2012 10 22
29. CH splittings from magnetic field dependence of J modulation in two-dimensional NMR spectra J. Magn. Reson. 124 1997 512 515
30. F. Delaglio, S. Grzesiek, G.W. Vuister, G. Zhu, J. Pfeiffer, and A. Bax NMRPipe: a multidimensional spectral processing system based on UNIX pipes J. Biomol. NMR 6 1995 277 293
31. 13C decoupling J. Magn. Reson. 98 1992 428 435
32. O.W. Sörensen, M.H. Eich, M.H. Levitt, G. Bodenhausen, and R.R. Ernst Product operator formalism for the description of NMR pulse experiments Prog. NMR Spect. 16 1983 163 192
33. A. Enthart, J.C. Freudenberger, J. Furrer, H. Kessler, and B. Luy The CLIP/CLAP-HSQC: pure absorptive spectra for the measurement of one-bond couplings J. Magn. Reson. 192 2008 314 322
34. L.E. Kay, and R.E.D. McClung A product operator description of AB and ABX spin systems J. Magn. Reson. 78 1988 172 177
35. 1H residual dipolar couplings in RNA J. Biomol. NMR 43 2009 121 129
36. 1H residual dipolar couplings measured in highly deuterated proteins J. Am. Chem. Soc. 124 2002 14616 14625