Spin-selective multiple quantum excitation: Relative signs of the couplings and ambiguous situations

Journal of Magnetic Resonance

Volumn 194, Issue 2, 2008, Pages 192-201

  Hebbar, Sankeerth ^a   Suryaprakash, N ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

Dipolar couplings; Multiple quantum; Scalar couplings; Sign of the couplings; Spin state selection

Indexed keywords

COUPLINGS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SEPARATION;

CROSS SECTIONING; DIPOLAR COUPLINGS; DISPLACEMENT VECTORS; HETERONUCLEAR; HETERONUCLEAR COUPLINGS; HETERONUCLEAR SPIN SYSTEMS; HOMONUCLEAR; MULTIPLE QUANTUM; NM R SPECTRUM; POLARIZATION OPERATOR; QUANTUM DIMENSIONS; SCALAR COUPLINGS; SIGN OF THE COUPLINGS; SPIN STATE SELECTION; SPIN STATES; SPIN SYSTEMS; TWO DIMENSIONS;

SPIN DYNAMICS;

ACETONITRILE; ACETONITRILE DERIVATIVE; CARBON; NITROGEN;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SPIN LABELING;

ACETONITRILES; ALGORITHMS; CARBON ISOTOPES; COMPUTER SIMULATION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; NITROGEN ISOTOPES; QUANTUM THEORY; SPIN LABELS;

EID: 52949102157     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2008.07.001     Document Type: Article

References (33)

1. Emsley J.W., and Lindon J.C. NMR Spectroscopy Using Liquid Crystal Solvents (1975), Pergamon Press, Oxford
2. Jeener J. Ampere Summer School (1971), Basko Polje, Yugoslavia
3. Aue P., Bartholdi E., and Ernst R.R. Two-dimensional spectroscopy. Application to nuclear magnetic resonance. J. Chem. Phys. 64 (1976) 2229-2246
4. Oschkinat W.H., Pastore A., Pfändler P., and Bodenhausen G. Two-dimensional correlation of directly and remotely connected transitions by z-filtered COSY. J. Magn. Reson. 69 (1986) 559
5. Brüschweiler R., Madsen J.C., Griesinger C., Sørensen O.W., and Ernst R.R. Two-dimensional NMR spectroscopy with soft pulses. J. Magn. Reson. 73 (1987) 380
6. Griesinger C., Sørensen O.W., and Ernst R.R. Two-dimensional correlation of connected NMR transitions. J. Am. Chem. Soc. 107 (1985) 6394
7. Freeman R. The relative signs of NMR spin coupling constants from double irradiation experiments. Mol. Phys. 4 (1961) 385
8. 19F spin coupling constants in fluorobenzenes and 2-fluoropyridine. Org. Magn. Reson. 12 (1979) 243
9. 2J-couplings from spin-sate selective double-/zero-quantum two-dimensional NMR spectra. J. Magn. Reson. 139 (1999) 273
10. 13C) coupling constants in linear spin systems. J. Magn. Reson. 124 (1997) 503
11. Rexroth A., Schmidt P., Szalma S., Geppert T., Schwalbe H., and Griesinger C. New principle for the determination of coupling constants that largely suppresses differential relaxation effects. J. Am. Chem. Soc. 117 (1995) 10389
12. Anderson P., Weigelt J., and Otting G. Spin-state selection filters for the measurement of heteronuclear one-bond coupling constants. J. Biomol. NMR 12 (1988) 435
13. Brutscher B. Accurate measurement of small spin-spin couplings in partially aligned molecules using a novel J-mismatch compensated spin-state-selection filter. J. Magn. Reson. 151 (2001) 332
14. α in protein using an iHN(CA),CO(α/β-J-COHA) experiment. J. Magn. Reson. 163 (2003) 114
15. Duma L.., Hediger S., Lesage A., and Emsley L. Spin-state selection in solid-state NMR. J. Magn. Reson. 164 (2003) 187
16. Duma L., Hediger S., Brutscher B., Böckmann A., and Emsley L. Resolution enhancement in multidimensional solid-state NMR spectroscopy of proteins using spin-state selection. J. Am. Chem. Soc. 125 (2003) 11816
17. Nolis P., Espinosa J.F., and Parella T. Optimum spin-state selection for all multiplicities in the acquisition dimension of the HSQC experiment. J. Magn. Reson. 180 (2006) 39
18. 13C solid-state spectra through spin-state-selection. J. Magn. Reson. 184 (2007) 322
19. Permi P., and Annila A. A new approach for obtaining sequential assignment of large proteins. J. Biomol. NMR 20 (2001) 127
20. Permi P., and Annila A. Transverse relaxation optimized spin-state selective NMR experiments for measurement of residual dipolar couplings. J. Biomol. NMR 16 (2000) 221
21. Permi P. A spin-state-selective experiment for measuring heteronuclear one-bond and homonuclear two-bond couplings from an HSQC-type spectrum. J. Biomol. NMR 22 (2002) 27
22. αcorrelations in proteins using a new time- and sensitivity optimal-experiment. J. Biomol. NMR 31 (2005) 273
23. Würtz P., Fredriksson K., and Permi P. A set of HA-detected experiments for measuring scalar and residual dipolar couplings. J. Biomol. NMR 31 (2005) 321
24. 15N from a time-shared HSQC-IPAP experiment. J. Biomol. NMR 37 (2007) 65
25. Bikash B., and Suryaprakash N. Spin state selective detection of single quantum transitions using multiple quantum coherence: simplifying the analyses of complex NMR spectra. J. Phys. Chem. A 111 (2007) 5211
26. Bikash B., and Suryaprakash N. Spin selective multiple quantum NMR for spectral simplification, determination of relative signs, and magnitudes of scalar couplings by spin state selection. J. Chem. Phys. 127 (2007) 214510
27. Braunschweiler L., Bodenhausen G., and Ernst R.R. Analysis of networks of coupled spins by multiple quantum NMR. Mol. Phys. 48 (1983) 535
28. Warren W.S., and Pines A. Analogy of multiple-quantum NMR to isotopic spin labeling. J. Am. Chem. Soc. 103 (1981) 1613
29. Warren W.S., Weitekamp D.P., and Pines A. Theory of selective excitation of multiple-quantum transitions. J. Chem. Phys. 73 (1980) 2084
30. Field L.D., Pierens G.K., Carpenter T.A., Colebrook L.D., and Hall L.D. Selection of multiple quantum spectra of molecules in liquid crystalline solution using pulsed magnetic field gradients. J. Magn. Reson. 99 (1992) 398
31. Keeler J. Understanding NMR Spectroscopy (2005), John Wiley and Sons, England
32. Englert G., and Saupe A. Molecular geometry of acetonitrile, determined by proton magnetic resonance in nematic solutions. Mol. Cryst. Liq. Cryst. 8 (1969) 233
33. 13C NMR from double selective population transfer. The flip angle effect. J. Magn. Reson. 45 (1981) 325