Skip to main content
Log in

Quantitative covariance NMR by regularization

  • Article
  • Published:
Journal of Biomolecular NMR Aims and scope Submit manuscript

Abstract

The square root of a covariance spectrum, which offers high spectral resolution along both dimensions requiring only few t 1 increments, yields in good approximation the idealized 2D FT spectrum provided that the amount of magnetization exchanged between spins is relatively small. When this condition is violated, 2D FT and covariance peak volumes may differ. A regularization method is presented that produces a modified covariance spectrum with cross-peak volumes that closely match their 2D FT analogues. The method is demonstrated for TOCSY spectra with variable mixing times.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Fig. 1
Fig. 2
Fig. 3

Similar content being viewed by others

References

  • Aue WP, Bartholdi E, Ernst RR (1976) 2-dimensional spectroscopy—application to nuclear magnetic-resonance. J Chem Phys 64:2229–2246

    Article  ADS  Google Scholar 

  • Baumann R, Wider G, Ernst RR, Wüthrich K (1981) Improvement of 2D NOE and 2D correlated spectra by symmetrization. J Magn Reson 44:402–406

    Google Scholar 

  • Bax A, Davis DG (1985) Mlev-17-based two-dimensional homonuclear magnetization transfer spectroscopy. J Magn Reson 65:355–360

    Google Scholar 

  • Bodenhausen G, Freeman R, Niedermeyer R, Turner DL (1977) Double fourier transformation in high-resolution NMR. J Magn Reson 26:133–164

    Google Scholar 

  • Braunschweiler L, Ernst RR (1983) Coherence transfer by isotropic mixing—application to proton correlation spectroscopy. J Magn Reson 53:521–528

    Google Scholar 

  • Brüschweiler R (2004) Theory of covariance nuclear magnetic resonance spectroscopy. J Chem Phys 121:409-414

    Article  ADS  Google Scholar 

  • Brüschweiler R, Zhang F (2004) Covariance nuclear magnetic resonance spectroscopy. J Chem Phys 120:5253–5260

    Article  ADS  Google Scholar 

  • Chen Y, Zhang F, Bermel W, Brüschweiler R (2006) Enhanced covariance spectroscopy from minimal datasets. J Am Chem Soc 128:15564–15565

    Article  Google Scholar 

  • Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A (1995) Nmrpipe—a multidimensional spectral processing system based on unix pipes. J Biomol NMR 6:277–293

    Article  Google Scholar 

  • Jeener J, Meier BH, Bachmann P, Ernst RR (1979) Investigation of exchange processes by 2-dimensional NMR-spectroscopy. J Chem Phys 71:4546–4553

    Article  ADS  Google Scholar 

  • Kessler H, Müller A, Pook KH (1989) Assignment of all proton, carbon, and nitrogen NMR signals of antamanide in chloroform solution. Liebigs Annalen der Chemie 903–912

  • Lenz EM, Wilson ID (2007) Analytical strategies in metabonomics. J Proteome Res 6:443-458

    Article  Google Scholar 

  • Tikhonov AN, Arsenin VA (1977) Solution of ill-posed problems. Washington, Winston & Sons

    Google Scholar 

  • Trbovic N, Smirnov S, Zhang F, Brüschweiler R (2004) Covariance NMR spectroscopy by singular value decomposition. J Magn Reson 171:277–283

    Article  ADS  Google Scholar 

  • Vinarov DA, Markley JL (2005) High-throughput automated platform for nuclear magnetic resonance-based structural proteomics. Expert Rev Proteomics 2:49–55

    Article  Google Scholar 

Download references

Acknowledgments

This work was supported by the National Institutes of Health (grant GM 066041).

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Rafael Brüschweiler.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Chen, Y., Zhang, F., Snyder, D. et al. Quantitative covariance NMR by regularization. J Biomol NMR 38, 73–77 (2007). https://doi.org/10.1007/s10858-007-9148-8

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10858-007-9148-8

Keywords

Navigation