Two-dimensional Fourier transform of arbitrarily sampled NMR data sets.

A new procedure for Fourier transform with respect to more than one time variable simultaneously is proposed for NMR data processing. In the case of two-dimensional transform the spectrum is calculated for pairs of frequencies, instead of conventional sequence of one-dimensional transforms. Therefore, it enables one to Fourier transform arbitrarily sampled time domain and thus allows for analysis of high dimensionality spectra acquired in a short time. The proposed method is not limited to radial sampling, it requires only to fulfill the Nyquist theorem considering two or more time domains at the same time. We show the application of new approach to the 3D HNCO spectrum acquired for protein sample with radial and spiral time domain sampling.

[1]  Thomas Bülow,et al.  Hypercomplex signals-a novel extension of the analytic signal to the multidimensional case , 2001, IEEE Trans. Signal Process..

[2]  D. States,et al.  A two-dimensional nuclear overhauser experiment with pure absorption phase in four quadrants☆ , 1982 .

[3]  C. Griesinger,et al.  Novel strategies for sensitivity enhancement in heteronuclear multi—dimensional NMR experiments employing pulsed field gradients , 1995, Journal of biomolecular NMR.

[4]  Dominique Marion,et al.  Fast acquisition of NMR spectra using Fourier transform of non-equispaced data , 2005, Journal of biomolecular NMR.

[5]  Michael Felsberg,et al.  Optimized Fast Algorithms for the Quaternionic Fourier Transform , 1999, CAIP.

[6]  R. R. Ernst,et al.  Application of Fourier Transform Spectroscopy to Magnetic Resonance , 1966 .

[7]  Ray Freeman,et al.  Distant echoes of the accordion: Reduced dimensionality, GFT-NMR, and projection-reconstruction of multidimensional spectra , 2004 .

[8]  A. J. Shaka,et al.  Rapid high-resolution four-dimensional NMR spectroscopy using the filter diagonalization method and its advantages for detailed structural elucidation of oligosaccharides. , 2005, Journal of magnetic resonance.

[9]  Martin Billeter,et al.  High-throughput analysis of protein NMR spectra , 2005 .

[10]  R. Freeman,et al.  Projection-reconstruction of three-dimensional NMR spectra. , 2003, Journal of the American Chemical Society.

[11]  Lucio Frydman,et al.  The acquisition of multidimensional NMR spectra within a single scan , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[12]  J. Weigelt.  Single Scan, Sensitivity- and Gradient-Enhanced TROSY for Multidimensional NMR Experiments , 1998 .

[13]  Richard R. Ernst,et al.  The accordion experiment, a simple approach to three-dimensional NMR spectroscopy , 1981 .

[14]  R. Freeman,et al.  New methods for fast multidimensional NMR , 2003, Journal of biomolecular NMR.

[15]  P. Wright,et al.  Sensitivity improvement in proton-detected two-dimensional heteronuclear correlation NMR spectroscopy , 1991 .

[16]  B. Simon,et al.  Speeding up biomolecular NMR spectroscopy. , 2004, Angewandte Chemie.

[17]  Arash Bahrami,et al.  High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection. , 2005, Journal of the American Chemical Society.

[18]  Ad Bax,et al.  Rapid recording of 2D NMR spectra without phase cycling. Application to the study of hydrogen exchange in proteins , 1989 .

[19]  Paul A. Keifer,et al.  Pure absorption gradient enhanced heteronuclear single quantum correlation spectroscopy with improved sensitivity , 1992 .

[20]  T. Szyperski,et al.  GFT NMR, a new approach to rapidly obtain precise high-dimensional NMR spectral information. , 2003, Journal of the American Chemical Society.

[21]  R. Riek,et al.  Attenuated T2 relaxation by mutual cancellation of dipole-dipole coupling and chemical shift anisotropy indicates an avenue to NMR structures of very large biological macromolecules in solution. , 1997, Proceedings of the National Academy of Sciences of the United States of America.

[22]  A. Stern,et al.  Accelerated acquisition of high resolution triple-resonance spectra using non-uniform sampling and maximum entropy reconstruction. , 2004, Journal of magnetic resonance.

[23]  Ray Freeman,et al.  The Radon Transform: A New Scheme for Fast Multidimensional NMR , 2004 .

[24]  M. Billeter,et al.  Signal identification in NMR spectra with coupled evolution periods. , 2005, Journal of magnetic resonance.

[25]  Thomas Szyperski,et al.  Reduced-dimensionality NMR spectroscopy for high-throughput protein resonance assignment , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[26]  W. Koźmiński,et al.  Multiple quadrature detection in reduced dimensionality experiments , 2003, Journal of biomolecular NMR.