Application of the Filter Diagonalization Method to One- and Two-Dimensional NMR Spectra

Journal of Magnetic Resonance

Volumn 133, Issue 2, 1998, Pages 304-312

  Mandelshtam, Vladimir A ^a   Taylor, Howard S ^b   Shaka, A J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

2D NMR data processing; Filter diagonalization method (FDM); J spectroscopy; Linear prediction; Phase twist lineshape

Indexed keywords

EID: 0000188085     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmre.1998.1476     Document Type: Article

References (34)

1. R. R. Ernst, G. Bodenhausen, and A. Wokaun, "Principles of Nuclear Magnetic Resonance in One and Two Dimensions," Clarendon Press, Oxford (1987).
2. G. Bodenhausen, R. Freeman, R. Niedermeyer, and D. L. Turner, Double Fourier transformation in high-resolution NMR, J. Magn. Reson. 26, 133-164 (1977).
3. W. P. Aue, J. Karhan, and R. R. Ernst, Homonuclear broad band decoupling and two-dimensional J-resolved NMR spectroscopy, J. Chem. Phys. 64, 4226-4227 (1976).
4. M. R. Wall and D. Neuhauser, Extraction, through filter-diagonalization, of general quantum eigenvalues or classical normal mode frequencies from a small number of residues or a short-time segment of a signal. I. Theory and application to a quantum-dynamics model, J. Chem. Phys. 102, 8011-8022 (1995).
5. V. A. Mandelshtam and H. S. Taylor, Spectral analysis of time correlation function for a dissipative dynamical system using filter diagonalization: Application to calculation of unimolecular decay rates, Phys. Rev. Lett. 78, 3274-3277 (1997).
6. V. A. Mandelshtam and H. S. Taylor, Harmonic inversion of time signals and its applications, J. Chem. Phys. 107, 6756-6769 (1997).
7. V. A. Mandelshtam and H. S. Taylor, Multi-dimensional harmonic inversion by filter diagonalization, J. Chem. Phys., in press.
8. V. A. Mandelshtam, H. Hu, and A. J. Shaka, Two-dimensional HSQC NMR spectra obtained using a self-compensating double pulsed field gradient and processed using the filter diagonalization method, Magn. Reson. Chem., in press.
9. J. W. Pang, D. Neuhauser, and N. Moiseyev, Photoabsorption probability for a system governed by a time-dependent Hamiltonian through the (t, t′) formalism, J. Chem. Phys. 106, 6839-6847 (1997).
10. T. P. Grozdanov, L. Andric, C. Manescu, and R. McCarroll, Discrete variable representation for highly excited states of hydrogen atoms in magnetic fields, Phys. Rev. A 56, 1865-1871 (1997).
11. E. Narevicius, D. Neuhauser, H. J. Korsch, and N. Moiseyev, Resonances from short time complex-scaled cross-correlation probability amplitudes by the filter-diagonalization method, Chem. Phys. Lett. 276, 250-254 (1997).
12. J. W. Pang and D. Neuhauser, Application of generalized filter-diagonalization to extract instantaneous normal modes, Chem. Phys. Lett. 252, 173-180 (1996).
13. P. Jungwirth, B. Schmidt, and N. Moiseyev, Vibrationally resolved spectra from short-time quantum molecular dynamics by the filter-diagonalization method, Chem. Phys. Lett. 280, 177-184 (1997).
14. H. Hu, Q. N. Van, V. A. Mandelshtam, and A. J. Shaka, Reference deconvolution, phase correction and line listing of NMR spectra by the 1D filter diagonalization method, submitted for publication.
15. G. R. B. Prony, J. Ec. Polytech. (Paris) 1, 22 (1795).
16. S. Marple, Jr., "Digital Spectral Analysis with Applications," Prentice-Hall, Englewood Cliffs, NJ (1987).
17. R. Roy, B. G. Sumpter, G. A. Pfeffer, S. K. Gray, and D. W. Noid, Novel methods for spectral analysis, Comput. Phys. Rep. 205, 109-152 (1991).
18. H. Barkhuijsen, R. de Beer, W. M. M. J. Bovée, and D. van Ormondt, Retrieval of frequencies, amplitudes, damping factors, and phases from time-domain signals using a linear least-squares procedure, J. Magn. Reson. 61, 465-481 (1985).
19. J. Tang and J. R. Norris, LPZ spectral analysis using linear prediction and the z-transform, J. Chem. Phys. 84, 5210-5211 (1986).
20. H. Gesmar and J. J. Led, Spectral estimation of complex time-domain NMR signals by linear prediction, J. Magn. Reson. 76, 183-192 (1988).
21. D. S. Stephenson, Linear prediction and maximum entropy methods in NMR spectroscopy, Prog. NMR Spectrosc. 20, 515-626 (1988).
22. G. Zhu and A. Bax, Improved linear prediction for truncated signals of known phase, J. Magn. Reson. 90, 405-410 (1990).
23. R. de Beer and D. van Ormondt, Analysis of NMR data using time domain fitting procedures, NMR Basic Prin. Prog. 26, 201-248 (1992).
24. H. Gesmar and P. C. Hansen, Fast linear prediction and its application to NMR spectroscopy, J. Magn. Reson. A 106, 236-240 (1994).
25. Y.-Y. Lin, P. Hodgkinson, M. Ernst, and A. Pines, A novel detection-estimation scheme for noisy NMR signals: Applications to delayed acquisition data, J. Magn. Reson. 128, 30-41 (1997).
26. J. C. Hoch and A. S. Stern, "NMR Data Processing," Wiley-Liss, New York (1996).
27. G. A. Zhu and A. Bax, Two-dimensional linear prediction for signals truncated in both dimensions, J. Magn. Reson. 98, 192-199 (1992).
28. H. Gesmar and J. J. Led, Two-dimensional linear-prediction NMR spectroscopy, J. Magn. Reson. 83, 53-64 (1989).
29. H. Gesmar and J. J. Led, The application of the linear prediction principle to NMR spectroscopy, in "Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy" (J. C. Hoch, F. M. Poulson, and C. Redfield, Eds.), pp. 67-85, Plenum Press, New York (1991).
30. J. Tang and J. Norris, LP-ZOOM, a linear prediction method for local spectral analysis of NMR signals, J. Magn. Reson. 79, 190-196 (1988).
31. M. H. Levitt and R. Freeman, Compensation for pulse imperfections in NMR spin-echo experiments, J. Magn. Reson. 43, 65-80 (1981).
32. A. Bax, R. Freeman, and G. A. Morris, A simple method for suppressing dispersion-mode contributions in NMR spectra: The "pseudo echo," J. Magn. Reson. 43, 333-338 (1981).
33. A. J. Shaka, J. Keeler, and R. Freeman, Separation of chemical shifts and spin coupling in proton NMR. Elimination of dispersion signals from two-dimensional spectra, J. Magn. Reson. 56, 294-313 (1984).
34. B. Blümich and D. Ziessow, Skyline projections in two-dimensional NMR spectroscopy, J. Magn. Reson. 49, 151-154 (1982).