Regularized resolvent transform for direct calculation of 45° projections of 2D J spectra

Journal of Magnetic Resonance

Volumn 164, Issue 1, 2003, Pages 136-144

  Armstrong, Geoffrey S ^a   Chen, Jianhan ^a   Cano, Kristin E ^a   Shaka, A J ^a   Mandelshtam, Vladimir A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

2D J spectrum; Filter diagonalization method; Regularized resolvent transform; Resolution enhancement; Spectral estimation

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS; FOURIER TRANSFORMS; MAGNETIC FILTERS; PROBLEM SOLVING;

FILTER DIAGONALIZATION METHOD (FDM);

MAGNETIC RESONANCE;

PROTON; SUCROSE;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; EVALUATION; MAGNETISM; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUALITY CONTROL; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY; SIGNAL PROCESSING; VALIDATION STUDY;

ALGORITHMS; COMPUTER SIMULATION; MAGNETIC RESONANCE SPECTROSCOPY; MAGNETICS; MODELS, MOLECULAR; PROTONS; QUALITY CONTROL; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY; SIGNAL PROCESSING, COMPUTER-ASSISTED; SUCROSE;

EID: 0142197149     PISSN: 10907807     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1090-7807(03)00129-0     Document Type: Article

References (18)

1. Aue W.P., Karhan J., Ernst R.R. Homonuclear broad-band decoupling and 2-dimensional J-resolved NMR spectroscopy. J. Chem. Phys. 64:1976;4226-4227.
2. Bodenhausen G., Freeman R., Niedermeyer R., Turner D.L. Double Fourier transformation in high-resolution NMR. J. Magn. Reson. 26:1977;133-164.
3. Bax A., Freeman R. Investigation of complex networks of spin-spin coupling by two-dimensional NMR. J. Magn. Reson. 44:1981;542-561.
4. Demarco A., Wüthrich K. Digital filtering with a sinusoidal window function - alternative technique for resolution enhancement in FT NMR. J. Magn. Reson. 24:1976;201-204.
5. Chen J., Shaka A.J., Mandelshtam V.A. RRT: The regularized resolvent transform for high resolution spectral estimation. J. Magn. Reson. 147:2000;129-137.
6. Mandelshtam V.A., Taylor H.S. Multidimensional harmonic inversion by filter-diagonalization. J. Chem. Phys. 108:1998;9970-9977.
7. Wall M.R., Dieckmann T., Feigon J., Neuhauser D. Two-dimensional filter-diagonalization: spectral inversion of 2D NMR time-correlation signals including degeneracies. Chem. Phys. Lett. 291:1998;465-470.
8. Mandelshtam V.A., Taylor H.S., Shaka A.J. Application of the filter diagonalization method to one- and two-dimensional NMR spectra. J. Magn. Reson. 133:1998;304-312.
9. Mandelshtam V.A., Taylor N.D., Hu H., Smith M., Shaka A.J. Highly resolved double absorption 2D NMR spectra from complex severely truncated 2D phase modulated signals by filter-diagonalization-averaging method. Chem. Phys. Lett. 305:1999;209-216.
10. Mandelshtam V.A. The multidimensional filter diagonalization method. I. Theory and numerical implementation. J. Magn. Reson. 144:2000;343-356.
11. Chen J., Mandelshtam V.A., Shaka A.J. Regularization of the filter diagonalization method: FDM2k. J. Magn. Reson. 146:2000;363-368.
12. Mandelshtam V.A. FDM: the filter diagonalization method for data processing in NMR experiments. Prog. Nucl. Magn. Reson. Spectrosc. 38:2001;159-196.
13. Neumaier A. Solving ill-conditioned and singular linear systems: a tutorial on regularization. SIAM Rev. 40:1998;636-666.
14. Demmel J., Kågström B. The generalized Schur decomposition of an arbitrary pencil A-zB: robust software with error bounds and applications. Part I: theory and algorithms. ACM T. Math. Software. 19:1993;160-174.
15. Mandelshtam V.A., Van Q.N., Shaka A.J. Obtaining proton chemical shifts and multiplets from several 1D NMR signals. J. Am. Chem. Soc. 120:1998;12161-12162.
16. De Angelis A.A., Hu H., Mandelshtam V.A., Shaka A.J. The multidimensional filter diagonalization method. II. Applications to 2D, 3D and 4D NMR experiments. J. Magn. Reson. 144:2000;357-366.
17. De Boor C. A Practical Guide to Splines. 1978;Springer, New York.
18. Smith M.A., Hu H., Shaka A.J. Improved broadband inversion performance for NMR in liquids. J. Magn. Reson. 151:2001;269-283.