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Simultaneous Spectral Resolution and Sensitivity Enhancement in MR spectrum: Maximum Likelihood Deconvolution Reconstruction

  • Jeong, Gwang-Woo (Department of Radiology, Chonnam National University Hospital, Chonnam National University Medical School) ;
  • Jeong, Jenny Eunice (Department of Electronics Engineering, Ewha Womans University) ;
  • Kang, Heoung-Keun (Department of Radiology, Chonnam National University Hospital, Chonnam National University Medical School)
  • Received : 2011.11.30
  • Accepted : 2011.12.13
  • Published : 2011.12.20

Abstract

Although the use of apodization functions in connection with postprocessing of a 2D NMR spectrum proves improved spectral quality, there is usually a trade-off between resolution enhancement and noise suppression due to a classical "uncertainty principle." In this study, therefore, a mathematical deconvolution technique called "Maximum Likelihood Deconvolution (MLD)" was adopted to achieve the spectral resolution and sensitivity enhancement simultaneously. The MLD technique greatly facilitates visualization and restoration of the genuine spectral information from complex 2D NMR spectra that would be problematic with the conventional apodization/FT processing. In particular, application of the MLD to the 2D-NOE spectrum would be very useful to derive the important proton connectivities, which are essential to achieve elucidating the 3D molecular structure.

Keywords

References

  1. I. Bertini, C. Luchinat, G. Parigi, "Solution NMR of Paramagnetic Molecules" Elsevier Science B. V., Amsterdam, (2001).
  2. R. R. Ernst, CHIMIA 41, 323, (1987)
  3. A. Bax, Annu. Rev. Biochem. 58, 223, (1989) https://doi.org/10.1146/annurev.bi.58.070189.001255
  4. T. James and V. J. Basus, Annu. Rev. Phys. Chem. 42, 501, (1991) https://doi.org/10.1146/annurev.pc.42.100191.002441
  5. G. M. Clore , A. M. Gronenborn, Science 252(5011), 1390, (1991) https://doi.org/10.1126/science.2047852
  6. G. Wagner, V. Thanabal, B. J. Stockman, J. W. Peng, N. R. Nirmala, S. G. Hyberts, M. S. Goldberg, D. J. Detlefsen, R. T. Clubb, M. Adler, Biopolymers 32(4), 381, (1992) https://doi.org/10.1002/bip.360320414
  7. G.W. Jeong, H. K. Kang, Concepts Magn. Reson. 18A, 146, (2003) https://doi.org/10.1002/cmr.a.10071
  8. G. C. Levy, P. N. Borer, G. W. Jeong, "Deconvolution and Quantitative Enhancement of Multidimensional Spectra," Computer-Enhanced Analytical Spectroscopy, edited by C. L. Wilkins, Plenum Press, New York(1993)
  9. G. W. Jeong, S. Wang, P. N. Borer, G. C. Levy, J. Magn. Reson. A103, 123, (1993)
  10. C. Griesinger, O. W. Sorensen, R. R. Ernst, J. Mag. Reson. 84, 14, (1989) https://doi.org/10.1016/0022-2364(89)90004-8
  11. L. E. Kay, D. Marion, A. Bax, J. Mag. Reson. 84, 72, (1989) https://doi.org/10.1016/0022-2364(89)90006-1
  12. G. M. Clore, A. M. Gronenborn, Progress in NMR Spectroscopy 23, 43, (1991) https://doi.org/10.1016/0079-6565(91)80002-J
  13. R. E. Hoffman, G. C. Levy, Progress in NMR spectroscopy 23, 211, (1991) https://doi.org/10.1016/0079-6565(91)80005-M
  14. Y. L. Shen, H. K. Kang, T. H. Kim, T. Sundaram, H. J. Kim, G. W. Jeong, J. Kor. Magn. Reson. Soc. 13, 64, (2009) https://doi.org/10.6564/JKMRS.2009.13.2.064
  15. A. R. Mazzeo, M. A. Delsuc, A. Kumar, G. C. Levy, J. Mag. Reson. 81, 512, (1989) https://doi.org/10.1016/0022-2364(89)90087-5
  16. G. W. Halsey, W. E. Blass, Deconvolution with Applications in Spectroscopy, P. A. Jansson, Ed., Academic Press, New York/Orlando(1984)
  17. M. A. Delsuc, F. Ni and G. C. Levy, J. Magn. Reson. 73, 548, (1987) https://doi.org/10.1016/0022-2364(87)90022-9
  18. D. S. Stephenson, Progress in NMR spectroscopy 20, 515, (1988) https://doi.org/10.1016/0079-6565(88)80012-8
  19. J. N. Kapus, Maximum Entropy Models in Science and Engineering, Wiley Eastern Limited, New Delhi, India(1989)
  20. F. Ni, H. A. Scheraga, J. Magn. Reson. 82, 413, (1989) https://doi.org/10.1016/0022-2364(89)90048-6
  21. R. E. Hoffman, A. Kumar, K. D. Bishop, P. N. Borer and G. C. Levy, J. Magn. Reson. 83, 586,(1989) https://doi.org/10.1016/0022-2364(89)90351-X
  22. G. W. Jeong, H. K. Kang, Concepts Magn. Reson. 14, 402, (2002) https://doi.org/10.1002/cmr.10044
  23. G. C. Levy, S. Wang, G. W. Jeong, P. N. Borer, "Software Approaches for Determination of 3-dimensional Molecular Structures from Multidimensional NMR," in Computational Aspects of the Study of Biological Macromolecules by Nuclear Magnetic Resonance Spectroscopy, Edited by J. C. Hoch, F. M. Poulsen, and C. Redfield, Plenum Press, New York(1991)