The multidimensional filter diagonalization method.
The theory of the multidimensional filter diagonalization method (FDM) described in the previous paper (V. A. Mandelshtam, 2000, J. Magn. Reson. 144, 343-356 (2000)) is applied to NMR time signals with up to four independent time variables. Direct projections of the multidimensional time signals produce new kinds of 2D spectra. The resolution obtained by FDM can be far superior to that obtained by conventional phase-sensitive FT processing, and correlation peaks in heteronuclear and homonuclear experiments can be condensed to sharp singlets, removing all spin-spin couplings. Examples of singlet-HSQC and singlet-TOCSY spectra show big gains in resolution. It is not necessary to have a finely digitized spectrum, in which the individual multiplet components are resolved, for the methods to work. Examples of FDM spectra, ranging from simple organic molecules and steroids to metalloproteins, are shown.
Hu
H
H
Chemistry Department, University of California, Irvine, California, 92697-2025, USA.
De Angelis
A A
AA
Mandelshtam
V A
VA
Shaka
A J
AJ
D016477:Artifacts; D001555:Benzene Derivatives / Q000737:chemistry*; D002247:Carbon Isotopes / Q000032:analysis; D007091:Image Processing, Computer-Assisted / Q000379:methods*; D009682:Magnetic Resonance Spectroscopy; D008962:Models, Theoretical; D015394:Molecular Structure; D011374:Progesterone / Q000737:chemistry*; D012416:Rubredoxins / Q000737:chemistry*
D001555:Benzene Derivatives; D002247:Carbon Isotopes; D012416:Rubredoxins; D011374:Progesterone; C004912:ethylbenzene