Ralf Haiges - Increasing Sensitivity in Determining Chemical Shifts in One Dimensional Lorentzian NMR Spectra.

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  Publication Details (including relevant citation   information): Taylor, H. S., Haiges, Ralf, Kershaw,   Allan., J. Phys. Chem. A, 2013,   117 (16), pp 3319-3331

  Abstract: An algorithm is presented for   1-dimensional NMR systems that employs nonlinear, non-Fourier   methods to convert noisy time-dependent free induction decay   (FID) data to a denoised frequency spectrum that gives reliable   chem. shifts and coupling consts. when the spectrum is   Lorentzian. It is formulated in a way that increases frequency   sensitivity and resoln. and, for nuclei of low natural abundance,   potentially avoids enrichment totally or in part. The algorithm   should also be of use in anal. chem. where enrichment is not   possible. In effect, the useful limit of detection is   significantly lowered. The algorithm uses new phasing and feature   stability upon accumulation methods to reliably sep. signal from   noise at low signal-to-noise ratios where the Fourier spectrum   requires many more transients to be definitive as to what is   signal and what is noise. The long-standing problem of false   features that plagued many prior attempts to employ nonlinear   methods is thereby resolved for Lorentzian spectra. Examples are   reported, and the limitations of the algorithm are discussed. [on   SciFinder(R)]

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