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We propose a family of doubly compensated multiplicity-edited heteronuclear single quantum coherence (HSQC) pulse sequences. The key difference between our proposed sequences and the compensation of refocusing inefficiency with synchronized inversion sweeps (CRISIS)-HSQC experiments they are based on is that the conventional rectangular 180 degrees pulses on the proton channel in the latter have been replaced by the computer-optimized broadband inversion pulses (BIPs) with superior inversion performance as well as much improved tolerance to B(1) field inhomogeneity. Moreover, all adiabatic carbon 180 degrees pulses during the INEPT and reverse-INEPT periods in the CRISIS-HSQC sequences have also been replaced with the much shorter BIPs, while the adiabatic sweeps during the heteronuclear spin echo for multiplicity editing are kept in place in order to maintain the advantage of the CRISIS feature of the original sequences, namely J-independent refocusing of the one-bond (1)H--(13)C coupling constants. These modifications have also been implemented to the preservation of equivalent pathways (PEP)-HSQC experiments. We demonstrate through a detailed comparison that replacing the proton 180 degrees pulses with the BIPs provide additional sensitivity gain that can be mainly attributed to the improved tolerance to B(1) field inhomogeneity of the BIPs. The proposed sequences can be easily adapted for (19)F--(13)C correlations.

Two-dimensional (2D) data are typically truncated in both dimensions, but invariably and severely so in the indirect dimension. These truncated FIDs and/or interferograms are extensively zero filled, and Fourier transformation of such zero-filled data is always preceded by a rapidly decaying apodization function. Hence, the frequency line width in the spectrum (at least parallel to the evolution dimension) is almost always dominated by the apodization function. Such apodization-driven line broadening in the indirect (t ) dimension leads to the lack of clear resolution of cross peaks in the 2D spectrum. Time-domain analysis (i.e. extraction of frequency, amplitudes, line width, and phase parameters directly from the FID, in this case via Bayesian modeling into a tabular format) of NMR data is another approach for spectral resonance characterization and quantification. The recently published complete reduction to amplitude frequency table (CRAFT) technique converts the raw FID data (i.e. time-domain data) into a table of frequencies, amplitudes, decay rate constants, and phases. CRAFT analyses of time-domain data require minimal or no apodization prior to extraction of the four parameters. We used the CRAFT processing approach for the decimation of the interferograms and compared the results from a variety of 2D spectra against conventional processing with and without linear prediction. The results show that use of the CRAFT technique to decimate the t interferograms yields much narrower spectral line width of the resonances, circumventing the loss of resolution due to apodization. Copyright © 2016 John Wiley & Sons, Ltd.

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