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Reconstruction of full high‐resolution HSQC using signal split in aliased spectra
Author(s) -
Foroozandeh Mohammadali,
Jeannerat Damien
Publication year - 2015
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4283
Subject(s) - aliasing , heteronuclear single quantum coherence spectroscopy , spectral line , resolution (logic) , chemistry , spectral resolution , nuclear magnetic resonance , heteronuclear molecule , two dimensional nuclear magnetic resonance spectroscopy , physics , nuclear magnetic resonance spectroscopy , computer science , artificial intelligence , undersampling , astronomy
Resolution enhancement is a long‐sought goal in NMR spectroscopy. In conventional multidimensional NMR experiments, such as the 1 H‐ 13 C HSQC, the resolution in the indirect dimensions is typically 100 times lower as in 1D spectra because it is limited by the experimental time. Reducing the spectral window can significantly increase the resolution but at the cost of ambiguities in frequencies as a result of spectral aliasing. Fortunately, this information is not completely lost and can be retrieved using methods in which chemical shifts are encoded in the aliased spectra and decoded after processing to reconstruct high‐resolution 1 H‐ 13 C HSQC spectrum with full spectral width and a resolution similar to that of 1D spectra. We applied a new reconstruction method, RHUMBA (reconstruction of high‐resolution using multiplet built on aliased spectra), to spectra obtained from the differential evolution for non‐ambiguous aliasing‐HSQC and the new AMNA (additional modulation for non‐ambiguous aliasing)‐HSQC experiments. The reconstructed spectra significantly facilitate both manual and automated spectral analyses and structure elucidation based on heteronuclear 2D experiments. The resolution is enhanced by two orders of magnitudes without the usual complications due to spectral aliasing. Copyright © 2015 John Wiley & Sons, Ltd.