Premium
Understanding J‐Modulation during Spatial Encoding for Sensitivity‐Optimized Ultrafast NMR Spectroscopy
Author(s) -
Gouilleux Boris,
Rouger Laetitia,
Charrier Benoît,
Kuprov Ilya,
Akoka Serge,
Dumez JeanNicolas,
Giraudeau Patrick
Publication year - 2015
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201500514
Subject(s) - sensitivity (control systems) , ultrashort pulse , spectroscopy , modulation (music) , chemistry , spectral resolution , nuclear magnetic resonance spectroscopy , resolution (logic) , spectral line , analytical chemistry (journal) , biological system , computational physics , optics , physics , computer science , electronic engineering , laser , organic chemistry , chromatography , quantum mechanics , astronomy , acoustics , engineering , biology , artificial intelligence
Ultrafast (UF) NMR spectroscopy is an approach that yields 2D spectra in a single scan. This methodology has become a powerful analytical tool that is used in a large array of applications. However, UF NMR spectroscopy still suffers from an intrinsic low sensitivity, and from the need to compromise between sensitivity, spectral width, and resolution. In particular, the modulation of signal intensities by the spin–spin J ‐coupling interaction (J‐modulation) impacts significantly on the intensities of the spectral peaks. This effect can lead to large sensitivity losses and even to missing spectral peaks, depending on the nature of the spin system. Herein, a general simulation package (Spinach) is used to describe J‐modulation effects in UF experiments. The results from simulations match with experimental data and the results of product operator calculations. Several methods are proposed to optimize the sensitivity in UF COSY spectra. The potential and drawbacks of the different strategies are also discussed. These approaches provide a way to adjust the sensitivity of UF experiments for a large range of applications.