Premium
High resolution in the indirectly detected dimension exploiting the processing of folded spectra
Author(s) -
Jeannerat Damien
Publication year - 2000
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 - 10.1002/1097-458x(200006)38:6<415::aid-mrc665>3.0.co;2-u
Subject(s) - chemistry , spectral line , spectral resolution , resolution (logic) , laser linewidth , dimension (graph theory) , heteronuclear single quantum coherence spectroscopy , limiting , proton , nuclear magnetic resonance , two dimensional nuclear magnetic resonance spectroscopy , optics , physics , stereochemistry , computer science , quantum mechanics , artificial intelligence , mathematics , mechanical engineering , laser , engineering , pure mathematics
Abstract Multi‐dimensional experiments using proton detection such as HSQC are often used to study organic and bioorganic molecules. Whereas the resolution in the directly detected dimension is normally high, the resolution in the indirectly detected dimension is often much lower, limiting the unambiguous assignment to carbon or nitrogen atoms. The principle exploited here consists in taking advantage of the fact that spectral resolution increases when spectral widths are reduced. The price to pay for such resolution enhancement is that signals fold into the smaller window, making their chemical shift ambiguous. The software presented here efficiently assists spectroscopists to choose the correct chemical shift out of a large number of possibilities. It checks for their compatibility with signals in reference spectra. When the indirectly detected dimension is not too crowded, such processing is straightforward and unambiguous. It thereby permits one to attain the natural linewidth in the indirectly detected dimension. In the case of HSQC spectra it reaches the resolution available in proton decoupled one‐dimensional spectra. A program for processing folded two‐dimensional spectra is available. It was applied to the 1 H– 13 C HSQC of cholesterol. Copyright © 2000 John Wiley & Sons, Ltd.