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Robust Deconvolution of Complex Mixtures by Covariance TOCSY Spectroscopy
Author(s) -
Zhang Fengli,
Brüschweiler Rafael
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200604599
Subject(s) - deconvolution , covariance , content (measure theory) , spectroscopy , covariance matrix , spectral line , nuclear magnetic resonance spectroscopy , chemistry , computer science , algorithm , analytical chemistry (journal) , mathematics , statistics , physics , chromatography , stereochemistry , mathematical analysis , quantum mechanics , astronomy
Reliable analysis of complex mixtures has been achieved with a new analytical method, dubbed DemixC, for the deconvolution of the NMR spectrum of a mixture into individual components (see scheme). The method, which is based on covariance total correlation spectroscopy (TOCSY) spectra, identifies traces with minimal spectral overlap with other spin systems that can be scanned against an NMR database.