Logo image
Decomposition of mixtures' spectra by multivariate curve resolution of rapidly acquired TOCSY experiments
Journal article   Peer reviewed

Decomposition of mixtures' spectra by multivariate curve resolution of rapidly acquired TOCSY experiments

Eddy Rocio Rey Castellanos and Julien Wist
Magnetic resonance in chemistry, Vol.48(10), pp.771-776
2010
PMID: 20661917

Abstract

NMR 1H amino acids covariance spectroscopy multicurve resolution non-negative matrix factorization
A method is presented that allows for retrieving 1D spectra of the individual components of a mixture from a sparsely acquired 2D-TOCSY spectrum. The decomposition of the 2D-TOCSY data into pure 1D traces is achieved using a non-negative matrix factorization algorithm, also known as multivariate curve resolution analysis. Here, we show that the algorithm can be applied to data processed in the direct dimension only. Thus, our method can be applied to non-linearly sampled experiments or data acquired with few indirect points. An example is shown for the spectra of a mixture of six amino acids, acquired in 15 min.

Details

UN Sustainable Development Goals (SDGs)

This output has contributed to the advancement of the following goals:

#3 Good Health and Well-Being

Source: InCites

Metrics

InCites Highlights

These are selected metrics from InCites Benchmarking & Analytics tool, related to this output

Collaboration types
Domestic collaboration
Citation topics
2 Chemistry
2.123 Protein Stucture, Folding & Modelling
2.123.248 Solid-State NMR
Web Of Science research areas
Chemistry, Multidisciplinary
Chemistry, Physical
Spectroscopy
ESI research areas
Chemistry
Logo image