Decomposition of mixtures' spectra by multivariate curve resolution of rapidly acquired TOCSY experiments
2010 John Wiley & Sons, Ltd.
| Veröffentlicht in: | Magnetic resonance in chemistry : MRC. - 1985. - 48(2010), 10 vom: 15. Okt., Seite 771-6 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2010
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| Zugriff auf das übergeordnete Werk: | Magnetic resonance in chemistry : MRC |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Amino Acids |
| Zusammenfassung: | 2010 John Wiley & Sons, Ltd. 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 |
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| Beschreibung: | Date Completed 11.01.2011 Date Revised 22.09.2010 published: Print Citation Status MEDLINE |
| ISSN: | 1097-458X |
| DOI: | 10.1002/mrc.2654 |