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Avoiding hard chromatographic segmentation: A moving window approach for the automated resolution of gas chromatography–mass spectrometry-based metabolomics signals by multivariate methods

Autor
Domingo, X.; Perera, A.; Brezmes, J.
Tipus d'activitat
Article en revista
Revista
Journal of chromatography A
Data de publicació
2016-11-25
Volum
1474
Pàgina inicial
145
Pàgina final
151
DOI
https://doi.org/10.1016/j.chroma.2016.10.066 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/99562 Obrir en finestra nova
URL
http://www.sciencedirect.com/science/article/pii/S0021967316314315 Obrir en finestra nova
Resum
Gas chromatography–mass spectrometry (GC–MS) produces large and complex datasets characterized by co-eluted compounds and at trace levels, and with a distinct compound ion-redundancy as a result of the high fragmentation by the electron impact ionization. Compounds in GC–MS can be resolved by taking advantage of the multivariate nature of GC–MS data by applying multivariate resolution methods. However, multivariate methods have to be applied in small regions of the chromatogram, and ther...
Citació
Domingo, X., Perera, A., Brezmes, J. Avoiding hard chromatographic segmentation: A moving window approach for the automated resolution of gas chromatography–mass spectrometry-based metabolomics signals by multivariate methods. "Journal of chromatography A", 25 Novembre 2016, vol. 1474, p. 145-151.
Paraules clau
gas chromatography, independent component analysis, metabolomics, moving window, multivariate curve resolution, orthogonal signal deconvolution
Grup de recerca
B2SLab - Bioinformatics and Biomedical Signals Laboratory
CREB - Centre de Recerca en Enginyeria Biomedica

Participants