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Compound identification in gas chromatography/mass spectrometry-based metabolomics by blind source separation

Autor
Domingo, X.; Perera, A.; Ramirez, N.; Canellas, N.; Correig, X.; Brezmes, J.
Tipus d'activitat
Article en revista
Revista
Journal of chromatography A
Data de publicació
2015-08-28
Volum
1409
Pàgina inicial
226
Pàgina final
233
DOI
https://doi.org/10.1016/j.chroma.2015.07.044 Obrir en finestra nova
Projecte finançador
Impacto del entrenamiento en deportistas de élite en la función cardíaca, regulación neural y regulación
Serious Games on Heart Failure patients. Estimation of their benefits on the Spanish Health System
Repositori
http://hdl.handle.net/2117/84888 Obrir en finestra nova
Resum
Metabolomics GC-MS samples involve high complexity data that must be effectively resolved to produce chemically meaningful results. Multivariate curve resolution-alternating least squares (MCR-ALS) is the most frequently reported technique for that purpose. More recently, independent component analysis (ICA) has been reported as an alternative to MCR. Those algorithms attempt to infer a model describing the observed data and, therefore, the least squares regression used in MCR assumes that the d...
Citació
Domingo, X., Perera, A., Ramirez, N., Canellas, N., Correig, X., Brezmes, J. Compound identification in gas chromatography/mass spectrometry-based metabolomics by blind source separation. "Journal of chromatography A", 28 Agost 2015, vol. 1409, p. 226-233.
Paraules clau
ALGORITHMS, ANALYTICAL-CHEMISTRY, Compound deconvolution, DECONVOLUTION, INDEPENDENT COMPONENT ANALYSIS, Independent component analysis, Mass spectrometry, Metabolomics, Multivariate curve resolution, Orthogonal signal deconvolution, PROFILES, RESOLUTION, SIGNALS, SPECTRA, SPECTROSCOPY
Grup de recerca
B2SLab - Bioinformatics and Biomedical Signals Laboratory
CREB - Centre de Recerca en Enginyeria Biomedica

Participants

  • Domingo Almenara, Xavier  (autor)
  • Perera Lluna, Alexandre  (autor)
  • Ramirez, Noelia  (autor)
  • Canellas, Nicolau  (autor)
  • Correig, Xavier  (autor)
  • Brezmes, Jesus  (autor)