Navarro Reig M, Jaumot J, Tauler R. An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis. J Chromatogr A. 2018;1568:80-90 pubmed publisher
..The obtained results revealed that the proposed methodology was useful to gather relevant information from untargeted lipidomic studies and detect potential biomarkers. ..
Jaumot J, Tauler R. Potential use of multivariate curve resolution for the analysis of mass spectrometry images. Analyst. 2015;140:837-46 pubmed publisher
..The results show that multivariate curve resolution allows us to obtain distribution maps of different components and their identification from resolved high-resolution mass spectra. ..
Bedia C, Dalmau N, Jaumot J, Tauler R. Phenotypic malignant changes and untargeted lipidomic analysis of long-term exposed prostate cancer cells to endocrine disruptors. Environ Res. 2015;140:18-31 pubmed publisher
Checa A, Bedia C, Jaumot J. Lipidomic data analysis: tutorial, practical guidelines and applications. Anal Chim Acta. 2015;885:1-16 pubmed publisher
..In addition to the theoretical description of the methods, application of various methods to a particular lipidomic data set as well as literature examples are presented. ..
Navarro Reig M, Jaumot J, GarcÃa Reiriz A, Tauler R. Evaluation of changes induced in rice metabolome by Cd and Cu exposure using LC-MS with XCMS and MCR-ALS data analysis strategies. Anal Bioanal Chem. 2015;407:8835-47 pubmed publisher
..Finally, advantages and disadvantages of using these two methods are discussed. Graphical Abstract Summary of the workflow for untargeted metabolomics using the compared approaches. ..
Ortiz Villanueva E, Benavente F, Pina B, Sanz Nebot V, Tauler R, Jaumot J. Knowledge integration strategies for untargeted metabolomics based on MCR-ALS analysis of CE-MS and LC-MS data. Anal Chim Acta. 2017;978:10-23 pubmed publisher
..Furthermore, enhanced metabolite identification and differential carbon source response detection were achieved when considering a combination of LC-MS and CE-MS based platforms. ..
Navarro Reig M, Ortiz Villanueva E, Tauler R, Jaumot J. Modelling of Hydrophilic Interaction Liquid Chromatography Stationary Phases Using Chemometric Approaches. Metabolites. 2017;7: pubmed publisher
Jaumot J, Navarro A, Faria M, Barata C, Tauler R, PiÃ±a B. qRT-PCR evaluation of the transcriptional response of zebra mussel to heavy metals. BMC Genomics. 2015;16:354 pubmed publisher