Selected publications from the last years:

2019

Olmos, V., Marro, M., Loza-Alvarez, P., Raldúa, D., Prats, E., Piña, B., Tauler, R., de Juan, A. Assessment of tissue-specific multifactor effects in environmental –omics studies of heterogeneous biological samples: Combining hyperspectral image information and chemometrics (2019) Talanta, 194, pp. 390-398.

Navarro-Reig, M., Tauler, R., Iriondo-Frias, G., Jaumot, J. Untargeted lipidomic evaluation of hydric and heat stresses on rice growth (2019) Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences, 1104, pp. 148-156.

2018

BOOK: 

Data Analysis for Omic Sciences: Methods and Applications. Edited by Joaquim Jaumot, Carmen Bedia, Romà Tauler. Volume 82, Pages 2-706 (2018)

Jaumot, J., Bedia, C., Tauler, R. Preface (2018) Comprehensive Analytical Chemistry, 82, pp. xxi-xxiii.

Bedia, C., Tauler, R., Jaumot, J. Introduction to the Data Analysis Relevance in the Omic Era (2018) Comprehensive Analytical Chemistry, 82, pp. 1-12.

Bedia, C. Experimental Approaches in Omic Sciences (2018) Comprehensive Analytical Chemistry, 82, pp. 13-36.

Gorrochategui, E., Jaumot, J., Tauler, R. Compression and Resolution Tools for the Analysis of Untargeted Metabolomic Data (2018) Comprehensive Analytical Chemistry, 82, pp. 337-368.

Bedia, C., Cardoso, P., Dalmau, N., Garreta-Lara, E., Gómez-Canela, C., Gorrochategui, E., Navarro-Reig, M., Ortiz-Villanueva, E., Puig- Castellví, F., Tauler, R. Applications of Metabolomics Analysis in Environmental Research (2018) Comprehensive Analytical Chemistry, 82, pp. 533-582.

ARTICLES:

Navarro-Reig, M., Jaumot, J., Tauler, R. An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis (2018) Journal of Chromatography A, 1568, pp. 80-90.

Garreta-Lara, E., Checa, A., Fuchs, D., Tauler, R., Lacorte, S., Wheelock, C.E., Barata, C. Effect of psychiatric drugs on Daphnia magna oxylipin profiles (2018) Science of the Total Environment, 644, pp. 1101-1109.

Azimi, A., Bakhtiari, A.R., Tauler, R. Chemometrics analysis of petroleum hydrocarbons sources in the street dust, runoff and sediment of urban rivers in Anzali port – South of Caspian Sea (2018) Environmental Pollution, 243, pp. 374-382.

Martínez, R., Esteve-Codina, A., Herrero-Nogareda, L., Ortiz-Villanueva, E., Barata, C., Tauler, R., Raldúa, D., Piña, B., Navarro-Martín, L. Dose-dependent transcriptomic responses of zebrafish eleutheroembryos to Bisphenol A (2018) Environmental Pollution, 243, pp. 988-997.

Faria, M., Ziv, T., Gómez-Canela, C., Ben-Lulu, S., Prats, E., Novoa-Luna, K.A., Admon, A., Piña, B., Tauler, R., Gómez-Oliván, L.M., Raldúa, D. Acrylamide acute neurotoxicity in adult zebrafish (2018) Scientific Reports, 8 (1), art. no. 7918.

Benavente, F., Pero-Gascon, R., Pont, L., Jaumot, J., Barbosa, J., Sanz-Nebot, V. Identification of antihypertensive peptides in nutraceuticals by capillary electrophoresis-mass spectrometry (2018) Journal of Chromatography A, 1579, pp. 129-137.

Gómez-Canela, C., Prats, E., Lacorte, S., Raldúa, D., Piña, B., Tauler, R. Metabolomic changes induced by nicotine in adult zebrafish skeletal muscle (2018) Ecotoxicology and Environmental Safety, 164, pp. 388-397.

Puig-Castellví, F., Pérez, Y., Piña, B., Tauler, R., Alfonso, I. Comparative analysis of 1H NMR and 1H-13C HSQC NMR metabolomics to understand the effects of medium composition in yeast growth (2018) Analytical Chemistry, 90 (21), pp. 12422-12430.

Dalmau, N., Andrieu-Abadie, N., Tauler, R., Bedia, C. Phenotypic and lipidomic characterization of primary human epidermal keratinocytes exposed to simulated solar UV radiation (2018) Journal of Dermatological Science, 92 (1), pp. 97-105.

Brereton, R.G., Jansen, J., Lopes, J., Marini, F., Pomerantsev, A., Rodionova, O., Roger, J.M., Walczak, B., Tauler, R. Chemometrics in analytical chemistry—part II: modeling, validation, and applications (2018) Analytical and Bioanalytical Chemistry, 410 (26), pp. 6691-6704.

Dalmau, N., Bedia, C., Tauler, R. Validation of the Regions of Interest Multivariate Curve Resolution (ROIMCR) procedure for untargeted LC-MS lipidomic analysis (2018) Analytica Chimica Acta, 1025, pp. 80-91.

Navarro-Reig, M., Bedia, C., Tauler, R., Jaumot, J. Chemometric Strategies for Peak Detection and Profiling from Multidimensional Chromatography (2018) Proteomics, 18 (18), art. no. 1700327.

Ortiz-Villanueva, E., Jaumot, J., Martínez, R., Navarro-Martín, L., Piña, B., Tauler, R. Assessment of endocrine disruptors effects on zebrafish (Danio rerio) embryos by untargeted LC-HRMS metabolomic analysis (2018) Science of the Total Environment, 635, pp. 156-166.

Pellegrino Vidal, R.B., Olivieri, A.C., Tauler, R. Quantifying the Prediction Error in Analytical Multivariate Curve Resolution Studies of Multicomponent Systems (2018) Analytical Chemistry, 90 (11), pp. 7040-7047.

Piqueras, S., Bedia, C., Beleites, C., Krafft, C., Popp, J., Maeder, M., Tauler, R., De Juan, A. Handling Different Spatial Resolutions in Image Fusion by Multivariate Curve Resolution-Alternating Least Squares for Incomplete Image Multisets (2018) Analytical Chemistry, 90 (11), pp. 6757-6765.

Puig-Castellví, F., Bedia, C., Alfonso, I., Piña, B., Tauler, R. Deciphering the Underlying Metabolomic and Lipidomic Patterns Linked to Thermal Acclimation in Saccharomyces cerevisiae (2018) Journal of Proteome Research, 17 (6), pp. 2034-2044.

Parastar, H., Garreta-Lara, E., Campos, B., Barata, C., Lacorte, S., Tauler, R. Chemometrics comparison of gas chromatography with mass spectrometry and comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry Daphnia magna metabolic profiles exposed to salinity (2018) Journal of Separation Science, 41 (11), pp. 2368-2379.

Campos, B., Fletcher, D., Piña, B., Tauler, R., Barata, C. Differential gene transcription across the life cycle in Daphnia magna using a new all genome custom-made microarray (2018) BMC Genomics, 19 (1), art. no. 370.

Dalmau, N., Andrieu-Abadie, N., Tauler, R., Bedia, C. Untargeted lipidomic analysis of primary human epidermal melanocytes acutely and chronically exposed to UV radiation (2018) Molecular Omics, 14 (3), pp. 170-180.

Puig-Castellví, F., Pérez, Y., Piña, B., Tauler, R., Alfonso, I. Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples (2018) Chemical Communications, 54 (25), pp. 3090-3093.

Fernandes, C., Figueira, E., Tauler, R., Bedia, C. Exposure to chlorpyrifos induces morphometric, biochemical and lipidomic alterations in green beans (Phaseolus vulgaris) (2018) Ecotoxicology and Environmental Safety, 156, pp. 25-33.

Pont, L., Sanz-Nebot, V., Vilaseca, M., Jaumot, J., Tauler, R., Benavente, F. A chemometric approach for characterization of serum transthyretin in familial amyloidotic polyneuropathy type I (FAP-I) by electrospray ionization-ion mobility mass spectrometry (2018) Talanta, 181, pp. 87-94.

Marín-García, M., Ioele, G., Franquet-Griell, H., Lacorte, S., Ragno, G., Tauler, R. Investigation of the photodegradation profile of tamoxifen using spectroscopic and chromatographic analysis and multivariate curve resolution (2018) Chemometrics and Intelligent Laboratory Systems, 174, pp. 128-141.

Olmos, V., Bedia, C., Tauler, R., de Juan, A. Preprocessing Tools Applied to Improve the Assessment of Aldrin Effects on Prostate Cancer Cells Using Raman Spectroscopy (2018) Applied Spectroscopy, 72 (3), pp. 489-500.

Olmos, V., Marro, M., Loza-Alvarez, P., Raldúa, D., Prats, E., Padrós, F., Piña, B., Tauler, R., de Juan, A. Combining hyperspectral imaging and chemometrics to assess and interpret the effects of environmental stressors on zebrafish eye images at tissue level (2018) Journal of Biophotonics, 11 (3), art. no. e201700089.

Gómez-Canela, C., Tornero-Cañadas, D., Prats, E., Piña, B., Tauler, R., Raldúa, D. Comprehensive characterization of neurochemicals in three zebrafish chemical models of human acute organophosphorus poisoning using liquid chromatography-tandem mass spectrometry (2018) Analytical and Bioanalytical Chemistry, 410 (6), pp. 1735-1748.

Hugelier, S., Piqueras, S., Bedia, C., de Juan, A., Ruckebusch, C. Application of a sparseness constraint in multivariate curve resolution – Alternating least squares (2018) Analytica Chimica Acta, 1000, pp. 100-108.

Dadashi, M., Ghaffari, S., Bakhtiari, A.R., Tauler, R. Multivariate curve resolution of organic pollution patterns in mangrove forest sediment from Qeshm Island and Khamir Port—Persian Gulf, Iran (2018) Environmental Science and Pollution Research, 25 (1), pp. 723-735.

Garreta-Lara, E., Campos, B., Barata, C., Lacorte, S., Tauler, R. Combined effects of salinity, temperature and hypoxia on Daphnia magna metabolism (2018) Science of the Total Environment, 610-611, pp. 602-612.

2017

Navarro-Reig, M., Ortiz-Villanueva, E., Tauler, R., Jaumot, J. Modelling of hydrophilic interaction liquid chromatography stationary phases using chemometric approaches (2017) Metabolites, 7 (4), art. no. 54.

Zhang, X., Nuns, N., Lamonier, J.-F., Tauler, R., Duponchel, L. Detection of formaldehyde oxidation catalysis by MCR-ALS analysis of multiset ToF-SIMS data in positive and negative modes (2017) Chemometrics and Intelligent Laboratory Systems, 171, pp. 80-85.

Prats, E., Gómez-Canela, C., Ben-Lulu, S., Ziv, T., Padrós, F., Tornero, D., Garcia-Reyero, N., Tauler, R., Admon, A., Raldúa, D. Modelling acrylamide acute neurotoxicity in zebrafish larvae (2017) Scientific Reports, 7 (1), art. no. 13952.

Brereton, R.G., Jansen, J., Lopes, J., Marini, F., Pomerantsev, A., Rodionova, O., Roger, J.M., Walczak, B., Tauler, R. Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools (2017) Analytical and Bioanalytical Chemistry, 409 (25), pp. 5891-5899.

Hopke, P.K., Tauler, R. Editorial (2017) Chemometrics and Intelligent Laboratory Systems, 168, p. A1.

de Mas, I.M., Marín, S., Pachón, G., Rodríguez-Prados, J.C., Vizán, P., Centelles, J.J., Tauler, R., Azqueta, A., Selivanov, V., Ceraín, A.L., Cascante, M. Unveiling the metabolic changes on muscle cell metabolism underlying p-phenylenediamine toxicity (2017) Frontiers in Molecular Biosciences, 4 (MAR), art. no. 8.

Bedia, C., Tauler, R., Jaumot, J. Analysis of multiple mass spectrometry images from different Phaseolus vulgaris samples by multivariate curve resolution (2017) Talanta, 175, pp. 557-565.

Hurtado, C., Parastar, H., Matamoros, V., Piña, B., Tauler, R., Bayona, J.M. Linking the morphological and metabolomic response of Lactuca sativa L exposed to emerging contaminants using GC × GC-MS and chemometric tools (2017) Scientific Reports, 7 (1), art. no. 6546.

Gómez-Canela, C., Prats, E., Tauler, R., Raldúa, D. Analysis of neurobehavioural data by chemometric methods in ecotoxicological studies (2017) Ecotoxicology and Environmental Safety, 145, pp. 583-590.

Olmos, V., Benítez, L., Marro, M., Loza-Alvarez, P., Piña, B., Tauler, R., de Juan, A. Relevant aspects of unmixing/resolution analysis for the interpretation of biological vibrational hyperspectral images (2017) TrAC – Trends in Analytical Chemistry, 94, pp. 130-140.

Izadmanesh, Y., Ghasemi, J.B., Tauler, R. Receptor modeling of environmental aerosol data using MLPCA-MCR-ALS (2017) Chemometrics and Intelligent Laboratory Systems, 167, pp. 50-62.

Valdivielso, A.M., Puig-Castellví, F., Atcher, J., Solà, J., Tauler, R., Alfonso, I. Unraveling the Multistimuli Responses of a Complex Dynamic System of Pseudopeptidic Macrocycles (2017) Chemistry – A European Journal, 23 (45), pp. 10789-10799.

Ortiz-Villanueva, E., Benavente, F., Piña, 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 (2017) Analytica Chimica Acta, 978, pp. 10-23.

Navarro-Reig, M., Jaumot, J., Baglai, A., Vivó-Truyols, G., Schoenmakers, P.J., Tauler, R. Untargeted Comprehensive Two-Dimensional Liquid Chromatography Coupled with High-Resolution Mass Spectrometry Analysis of Rice Metabolome Using Multivariate Curve Resolution (2017) Analytical Chemistry, 89 (14), pp. 7675-7683.

Navarro-Reig, M., Jaumot, J., Piña, B., Moyano, E., Galceran, M.T., Tauler, R. Metabolomic analysis of the effects of cadmium and copper treatment in: Oryza sativa L. using untargeted liquid chromatography coupled to high resolution mass spectrometry and all-ion fragmentation (2017) Metallomics, 9 (6), pp. 660-675.

Ortiz-Villanueva, E., Navarro-Martín, L., Jaumot, J., Benavente, F., Sanz-Nebot, V., Piña, B., Tauler, R. Metabolic disruption of zebrafish (Danio rerio) embryos by bisphenol A. An integrated metabolomic and transcriptomic approach (2017) Environmental Pollution, 231, pp. 22-36.

Piqueras Solsona, S., Maeder, M., Tauler, R., de Juan, A. A new matching image preprocessing for image data fusion (2017) Chemometrics and Intelligent Laboratory Systems, 164, pp. 32-42.

Puig-Castellví, F., Alfonso, I., Tauler, R. Untargeted assignment and automatic integration of 1H NMR metabolomic datasets using a multivariate curve resolution approach (2017) Analytica Chimica Acta, 964, pp. 55-66.

Gómez-Canela, C., Bolivar-Subirats, G., Tauler, R., Lacorte, S. Powerful combination of analytical and chemometric methods for the photodegradation of 5-Fluorouracil (2017) Journal of Pharmaceutical and Biomedical Analysis, 137, pp. 33-41.

Lyonnais, S., Tarrés-Soler, A., Rubio-Cosials, A., Cuppari, A., Brito, R., Jaumot, J., Gargallo, R., Vilaseca, M., Silva, C., Granzhan, A., Teulade-Fichou, M.-P., Eritja, R., Solà, M. The human mitochondrial transcription factor A is a versatile G-quadruplex binding protein (2017) Scientific Reports, 7, art. no. 43992 .

Dadashi, M., Abdollahi, H., Tauler, R. Error propagation along the different regions of multivariate curve resolution feasible solutions (2017) Chemometrics and Intelligent Laboratory Systems, 162, pp. 203-213.

Izadmanesh, Y., Garreta-Lara, E., Ghasemi, J.B., Lacorte, S., Matamoros, V., Tauler, R. Chemometric analysis of comprehensive two dimensional gas chromatography–mass spectrometry metabolomics data (2017) Journal of Chromatography A, 1488, pp. 113-125.

Olivieri, A.C., Tauler, R. The effect of data matrix augmentation and constraints in extended multivariate curve resolution–alternating least squares (2017) Journal of Chemometrics, 31 (3), art. no. e2875, .

Ortiz-Villanueva, E., Navarro-Reig, M., Jaumot, J., Tauler, R. Chemometric evaluation of hydrophilic interaction liquid chromatography stationary phases: Resolving complex mixtures of metabolites (2017) Analytical Methods, 9 (5), pp. 774-785.

Ahmadvand, M., Parastar, H., Sereshti, H., Olivieri, A., Tauler, R. A systematic study on the effect of noise and shift on multivariate figures of merit of second-order calibration algorithms (2017) Analytica Chimica Acta, 952, pp. 18-31.

Herranz-Trillo, F., Groenning, M., van Maarschalkerweerd, A., Tauler, R., Vestergaard, B., Bernadó, P. Structural Analysis of Multi-component Amyloid Systems by Chemometric SAXS Data Decomposition (2017) Structure, 25 (1), pp. 5-15.

Gómez-Canela, C., Prats, E., Piña, B., Tauler, R. Assessment of chlorpyrifos toxic effects in zebrafish (Danio rerio) metabolism (2017) Environmental Pollution, 220, pp. 1231-1243.

Platikanov, S., Hernández, A., González, S., Luis Cortina, J., Tauler, R., Devesa, R. Predicting consumer preferences for mineral composition of bottled and tap water (2017) Talanta, 162, pp. 1-9.

Gorrochategui, E., Li, J., Fullwood, N.J., Ying, G.-G., Tian, M., Cui, L., Shen, H., Lacorte, S., Tauler, R., Martin, F.L. Diet-sourced carbon-based nanoparticles induce lipid alterations in tissues of zebrafish (Danio rerio) with genomic hypermethylation changes in brain (2017) Mutagenesis, 32 (1), pp. 91-103.

2016

Jordão, R., Campos, B., Piña, B., Tauler, R., Soares, A.M., Barata, C. Mechanisms of Action of Compounds That Enhance Storage Lipid Accumulation in Daphnia magna (2016) Environmental science and technology, 50 (24), pp. 13565-13573.

Malik, A., Jordao, R., Campos, B., Casas, J., Barata, C., Tauler, R. Exploring the disruptive effects of TBT on lipid homeostasis of Daphnia magna using chemometric methods (2016) Chemometrics and Intelligent Laboratory Systems, 159, pp. 58-68.

Navarro-Reig, M., Jaumot, J., van Beek, T.A., Vivó-Truyols, G., Tauler, R. Chemometric analysis of comprehensive LC×LC-MS data: Resolution of triacylglycerol structural isomers in corn oil (2016) Talanta, 160, pp. 624-635.

Bedia, C., Tauler, R., Jaumot, J. Compression strategies for the chemometric analysis of mass spectrometry imaging data (2016) Journal of Chemometrics, 30 (10), pp. 575-588.

Neves, A.C.D.O., Tauler, R., de Lima, K.M.G. Area correlation constraint for the MCR−ALS quantification of cholesterol using EEM fluorescence data: A new approach (2016) Analytica Chimica Acta, 937, pp. 21-28.

Gorrochategui, E., Jaumot, J., Lacorte, S., Tauler, R. Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow (2016) TrAC – Trends in Analytical Chemistry, 82, pp. 425-442.

Gómez-Canela, C., Miller, T.H., Bury, N.R., Tauler, R., Barron, L.P. Targeted metabolomics of Gammarus pulex following controlled exposures to selected pharmaceuticals in water (2016) Science of the Total Environment, 562, pp. 777-788.

Puig-Castellví, F., Alfonso, I., Pinã, B., Tauler, R. 1H NMR metabolomic study of auxotrophic starvation in yeast using Multivariate Curve Resolution-Alternating Least Squares for Pathway Analysis (2016) Scientific Reports, 6, art. no. 30982, .

Marques, A.S., Bedia, C., Lima, K.M.G., Tauler, R. Assessment of the effects of As(III) treatment on cyanobacteria lipidomic profiles by LC-MS and MCR-ALS (2016) Analytical and Bioanalytical Chemistry, 408 (21), pp. 5829-5841.

Farrés, M., Piña, B., Tauler, R. LC-MS based metabolomics and chemometrics study of the toxic effects of copper on Saccharomyces cerevisiae (2016) Metallomics, 8 (8), pp. 790-798.

Campos, B., Jordao, R., Rivetti, C., Lemos, M.F.L., Soares, A.M.V.M., Tauler, R., Barata, C. Two-generational effects of contaminants in Daphnia magna: Effects of offspring quality (2016) Environmental Toxicology and Chemistry, 35 (6), pp. 1470-1477.

Jordão, R., Campos, B., Lemos, M.F.L., Soares, A.M.V.M., Tauler, R., Barata, C. Induction of multixenobiotic defense mechanisms in resistant Daphnia magna clones as a general cellular response to stress (2016) Aquatic Toxicology, 175, pp. 132-143.

Gorrochategui, E., Lacorte, S., Tauler, R., Martin, F.L. Perfluoroalkylated Substance Effects in Xenopus laevis A6 Kidney Epithelial Cells Determined by ATR-FTIR Spectroscopy and Chemometric Analysis (2016) Chemical Research in Toxicology, 29 (5), pp. 924-932.

Garreta-Lara, E., Campos, B., Barata, C., Lacorte, S., Tauler, R. Metabolic profiling of Daphnia magna exposed to environmental stressors by GC–MS and chemometric tools (2016) Metabolomics, 12 (5), art. no. 86.

Hirri, A., Bassbasi, M., Platikanov, S., Tauler, R., Oussama, A. FTIR Spectroscopy and PLS-DA Classification and Prediction of Four Commercial Grade Virgin Olive Oils from Morocco (2016) Food Analytical Methods, 9 (4), pp. 974-981.

Golshan, A., Abdollahi, H., Beyramysoltan, S., Maeder, M., Neymeyr, K., Rajkó, R., Sawall, M., Tauler, R. A review of recent methods for the determination of ranges of feasible solutions resulting from soft modelling analyses of multivariate data (2016) Analytica Chimica Acta, 911, pp. 1-13.

Jordão, R., Garreta, E., Campos, B., Lemos, M.F.L., Soares, A.M.V.M., Tauler, R., Barata, C. Compounds altering fat storage in Daphnia magna (2016) Science of the Total Environment, 545-546, pp. 127-136.

Pont, L., Benavente, F., Jaumot, J., Tauler, R., Alberch, J., Ginés, S., Barbosa, J., Sanz-Nebot, V. Metabolic profiling for the identification of Huntington biomarkers by on-line solid-phase extraction capillary electrophoresis mass spectrometry combined with advanced data analysis tools (2016) Electrophoresis, 37 (5-6), pp. 795-808.

Pauli, E.D., Scarminio, I.S., Tauler, R. Analytical investigation of secondary metabolites extracted from Camellia sinensis L. leaves using a HPLC-DAD-ESI/MS data fusion strategy and chemometric methods (2016) Journal of Chemometrics, 30 (2), pp. 75-85.

de Juan, A., Tauler, R. Multivariate Curve Resolution-Alternating Least Squares for Spectroscopic Data (2016) Data Handling in Science and Technology, 30, pp. 5-51.

Malik, A., Tauler, R. Ambiguities in Multivariate Curve Resolution (2016) Data Handling in Science and Technology, 30, pp. 101-133.

Zhang, X., Juan, A.D., Tauler, R. Local rank-based spatial information for improvement of remote sensing hyperspectral imaging resolution (2016) Talanta, 146, pp. 1-9.

López-Roldán, R., Platikanov, S., Martín-Alonso, J., Tauler, R., González, S., Cortina, J.L. Integration of Ultraviolet-Visible spectral and physicochemical data in chemometrics analysis for improved discrimination of water sources and blends for application to the complex drinking water distribution network of Barcelona (2016) Journal of Cleaner Production, 112, pp. 4789-4798.

2015

Terrado, M., Tauler, R., Bennett, E.M. Landscape and local factors influence water purification in the Monteregian agroecosystem in Québec, Canada (2015) Regional Environmental Change, 15 (8), pp. 1743-1755.

Navarro-Reig, M., Jaumot, J., García-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 (2015) Analytical and Bioanalytical Chemistry, 407 (29), pp. 8835-8847.

Zhang, X., Tauler, R. Measuring and comparing the resolution performance and the extent of rotation ambiguities of some bilinear modeling methods (2015) Chemometrics and Intelligent Laboratory Systems, 147, pp. 47-57.

Zhang, X., de Juan, A., Tauler, R. Multivariate Curve Resolution Applied to Hyperspectral Imaging Analysis of Chocolate Samples (2015) Applied spectroscopy, 69 (8), pp. 993-1003.

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 (2015) Environmental Research, 140, pp. 18-31.

Malik, A., Tauler, R. Exploring the interaction between O3 and NOx pollution patterns in the atmosphere of Barcelona, Spain using the MCR-ALS method (2015) Science of the Total Environment, 517, pp. 151-161.

Puig-Castellví, F., Alfonso, I., Piña, B., Tauler, R. A quantitative 1H NMR approach for evaluating the metabolic response of Saccharomyces cerevisiae to mild heat stress (2015) Metabolomics, 11 (6), pp. 1612-1625.

Jaumot, J., Navarro, A., Faria, M., Barata, C., Tauler, R., Piña, B. qRT-PCR evaluation of the transcriptional response of zebra mussel to heavy metals (2015) BMC Genomics, 16 (1), art. no. 354, .

Abou Fadel, M., Zhang, X., De Juan, A., Tauler, R., Vezin, H., Duponchel, L. Extraction of Pure Spectral Signatures and Corresponding Chemical Maps from EPR Imaging Data Sets: Identifying Defects on a CaF2 Surface Due to a Laser Beam Exposure (2015) Analytical Chemistry, 87 (7), pp. 3929-3935.

Ahmadi, G., Tauler, R., Abdollahi, H. Multivariate calibration of first-order data with the correlation constrained MCR-ALS method (2015) Chemometrics and Intelligent Laboratory Systems, 142, pp. 143-150.

Jaumot, J., de Juan, A., Tauler, R. MCR-ALS GUI 2.0: New features and applications (2015) Chemometrics and Intelligent Laboratory Systems, 140, pp. 1-12.

Checa, A., Bedia, C., Jaumot, J. Lipidomic data analysis: Tutorial, practical guidelines and applications (2015) Analytica Chimica Acta, 885, pp. 1-16.

Rivetti, C., Campos, B., Faria, M., De Castro Català, N., Malik, A., Muñoz, I., Tauler, R., Soares, A.M.V.M., Osorio, V., Pérez, S., Gorga, M., Petrovic, M., Mastroianni, N., de Alda, M.L., Masiá, A., Campo, J., Picó, Y., Guasc, H., Barceló, D., Barata, C. Transcriptomic, biochemical and individual markers in transplanted Daphnia magna to characterize impacts in the field (2015) Science of the Total Environment, 503-504, pp. 200-212.

Jaumot, J., Tauler, R. Potential use of multivariate curve resolution for the analysis of mass spectrometry images (2015) Analyst, 140 (3), pp. 837-846.

Tauler, R., de Juan, A. Multivariate Curve Resolution for Quantitative Analysis (2015) Data Handling in Science and Technology, 29, pp. 247-292.

Dalmau, N., Jaumot, J., Tauler, R., Bedia, C. Epithelial-to-mesenchymal transition involves triacylglycerol accumulation in DU145 prostate cancer cells (2015) Molecular BioSystems, 11 (12), pp. 3397-3406.

Farrés, M., Platikanov, S., Tsakovski, S., Tauler, R. Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation (2015) Journal of Chemometrics, 29 (10), pp. 528-536.

Malik, A., De Juan, A., Tauler, R. Multivariate curve resolution: A different way to examine chemical data (2015) ACS Symposium Series, 1199, pp. 95-128.

Gorrochategui, E., Casas, J., Porte, C., Lacorte, S., Tauler, R. Chemometric strategy for untargeted lipidomics: Biomarker detection and identification in stressed human placental cells (2015) Analytica Chimica Acta, 854, pp. 20-33.

Farrés, M., Martrat, B., de Mol, B., Grimalt, J.O., Tauler, R. Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318) (2015) Analytica Chimica Acta, 879, pp. 1-9.

Felten, J., Hall, H., Jaumot, J., Tauler, R., De Juan, A., Gorzsás, A. Vibrational spectroscopic image analysis of biological material using multivariate curve resolution-alternating least squares (MCR-ALS) (2015) Nature Protocols, 10 (2), pp. 217-240.

Ortiz-Villanueva, E., Jaumot, J., Benavente, F., Piña, B., Sanz-Nebot, V., Tauler, R. Combination of CE-MS and advanced chemometric methods for high-throughput metabolic profiling (2015) Electrophoresis, 36 (18), pp. 2324-2335.

Piqueras, S., Krafft, C., Beleites, C., Egodage, K., von Eggeling, F., Guntinas-Lichius, O., Popp, J., Tauler, R., de Juan, A. Combining multiset resolution and segmentation for hyperspectral image analysis of biological tissues (2015) Analytica Chimica Acta, 881, pp. 24-36.

Jordão, R., Casas, J., Fabrias, G., Campos, B., Piña, B., Lemos, M.F.L., Soares, A.M.V.M., Tauler, R., Barata, C. Obesogens beyond vertebrates: Lipid perturbation by tributyltin in the crustacean Daphnia magna (2015) Environmental Health Perspectives, 123 (8), pp. 813-819.

2014

De Juan, A., Piqueras, S., Maeder, M., Hancewicz, T., Duponchel, L., Tauler, R. Chemometric Tools for Image Analysis (2014) Infrared and Raman Spectroscopic Imaging: Second Edition, pp. 57-110.

Godinho, M.S., Blanco, M.R., Gambarra Neto, F.F., Lião, L.M., Sena, M.M., Tauler, R., De Oliveira, A.E. Evaluation of transformer insulating oil quality using NIR, fluorescence, and NMR spectroscopic data fusion (2014) Talanta, 129, pp. 143-149.

Alier, M., Osto, M.D., Lin, Y.-H., Surratt, J.D., Tauler, R., Grimalt, J.O., van Drooge, B.L. On the origin of water-soluble organic tracer compounds in fine aerosols in two cities: the case of Los Angeles and Barcelona (2014) Environmental science and pollution research international, 21 (20), pp. 11649-11660.

Luca, M.D., Ragno, G., Ioele, G., Tauler, R. Multivariate curve resolution of incomplete fused multiset data from chromatographic and spectrophotometric analyses for drug photostability studies (2014) Analytica Chimica Acta, 837, pp. 31-37.

De Juan, A., Jaumot, J., Tauler, R. Multivariate Curve Resolution (MCR). Solving the mixture analysis problem (2014) Analytical Methods, 6 (14), pp. 4964-4976.

Malik, A., Tauler, R. Performance and validation of MCR-ALS with quadrilinear constraint in the analysis of noisy datasets (2014) Chemometrics and Intelligent Laboratory Systems, 135, pp. 223-234.

De Oliveira, R.R., De Lima, K.M.G., De Juan, A., Tauler, R. Application of correlation constrained multivariate curve resolution alternating least-squares methods for determination of compounds of interest in biodiesel blends using NIR and UV-visible spectroscopic data (2014) Talanta, 125, pp. 233-241.

Platikanov, S., Rodriguez-Mozaz, S., Huerta, B., Barceló, D., Cros, J., Batle, M., Poch, G., Tauler, R. Chemometrics quality assessment of wastewater treatment plant effluents using physicochemical parameters and UV absorption measurements (2014) Journal of Environmental Management, 140, pp. 33-44.

Piqueras, S., Duponchel, L., Tauler, R., De Juan, A. Monitoring polymorphic transformations by using in situ Raman hyperspectral imaging and image multiset analysis (2014) Analytica Chimica Acta, 819, pp. 15-25.

Radović, J.R., Thomas, K.V., Parastar, H., Díez, S., Tauler, R., Bayona, J.M. Chemometrics-assisted effect-directed analysis of crude and refined oil using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (2014) Environmental Science and Technology, 48 (5), pp. 3074-3083.

Igne, B., Juan, A.D., Jaumot, J., Lallemand, J., Preys, S., Drennen, J.K., Anderson, C.A. Modeling strategies for pharmaceutical blend monitoring and end-point determination by near-infrared spectroscopy (2014) International Journal of Pharmaceutics, 473 (1-2), pp. 219-231.

Benabou, S., Ferreira, R., Aviñó, A., González, C., Lyonnais, S., Solà, M., Eritja, R., Jaumot, J., Gargallo, R. Solution equilibria of cytosine- and guanine-rich sequences near the promoter region of the n-myc gene that contain stable hairpins within lateral loops (2014) Biochimica et Biophysica Acta – General Subjects, 1840 (1), pp. 41-52.

Parastar, H., Tauler, R. Multivariate curve resolution of hyphenated and multidimensional chromatographic measurements: A new insight to address current chromatographic challenges (2014) Analytical Chemistry, 86 (1), pp. 286-297.

Alier, M., Osto, M.D., Lin, Y.-H., Surratt, J.D., Tauler, R., Grimalt, J.O., van Drooge, B.L. On the origin of water-soluble organic tracer compounds in fine aerosols in two cities: the case of Los Angeles and Barcelona (2014) Environmental Science and Pollution Research, pp. 1-12.

Lima, K.M.G., Bedia, C., Tauler, R. A non-target chemometric strategy applied to UPLC-MS sphingolipid analysis of a cell line exposed to chlorpyrifos pesticide: A feasibility study (2014) Microchemical Journal, 117, pp. 255-261.

Bassbasi, M., Platikanov, S., Tauler, R., Oussama, A. FTIR-ATR determination of solid non fat (SNF) in raw milk using PLS and SVM chemometric methods (2014) Food Chemistry, 146, pp. 250-254.

Kotwa, E., Lacorte, S., Duarte, C., Tauler, R. Investigation of Arctic and Antarctic spatial and depth patterns of sea water in CTD profiles using chemometric data analysis (2014) Polar Science, 8 (3), pp. 242-254.

Zhang, X., Marcé, R., Armengol, J., Tauler, R. Distribution of dissolved organic matter in freshwaters using excitation emission fluorescence and Multivariate Curve Resolution (2014) Chemosphere, 111, pp. 120-128.

Farrés, M., Piña, B., Tauler, R. Chemometric evaluation of Saccharomyces cerevisiae metabolic profiles using LC–MS (2014) Metabolomics, 11 (1), pp. 210-224.

García-Reiriz, A.G., Olivieri, A.C., Teixidó, E., Ginebreda, A., Tauler, R. Chemometric modeling of organic contaminant sources in surface waters of a mediterranean river basin (2014) Environmental Sciences: Processes and Impacts, 16 (1), pp. 124-134.

Março, P.H., Valderrama, P., Alexandrino, G.L., Poppi, R.J., Tauler, R. Multivariate curve resolution with alternating least squares: Description, operation and application [Resolução multivariada de curvas com mínimos quadrados alternantes: Descrição, funcionamento e aplicações] (2014) Quimica Nova, 37 (9), pp. 1525-1532.

Fernandes, D., Pujol, S., Pérez-Albaladejo, E., Tauler, R., Bebianno, M.J., Porte, C. Characterization of the environmental quality of sediments from two estuarine systems based on different in-vitro bioassays (2014) Marine Environmental Research, 96, pp. 127-135.

Tauler, R., Marini, F., Walczak, B., Buydens, L., Brereton, R.G., Buchberger, W., Worsfold, P.J. European Analytical Column Number 42 (2014) Journal of Analytical Chemistry, 69 (8), pp. 812-816.

2013

Lopez-Roldan, R., Gonzalez, S., Pelayo, S., Piña, B., Platikanov, S., Tauler, R., De La Cal, A., Boleda, M.R., Cortina, J.L. Integration of on-line and off-line methodologies for the assessment of river water quality (2013) Water Science and Technology: Water Supply, 13 (5), pp. 1340-1347.

Sanchez-Martinez, M., Marcos, E., Tauler, R., Field, M., Crehuet, R. Conformational compression and barrier height heterogeneity in the N-acetylglutamate kinase (2013) Journal of Physical Chemistry B, 117 (46), pp. 14261-14272.

Van Mechelen, I., Tauler, R. Multiway and multiset methods (2013) Chemometrics and Intelligent Laboratory Systems, 129, pp. 1-2.

Alier, M., Van Drooge, B.L., Dall’Osto, M., Querol, X., Grimalt, J.O., Tauler, R. Source apportionment of submicron organic aerosol at an urban background and a road site in Barcelona (Spain) during SAPUSS (2013) Atmospheric Chemistry and Physics, 13 (20), pp. 10353-10371.

Dall’Osto, M., Querol, X., Alastuey, A., Minguillon, M.C., Alier, M., Amato, F., Brines, M., Cusack, M., Grimalt, J.O., Karanasiou, A., Moreno, T., Pandolfi, M., Pey, J., Reche, C., Ripoll, A., Tauler, R., Van Drooge, B.L., Viana, M., Harrison, R.M., Gietl, J., Beddows, D., Bloss, W., O’Dowd, C., Ceburnis, D., Martucci, G., Ng, N.L., Worsnop, D., Wenger, J., Mc Gillicuddy, E., Sodeau, J., Healy, R., Lucarelli, F., Nava, S., Jimenez, J.L., Gomez Moreno, F., Artinano, B., Prévôt, A.S.H., Pfaffenberger, L., Frey, S., Wilsenack, F., Casabona, D., Jiménez-Guerrero, P., Gross, D., Cots, N. Presenting SAPUSS: Solving aerosol problem by using synergistic strategies in Barcelona, Spain (2013) Atmospheric Chemistry and Physics, 13 (17), pp. 8991-9019.

Malik, A., Tauler, R. Extension and application of multivariate curve resolution-alternating least squares to four-way quadrilinear data-obtained in the investigation of pollution patterns on Yamuna River, India-A case study (2013) Analytica Chimica Acta, 794, pp. 20-28.

Alves, G.M.S., Magalhães, J.M.C.S., Tauler, R., Soares, H.M.V.M. Simultaneous anodic stripping voltammetric determination of Pb and Cd, using a vibrating gold microwire electrode, assisted by chemometric techniques (2013) Electroanalysis, 25 (8), pp. 1895-1906.

Sánchez-Avila, J., Vicente, J., Echavarri-Erasun, B., Porte, C., Tauler, R., Lacorte, S. Sources, fluxes and risk of organic micropollutants to the Cantabrian Sea (Spain) (2013) Marine Pollution Bulletin, 72 (1), pp. 119-132.

Alier, M., Tauler, R. Multivariate Curve Resolution of incomplete data multisets (2013) Chemometrics and Intelligent Laboratory Systems, 127, pp. 17-28.

Piqueras, S., Duponchel, L., Offroy, M., Jamme, F., Tauler, R., De Juan, A. Chemometric strategies to unmix information and increase the spatial description of hyperspectral images: A single-cell case study (2013) Analytical Chemistry, 85 (13), pp. 6303-6311.

Parastar, H., Radović, J.R., Bayona, J.M., Tauler, R. Solving chromatographic challenges in comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry using multivariate curve resolution-alternating least squares ABC Highlights: Authored by Rising Stars and Top Experts (2013) Analytical and Bioanalytical Chemistry, 405 (19), pp. 6235-6249.

Dadashi, M., Abdollahi, H., Tauler, R. Application of maximum likelihood multivariate curve resolution to noisy data sets (2013) Journal of Chemometrics, 27 (1-2), pp. 34-41.

Bassbasi, M., Hafid, A., Platikanov, S., Tauler, R., Oussama, A. Study of motor oil adulteration by infrared spectroscopy and chemometrics methods (2013) Fuel, 104, pp. 798-804.

De Juan, A., Abdollahi, H., Maeder, M., Rajkó, R., Tauler, R. Report on a meeting on rotational ambiguity in soft-modelling analyses (2013) Journal of Chemometrics, 27 (1-2), pp. 1-2.

Platikanov, S., Garcia, V., Fonseca, I., Rullán, E., Devesa, R., Tauler, R. Influence of minerals on the taste of bottled and tap water: A chemometric approach (2013) Water Research, 47 (2), pp. 693-704.

Zhang, X., Tauler, R. Application of Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) to remote sensing hyperspectral imaging (2013) Analytica Chimica Acta, 762, pp. 25-38.

De Luca, M., Tauler, R., Ioele, G., Ragno, G. Study of photodegradation kinetics of melatonin by multivariate curve resolution (MCR) with estimation of feasible band boundaries (2013) Drug Testing and Analysis, 5 (2), pp. 96-102.

Dantas, C., Tauler, R., Ferreira, M.M.C. Exploring in vivo violacein biosynthesis by application of multivariate curve resolution on fused UV-VIS absorption, fluorescence, and liquid chromatography-mass spectrometry data (2013) Analytical and Bioanalytical Chemistry, 405 (4), pp. 1293-1302.

Jaumot, J., Igne, B., Anderson, C.A., Drennen, J.K., De Juan, A. Blending process modeling and control by multivariate curve resolution (2013) Talanta, 117, pp. 492-504.