Romá Tauler
Biography
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Short CV profile (end of 2012): PhD in Chemistry at the University of Barcelona in 1984. Research Professor at the Institute of Environmental Assessment and Water Research (IDÆA), CSIC, Spain, since July 2003. Associate Professor of Analytical Chemistry at the Analytical Chemistry Department of the University of Barcelona during 1987-2003. Postdoc grants at Institut für Anorg. u. Anal. Chemie, Univ. of Innsbruck, Innsbruck (Austria) in 1985 and 1989. Sabbatical grant as a research scientist at the Center for Process Analytical Chemistry (CPAC), Department of Chemistry, University of Washington, Seattle, USA, in 1992. 2012 Advanced Grant award from the European Research Council ERC-2012-AdG Proposal n° 320737 CHEMAGEBE (2013-2017). 2009 Award for Achievements in Chemometrics, Eastern Analytical Symposium, Somerset, New Jersey USA, November 2009. 2009 Kowalski Prize (together with Anna de Juan, Marcel Maeder and Thomas Hancewicz) given by the journal J. of Chemometrics, Wiley. Chief Editor of Journal of Chemometrics and Intelligent Laboratory Systems. Chief Editor of the major reference work Comprehensive Chemometrics, Chemical and Biochemical Data Analysis (Elsevier), 4 vol, more than 100 chapters and more than 3000 pages, published in 2009. President of the Catalan Society of Chemistry (since 2008). About 300 scientific publications (240 original research papers included in SCI of referenced scientific journals, h-index 39, more than 6100 cites). Research lines: Chemometrics: development of multivariate data analysis methods and especially of Multivariate Curve Resolution (MCR) methods for the analysis of multiway and multiset data in Environmental, Analytical and Omics sciences. |
Profile
| Institution | IDAEA |
| Position | Research Professor |
| Home page | https://www.cid.csic.es/homes/rtaqam/ |
| Contact email | roma.tauler@idaea.csic.es |
| ORCID | 0000-0001-8559-9670 |
BCB Hub
| BCB Committee | Not a member |
| BCB Tools | |
| BCB Services |
Publications 340 entries
- Regions of interest three-way multivariate curve resolution analysis of lipid LC–IMS–MS/MS data Article · Oct 2026
- From LC-HRMS raw data to compound annotation: a chemometrics perspective for non-target MS analysis Article · Oct 2026
- Water bodies pollution sources apportionment and their spatiotemporal profiling captured by a chemometrics scalar field theory framework Article · Aug 2026
- Regions of interest multivariate curve resolution for liquid chromatography with ion mobility high-resolution tandem mass spectrometry: analysis of plastic additives Article · 22 Jun 2026
- Tracking pollution sources in a river network by spatiotemporal modeling of untargeted GC-MS measurements Article · 26 May 2026
View all (335 more)
- Impact of the superblock model on key components of the urban water cycle: Trace metals and dissolved organic matter dynamics across the built environment Article · May 2026
- Household dust organic pollution across Spain: exposure and risk assessment Article · Feb 2026
- Analysis of ischemic intestinal tissue composition based on visible and near-infrared reflectance hyperspectral imaging and multivariate curve resolution Article · Feb 2026
- GC-Orbitrap-HRMS with ROIMCR and MSident targeted and non-targeted analysis of persistent organic pollutants in fish-based certified reference materials Article · Jan 2026
- Non-target metabolomic approach of the toxic effects of glyphosate in zebrafish (D. rerio) Article · Dec 2025
- An automated preprocessing framework for near infrared spectroscopic data Article · Dec 2025
- Enhancing Chemical Image Analysis: Utilizing the Successive Projection Algorithm for Unmixing Article · Oct 2025
- A unifying framework for modelling non-negative bi-linear, tri-linear and “in-between” data in chemometrics. Part I: Theoretical framework and concepts Article · Oct 2025
- Assessing neurological and cardiovascular effects caused by pharmaceuticals in river water: Insights from Daphnia magna and Danio rerio embryos Article · Sep 2025
- Improving Regions of Interest Multivariate Curve Resolution: Development of an Empirical Metric System through the Study of Passive Sampling Extracts of Wastewater in Antarctica Article · 13 Jun 2025
- Untargeted metabolomics HRMS data processing using regions of interest and multivariate curve resolution approaches to unveil health-to-disease transition Article · Jun 2025
- Multiblock NIR and MIR spectralprint through AComDim to evaluate the effects of growing site, harvest season, and clone on yerba mate leaves composition Article · Jun 2025
- Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods Article · Apr 2025
- Changes in the rhizosphere metabolome profile of wastewater-irrigated lettuces (Lactuca sativa L.) highlighted using non-target HRMS and ROIMCR chemometrics method Article · Mar 2025
- Feasible band boundaries computation in bilinear matrix decomposition using essential data Article · Jan 2025
- Still there: Persistent Organic Pollutants in fish from two Italian high-mountain lakes Article · 2025
- Exploring the pyrolytic degradation of seventeen phthalate esters using the non-targeted regions of interest-multivariate curve resolution (ROIMCR) chemometric method Article · Dec 2024
- Evaluation of the influence of temperature and time exposure on Peruvian Maca (Lepidium meyenii) flour samples through NIR spectroscopy and chemometrics Article · Dec 2024
- Temporal and Spatial Relationships Between Climatic Indices and Precipitation Zones in Europe, Spain and Catalonia Article · 29 Nov 2024
- Dealing with missing data blocks in Multivariate Curve resolution. Towards a general framework based on a single factorization model Article · Oct 2024
- Chemometrics and intelligent laboratory systems Analytica Chimica Acta Article · Sep 2024
- Flexible Trilinearity Alignment (FTA) and Shift Invariant Transformation (SIT) Constraints in Three‐Way Multivariate Curve Resolution Data Analysis Article · 8 Aug 2024
- Multivariate curve resolution-based data fusion approaches applied in 1H NMR metabolomic analysis of healthy cohorts Article · Jun 2024
- Multivariate curve resolution of incomplete and partly trilinear multiblock datasets Article · Apr 2024
- Uv–Vis molecular spectral resolution of multi-level mixture design-fingerprints of yerba mate leaves by chemometric methods Article · Apr 2024
- UV-Vis absorption spectrophotometry and LC-DAD-MS-ESI(+)-ESI(−) coupled to chemometrics analysis of the monitoring of sulfamethoxazole degradation by chlorination, photodegradation, and chlorination/photodegradation Article · Oct 2023
- Bilinear model factor decomposition: A general mixture analysis tool Article · Sep 2023
- Linking MS1 and MS2 signals in positive and negative modes of LC-HRMS in untargeted metabolomics using the ROIMCR approach Article · 17 Aug 2023
- Non-target ROIMCR LC–MS analysis of the disruptive effects of TBT over time on the lipidomics of Daphnia magna Article · 7 Aug 2023
- Regions of Interest Multivariate Curve Resolution Liquid Chromatography with Data-Independent Acquisition Tandem Mass Spectrometry Article · 5 May 2023
- Littoral macrobenthic invertebrates of two high-altitude lakes in the Alps: A small-scale analysis Article · Apr 2023
- A Multi-Level Systems Biology Analysis of Aldrin’s Metabolic Effects on Prostate Cancer Cells Article · 23 Mar 2023
- A biochemical and lipidomic approach to perceive Halimione portulacoides (L.) response to mercury: An environmental perspective Article · Jan 2023
- Effects of sulfamethoxazole exposure on mussels (Mytilus galloprovincialis) metabolome using retrospective non-target high-resolution mass spectrometry and chemometric tools Article · Jan 2023
- SigSel: A MATLAB package for the pre and post-treatment of high-resolution mass spectrometry signals using the ROIMCR methodology Article · 2023
- Phenotypic and Metabolomic Characterization of 3D Lung Cell Cultures Exposed to Airborne Particulate Matter from Three Air Quality Network Stations in Catalonia Article · 22 Oct 2022
- Big (Bio)Chemical Data Mining Using Chemometric Methods: A Need for Chemists Article · 29 Sep 2022
- Noise effects on band boundaries in multivariate curve resolution of three-component systems Article · Sep 2022
- Mutual information map as a new way for exploring the independence of chemically meaningful solutions in two-component analytical data Article · Sep 2022
- Advanced analytical, chemometric, and genomic tools to identify polymer degradation products and potential microbial consumers in wastewater environments Article · Aug 2022
- A model for simultaneous evaluation of NO 2 , O 3 , and PM 10 pollution in urban and rural areas: handling incomplete data sets with multivariate curve resolution analysis Article · 14 Jul 2022
- Combining Pharmacokinetics and Vibrational Spectroscopy: MCR-ALS Hard-and-Soft Modelling of Drug Uptake In Vitro Using Tailored Kinetic Constraints Article · 5 May 2022
- Flexible Implementation of the Trilinearity Constraint in Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) of Chromatographic and Other Type of Data Article · 5 Apr 2022
- Non-targeted Gas Chromatography Orbitrap Mass Spectrometry qualitative and quantitative analysis of semi-volatile organic compounds in indoor dust using the Regions of Interest Multivariate Curve Resolution chemometrics procedure Article · Apr 2022
- Coupling of spectrometric, chromatographic, and chemometric analysis in the investigation of the photodegradation of sulfamethoxazole Article · Mar 2022
- Understanding temporal and spatial changes of O3 or NO2 concentrations combining multivariate data analysis methods and air quality transport models Article · Feb 2022
- How noise affects the band boundaries in multivariate curve resolution Article · Jan 2022
- An underground strategy to increase mercury tolerance in the salt marsh halophyte Juncus maritimus Lam.: Lipid remodelling and Hg restriction Article · Nov 2021
- Temporal air quality (NO2, O3, and PM10) changes in urban and rural stations in Catalonia during COVID-19 lockdown: an association with human mobility and satellite data Article · 27 Oct 2021
- Pheomelanin subunit non-destructive quantification by Raman spectroscopy and multivariate curve resolution-alternating least squares (MCR-ALS) Article · Oct 2021
- Non-target protein analysis of samples from wastewater treatment plants using the regions of interest-multivariate curve resolution (ROIMCR) chemometrics method Article · Aug 2021
- Multimodal multisample spectroscopic imaging analysis of tumor tissues using multivariate curve resolution Article · Aug 2021
- Multivariate analysis of the operational parameters and environmental factors of an industrial solar pond Article · Jul 2021
- Combined targeted/untargeted analytical and chemometric approaches in the characterization of Daphnia magna metabolomic changes under bisphenol A exposure Article · Jun 2021
- Untargeted metabolomics of prostate cancer zwitterionic and positively charged compounds in urine Article · May 2021
- Multivariate Curve Resolution: 50 years addressing the mixture analysis problem – A review Article · Feb 2021
- Monitoring biodiesel and its intermediates in transesterification reactions with multivariate curve resolution alternating least squares calibration models Article · Jan 2021
- Balanced scaling as a pretreatment step in Multivariate Curve Resolution analysis of noisy data Article · Jan 2021
- Untargeted metabolomics changes on Gammarus pulex induced by propranolol, triclosan, and nimesulide pharmaceutical drugs Article · Dec 2020
- N‐BANDS: A new algorithm for estimating the extension of feasible bands in multivariate curve resolution of multicomponent systems in the presence of noise and rotational ambiguity Article · 20 Nov 2020
- TRICAP 2018 Angel Fire Resort, New Mexico Article · 13 Nov 2020
- Interval estimation in multivariate curve resolution by exploiting the principles of error propagation in linear least squares Article · Nov 2020
- Editorial section - VSI: CCM X Article · Oct 2020
- Multivariate curve resolution of multiway data using the multilinearity constraint Article · 12 Jul 2020
- MCR-ALS analysis of 1H NMR spectra by segments to study the zebrafish exposure to acrylamide Article · 2 Jul 2020
- Photostability study of multicomponent drug formulations via MCR-ALS: The case of the hydrochlorothiazide-amiloride mixture Article · Jul 2020
- Polycyclic aromatic hydrocarbon source fingerprints in the environmental samples of Anzali—South of Caspian Sea Article · 9 Jun 2020
- Chemometrics modelling of temporal changes of ozone half hourly concentrations in different monitoring stations Article · Jun 2020
- Chemometrics characterization of The Llobregat river dissolved organic matter Article · Jun 2020
- Application of the area correlation constraint in the MCR-ALS quantitative analysis of complex mixture samples Article · May 2020
- Application of chemometric methods to the analysis of multimodal chemical images of biological tissues Article · 30 Apr 2020
- Data mining Raman microspectroscopic responses of cells to drugs in vitro using multivariate curve resolution-alternating least squares Article · Feb 2020
- Bilinear and trilinear modelling of three-way data obtained in two factor designed metabolomics studies Article · Feb 2020
- Patterns of cyanobacterial abundance in a major drinking water reservoir: what 3 years of comprehensive monitoring data reveals? Article · 15 Jan 2020
- Evaluation of receptor and chemical transport models for PM10 source apportionment Article · Jan 2020
- Does the signal contribution function attain its extrema on the boundary of the area of feasible solutions? Article · Jan 2020
- Preface Book / chapter · 2020
- Bayesian Methods for Factor Analysis in Chemometrics Book / chapter · 2020
- Introduction to Multivariate Curve Resolution Book / chapter · 2020
- Introduction to Linear Soft-Modeling Book / chapter · 2020
- A perspective on modeling evolution Article · 25 Dec 2019
- GM2-GM3 gangliosides ratio is dependent on GRP94 through down-regulation of GM2-AP cofactor in brain metastasis cells Article · 2 Oct 2019
- Evaluation of the extension of rotation ambiguity associated to multivariate curve resolution solutions by the application of the MCR-BANDS method Article · Sep 2019
- A novel systematic absence of cross peaks-based 2D-COS approach for bilinear data Article · Sep 2019
- Stoichiometric gene-to-reaction associations enhance model-driven analysis performance: Metabolic response to chronic exposure to Aldrin in prostate cancer Article · 15 Aug 2019
- Chemometric analysis for river water quality assessment at the intake of drinking water treatment plants Article · Jun 2019
- Tryptophan hydroxylase (TRH) loss of function mutations in Daphnia deregulated growth, energetic, serotoninergic and arachidonic acid metabolic signalling pathways Article · 6 Mar 2019
- Assessment of tissue-specific multifactor effects in environmental –omics studies of heterogeneous biological samples: Combining hyperspectral image information and chemometrics Article · Mar 2019
- Chemometrics analysis of petroleum hydrocarbons sources in the street dust, runoff and sediment of urban rivers in Anzali port - South of Caspian Sea Article · Dec 2018
- Effect of psychiatric drugs on Daphnia magna oxylipin profiles Article · Dec 2018
- Metabolomic changes induced by nicotine in adult zebrafish skeletal muscle Article · Nov 2018
- Comparative analysis of 1 H NMR and 1 H– 13 C HSQC NMR metabolomics to understand the effects of medium composition in yeast growth Article · 15 Oct 2018
- Phenotypic and lipidomic characterization of primary human epidermal keratinocytes exposed to simulated solar UV radiation Article · Oct 2018
- Validation of the Regions of Interest Multivariate Curve Resolution (ROIMCR) procedure for untargeted LC-MS lipidomic analysis Article · Sep 2018
- Chemometrics in analytical chemistry—part II: modeling, validation, and applications Article · 2 Aug 2018
- Exposure to chlorpyrifos induces morphometric, biochemical and lipidomic alterations in green beans (Phaseolus vulgaris) Article · Jul 2018
- Acrylamide acute neurotoxicity in adult zebrafish Article · 21 May 2018
- Differential gene transcription across the life cycle in Daphnia magna using a new all genome custom-made microarray Article · 18 May 2018
- Quantifying the Prediction Error in Analytical Multivariate Curve Resolution Studies of Multicomponent Systems Article · 11 May 2018
- Deciphering the Underlying Metabolomic and Lipidomic Patterns Linked to Thermal Acclimation in Saccharomyces cerevisiae Article · 30 Apr 2018
- Untargeted lipidomic analysis of primary human epidermal melanocytes acutely and chronically exposed to UV radiation Article · 26 Apr 2018
- Handling Different Spatial Resolutions in Image Fusion by Multivariate Curve Resolution-Alternating Least Squares for Incomplete Image Multisets Article · 26 Apr 2018
- 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 Article · 30 Mar 2018
- Investigation of the photodegradation profile of tamoxifen using spectroscopic and chromatographic analysis and multivariate curve resolution Article · Mar 2018
- Comprehensive characterization of neurochemicals in three zebrafish chemical models of human acute organophosphorus poisoning using liquid chromatography-tandem mass spectrometry Article · 9 Jan 2018
- Combined effects of salinity, temperature and hypoxia on Daphnia magna metabolism Article · Jan 2018
- Introduction to the Data Analysis Relevance in the Omic Era Book / chapter · 2018
- Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples Article · 2018
- Compression and Resolution Tools for the Analysis of Untargeted Metabolomic Data Book / chapter · 2018
- Applications of Metabolomics Analysis in Environmental Research Book / chapter · 2018
- Factor Analysis/Multivariate Curve Resolution Book / chapter · 2018
- Preprocessing Tools Applied to Improve the Assessment of Aldrin Effects on Prostate Cancer Cells Using Raman Spectroscopy Article · 28 Dec 2017
- Detection of formaldehyde oxidation catalysis by MCR-ALS analysis of multiset ToF-SIMS data in positive and negative modes Article · Dec 2017
- Analysis of neurobehavioural data by chemometric methods in ecotoxicological studies Article · Nov 2017
- Modelling acrylamide acute neurotoxicity in zebrafish larvae Article · 24 Oct 2017
- Multivariate curve resolution of organic pollution patterns in mangrove forest sediment from Qeshm Island and Khamir Port—Persian Gulf, Iran Article · 23 Oct 2017
- Combining hyperspectral imaging and chemometrics to assess and interpret the effects of environmental stressors on zebrafish eye images at tissue level Article · 4 Oct 2017
- Relevant aspects of unmixing/resolution analysis for the interpretation of biological vibrational hyperspectral images Article · Sep 2017
- Editorial Article · Sep 2017
- Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools Article · 3 Aug 2017
- Receptor modeling of environmental aerosol data using MLPCA-MCR-ALS Article · Aug 2017
- Linking the morphological and metabolomic response of Lactuca sativa L exposed to emerging contaminants using GC × GC-MS and chemometric tools Article · 26 Jul 2017
- Unraveling the Multistimuli Responses of a Complex Dynamic System of Pseudopeptidic Macrocycles Article · 12 Jun 2017
- A new matching image preprocessing for image data fusion Article · May 2017
- Powerful combination of analytical and chemometric methods for the photodegradation of 5-Fluorouracil Article · Apr 2017
- Untargeted assignment and automatic integration of 1 H NMR metabolomic datasets using a multivariate curve resolution approach Article · Apr 2017
- Unveiling the Metabolic Changes on Muscle Cell Metabolism Underlying p-Phenylenediamine Toxicity Article · 6 Mar 2017
- Chemometric analysis of comprehensive two dimensional gas chromatography–mass spectrometry metabolomics data Article · Mar 2017
- Error propagation along the different regions of multivariate curve resolution feasible solutions Article · Mar 2017
- The effect of data matrix augmentation and constraints in extended multivariate curve resolution–alternating least squares Article · 10 Feb 2017
- A systematic study on the effect of noise and shift on multivariate figures of merit of second-order calibration algorithms Article · Feb 2017
- Assessment of chlorpyrifos toxic effects in zebrafish (Danio rerio) metabolism Article · Jan 2017
- Predicting consumer preferences for mineral composition of bottled and tap water Article · Jan 2017
- Structural Analysis of Multi-component Amyloid Systems by Chemometric SAXS Data Decomposition Article · Jan 2017
- Barry K. Lavine, Steven D. Brown, Karl S. Booksh (Eds.): 40 years of chemometrics—from Bruce Kowalski to the future Article · 1 Dec 2016
- Exploring the disruptive effects of TBT on lipid homeostasis of Daphnia magna using chemometric methods Article · Dec 2016
- Mechanisms of Action of Compounds That Enhance Storage Lipid Accumulation in Daphnia magna Article · 10 Nov 2016
- Diet-sourced carbon-based nanoparticles induce lipid alterations in tissues of zebrafish ( Danio rerio ) with genomic hypermethylation changes in brain Article · 26 Oct 2016
- Area correlation constraint for the MCR−ALS quantification of cholesterol using EEM fluorescence data: A new approach Article · Sep 2016
- 1H NMR metabolomic study of auxotrophic starvation in yeast using Multivariate Curve Resolution-Alternating Least Squares for Pathway Analysis Article · 3 Aug 2016
- Targeted metabolomics of Gammarus pulex following controlled exposures to selected pharmaceuticals in water Article · Aug 2016
- Assessment of the effects of As(III) treatment on cyanobacteria lipidomic profiles by LC-MS and MCR-ALS Article · 16 Jun 2016
- Induction of multixenobiotic defense mechanisms in resistant Daphnia magna clones as a general cellular response to stress Article · Jun 2016
- Perfluoroalkylated Substance Effects in Xenopus laevis A6 Kidney Epithelial Cells Determined by ATR-FTIR Spectroscopy and Chemometric Analysis Article · 25 Apr 2016
- Metabolic profiling of Daphnia magna exposed to environmental stressors by GC–MS and chemometric tools Article · 16 Mar 2016
- Compounds altering fat storage in Daphnia magna Article · Mar 2016
- A review of recent methods for the determination of ranges of feasible solutions resulting from soft modelling analyses of multivariate data Article · Mar 2016
- Analytical investigation of secondary metabolites extracted from Camellia sinensis L. leaves using a HPLC‐DAD‐ESI/MS data fusion strategy and chemometric methods Article · 12 Jan 2016
- Local rank-based spatial information for improvement of remote sensing hyperspectral imaging resolution Article · Jan 2016
- 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 Article · Jan 2016
- Multivariate Curve Resolution-Alternating Least Squares for Spectroscopic Data Book / chapter · 2016
- Ambiguities in Multivariate Curve Resolution Book / chapter · 2016
- LC-MS based metabolomics and chemometrics study of the toxic effects of copper on Saccharomyces cerevisiae Article · 2016
- Two-generational effects of contaminants in Daphnia magna : Effects of offspring quality Article · 27 Oct 2015
- Measuring and comparing the resolution performance and the extent of rotation ambiguities of some bilinear modeling methods Article · Oct 2015
- FTIR Spectroscopy and PLS-DA Classification and Prediction of Four Commercial Grade Virgin Olive Oils from Morocco Article · 5 Aug 2015
- Multivariate Curve Resolution Applied to Hyperspectral Imaging Analysis of Chocolate Samples Article · Aug 2015
- Comparison of the variable importance in projection (VIP) and of the selectivity ratio (SR) methods for variable selection and interpretation Article · 21 Jul 2015
- Exploring the interaction between O3 and NOx pollution patterns in the atmosphere of Barcelona, Spain using the MCR–ALS method Article · Jun 2015
- Extraction of climatic signals from fossil organic compounds in marine sediments up to 11.7Ma old (IODP-U1318) Article · Jun 2015
- Combining multiset resolution and segmentation for hyperspectral image analysis of biological tissues Article · Jun 2015
- A quantitative 1H NMR approach for evaluating the metabolic response of Saccharomyces cerevisiae to mild heat stress Article · 26 May 2015
- Obesogens beyond Vertebrates: Lipid Perturbation by Tributyltin in the Crustacean Daphnia magna Article · 24 Mar 2015
- Extraction of Pure Spectral Signatures and Corresponding Chemical Maps from EPR Imaging Data Sets: Identifying Defects on a CaF 2 Surface Due to a Laser Beam Exposure Article · 10 Mar 2015
- Multivariate calibration of first-order data with the correlation constrained MCR-ALS method Article · Mar 2015
- Multivariate Curve Resolution: A Different Way To Examine Chemical Data Book / chapter · Jan 2015
- Chemometric strategy for untargeted lipidomics: Biomarker detection and identification in stressed human placental cells Article · Jan 2015
- Transcriptomic, biochemical and individual markers in transplanted Daphnia magna to characterize impacts in the field Article · Jan 2015
- Multivariate Curve Resolution for Quantitative Analysis Book / chapter · 2015
- Landscape and local factors influence water purification in the Monteregian agroecosystem in Québec, Canada Article · 6 Dec 2014
- A non-target chemometric strategy applied to UPLC-MS sphingolipid analysis of a cell line exposed to chlorpyrifos pesticide: A feasibility study Article · Nov 2014
- Evaluation of transformer insulating oil quality using NIR, fluorescence, and NMR spectroscopic data fusion Article · Nov 2014
- Distribution of dissolved organic matter in freshwaters using excitation emission fluorescence and Multivariate Curve Resolution Article · Sep 2014
- Investigation of Arctic and Antarctic spatial and depth patterns of sea water in CTD profiles using chemometric data analysis Article · Sep 2014
- Chemometric Tools for Image Analysis Other · 11 Aug 2014
- Chemometrics quality assessment of wastewater treatment plant effluents using physicochemical parameters and UV absorption measurements Article · Jul 2014
- 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 Article · Jul 2014
- Performance and validation of MCR-ALS with quadrilinear constraint in the analysis of noisy datasets Article · Jul 2014
- Multivariate curve resolution of incomplete fused multiset data from chromatographic and spectrophotometric analyses for drug photostability studies Article · Jul 2014
- Chemometric evaluation of Saccharomyces cerevisiae metabolic profiles using LC–MS Article · 25 Jun 2014
- Characterization of the environmental quality of sediments from two estuarine systems based on different in-vitro bioassays Article · May 2014
- European analytical column Article · Apr 2014
- European Analytical Column No. 42 Article · 21 Mar 2014
- FTIR-ATR determination of solid non fat (SNF) in raw milk using PLS and SVM chemometric methods Article · Mar 2014
- Monitoring polymorphic transformations by using in situ Raman hyperspectral imaging and image multiset analysis Article · Mar 2014
- Chemometrics-Assisted Effect-Directed Analysis of Crude and Refined Oil Using Comprehensive Two-Dimensional Gas Chromatography–Time-of-Flight Mass Spectrometry Article · 24 Feb 2014
- On the origin of water-soluble organic tracer compounds in fine aerosols in two cities: the case of Los Angeles and Barcelona Article · 3 Jan 2014
- Chemometric modeling of organic contaminant sources in surface waters of a mediterranean river basin Article · 2014
- MULTIVARIATE CURVE RESOLUTION WITH ALTERNATING LEAST SQUARES: DESCRIPTION, OPERATION AND APLICATIONS Article · 2014
- Multivariate Curve Resolution of Hyphenated and Multidimensional Chromatographic Measurements: A New Insight to Address Current Chromatographic Challenges Article · 9 Dec 2013
- Multiway and multiset methods Article · Nov 2013
- Source apportionment of submicron organic aerosol at an urban background and a road site in Barcelona (Spain) during SAPUSS Article · 24 Oct 2013
- Presenting SAPUSS: Solving Aerosol Problem by Using Synergistic Strategies in Barcelona, Spain Article · 9 Sep 2013
- Integration of on-line and off-line methodologies for the assessment of river water quality Article · 1 Sep 2013
- 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 Article · Sep 2013
- Multivariate Curve Resolution of incomplete data multisets Article · Aug 2013
- Identification of Metabolic Pathways in Daphnia magna Explaining Hormetic Effects of Selective Serotonin Reuptake Inhibitors and 4-Nonylphenol Using Transcriptomic and Phenotypic Responses Article · 31 Jul 2013
- Simultaneous Anodic Stripping Voltammetric Determination of Pb and Cd, Using a Vibrating Gold Microwire Electrode, Assisted by Chemometric Techniques Article · 22 Jul 2013
- Sources, fluxes and risk of organic micropollutants to the Cantabrian Sea (Spain) Article · Jul 2013
- Chemometric Strategies To Unmix Information and Increase the Spatial Description of Hyperspectral Images: A Single-Cell Case Study Article · 11 Jun 2013
- Solving chromatographic challenges in comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry using multivariate curve resolution–alternating least squares Article · 6 Jun 2013
- Study of motor oil adulteration by infrared spectroscopy and chemometrics methods Article · Feb 2013
- Influence of minerals on the taste of bottled and tap water: A chemometric approach Article · Feb 2013
- Application of maximum likelihood multivariate curve resolution to noisy data sets Article · Jan 2013
- Application of Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) to remote sensing hyperspectral imaging Article · Jan 2013
- Report on a meeting on rotational ambiguity in soft‐modelling analyses Article · 25 Dec 2012
- Study of the photodegradation of 2-bromophenol under UV and sunlight by spectroscopic, chromatographic and chemometric techniques Article · Dec 2012
- Exploring in vivo violacein biosynthesis by application of multivariate curve resolution on fused UV–VIS absorption, fluorescence, and liquid chromatography–mass spectrometry data Article · 17 Nov 2012
- Organic micropollutants in coastal waters from NW Mediterranean Sea: Sources distribution and potential risk Article · Oct 2012
- Sensitivity Equation for Quantitative Analysis with Multivariate Curve Resolution-Alternating Least-Squares: Theoretical and Experimental Approach Article · 25 Sep 2012
- Relevant aspects of quantification and sample heterogeneity in hyperspectral image resolution Article · Aug 2012
- Comprehensive two-dimensional gas chromatography (GC × GC) retention time shift correction and modeling using bilinear peak alignment, correlation optimized shifting and multivariate curve resolution Article · Aug 2012
- Maximum Likelihood Principal Component Analysis as initial projection step in Multivariate Curve Resolution analysis of noisy data Article · Aug 2012
- Linear and non-linear chemometric modeling of THM formation in Barcelona's water treatment plant Article · Aug 2012
- Changes in lipid content and fatty acid composition along the reproductive cycle of the freshwater mussel Dreissena polymorpha: Its modulation by clofibrate exposure Article · Aug 2012
- Detection of Olive Oil Adulteration Using FT‐IR Spectroscopy and PLS with Variable Importance of Projection (VIP) Scores Article · 3 Jun 2012
- Chemometric evaluation of different experimental conditions on wheat (Triticum aestivum L.) development using liquid chromatography mass spectrometry (LC–MS) profiles of benzoxazinone derivatives Article · Jun 2012
- Foreword Article · Apr 2012
- Comprehensive data analysis of femtosecond transient absorption spectra: A review Article · Mar 2012
- Is independent component analysis appropriate for multivariate resolution in analytical chemistry? Article · Jan 2012
- A study of pH-dependent photodegradation of amiloride by a multivariate curve resolution approach to combined kinetic and acid–base titration UV data Article · 2012
- Chromatographic and spectroscopic data fusion analysis for interpretation of photodegradation processes Article · Dec 2011
- Resolution and Quantification of Complex Mixtures of Polycyclic Aromatic Hydrocarbons in Heavy Fuel Oil Sample by Means of GC × GC-TOFMS Combined to Multivariate Curve Resolution Article · 23 Nov 2011
- A Comparison of Positive Matrix Factorization and the Weighted Multivariate Curve Resolution Method. Application to Environmental Data Article · 9 Nov 2011
- Uniqueness and rotation ambiguities in Multivariate Curve Resolution methods Article · Oct 2011
- Resolution and segmentation of hyperspectral biomedical images by Multivariate Curve Resolution-Alternating Least Squares Article · Oct 2011
- Preface Article · Aug 2011
- Chemometric Analysis of Excitation Emission Matrices of Fluorescent Nanocomposites Article · 24 May 2011
- Background Correction and Multivariate Curve Resolution of Online Liquid Chromatography with Infrared Spectrometric Detection Article · 17 May 2011
- Investigation of the pH effect and UV radiation on kinetic degradation of anthocyanin mixtures extracted from Hibiscus acetosella Article · Apr 2011
- Foreword Article · Apr 2011
- Study of photodegradation kinetics of melatonin by multivariate curve resolution (MCR) with estimation of feasible band boundaries Article · 25 Mar 2011
- Determination of water supply sources in the Barcelona distribution system by UV spectrophotometry and PLS Article · 1 Mar 2011
- Multiway and multiset data analysis Article · Mar 2011
- Derivative FTIR spectroscopy for cluster analysis and classification of morocco olive oils Article · Feb 2011
- Comprehensive description of the photodegradation of bromophenols using chromatographic monitoring and chemometric tools Article · Jan 2011
- Trilinearity and component interaction constraints in the multivariate curve resolution investigation of NO and O3 pollution in Barcelona Article · 21 Dec 2010
- Investigation of the source composition and temporal distribution of volatile organic compounds (VOCs) in a suburban area of the northwest of Spain using chemometric methods Article · Dec 2010
- ‘OMICS’ special issue for Chemometrics and Intelligent Laboratory Systems Article · Nov 2010
- Impacts of metals and nutrients released from melting multiyear Arctic sea ice Article · Jul 2010
- Factorial analysis of the trihalomethane formation in the reaction of colloidal, hydrophobic, and transphilic fractions of DOM with free chlorine Article · 25 Apr 2010
- Identifying major pesticides affecting bivalve species exposed to agricultural pollution using multi-biomarker and multivariate methods Article · 6 Apr 2010
- Multivariate curve resolution applied to temperature-modulated metal oxide gas sensors Article · 4 Mar 2010
- Occurrence and transport of pesticides and alkylphenols in water samples along the Ebro River Basin Article · Mar 2010
- Occurrence and transport of PAHs, pesticides and alkylphenols in sediment samples along the Ebro River Basin Article · Mar 2010
- Kinetic studies of nitrofurazone photodegradation by multivariate curve resolution applied to UV-spectral data Article · 15 Feb 2010
- Stir bar sorptive extraction-thermal desorption-gas chromatography–mass spectrometry: An effective tool for determining persistent organic pollutants and nonylphenol in coastal waters in compliance with existing Directives Article · Jan 2010
- Surface-water-quality indices for the analysis of data generated by automated sampling networks Article · Jan 2010
- Multivariate curve resolution of organic pollution patterns in the Ebro River surface water–groundwater–sediment–soil system Article · Jan 2010
- Application of chemometric methods to environmental analysis of organic pollutants: A review Article · Jan 2010
- Quality assessment of river waters using risk indexes for substances and sites, based on the COMMPS procedure Article · 2010
- Chemometric Analysis and Mapping of Environmental Pollution Sources in the Ebro River Basin Book / chapter · 2010
- Application of the correlation constrained multivariate curve resolution alternating least-squares method for analyte quantitation in the presence of unexpected interferences using first-order instrumental data Article · 2010
- Comments on a recently published paper ‘some surprising properties of multivariate curve resolution‐alternating least squares (MCR‐ALS) algorithms’ Article · 30 Dec 2009
- Report of the meeting TRICAP 2009, ThRee-way methods In Chemistry And Psychology Article · Dec 2009
- Ultra-trace determination of Persistent Organic Pollutants in Arctic ice using stir bar sorptive extraction and gas chromatography coupled to mass spectrometry Article · Dec 2009
- Report of the TRICAP (Three‐way methods in Chemistry and Psychology) meeting, Vall de Núria, Spain, 14–19 June 2009 Article · 13 Nov 2009
- Comparison of the results obtained by four receptor modelling methods in aerosol source apportionment studies Article · Aug 2009
- Quality Assessment of the Multivariate Curve Resolution Alternating Least Squares Method for the Investigation of Environmental Pollution Patterns in Surface Water Article · 11 Jun 2009
- Distribution and assessment of surface water contamination by application of chemometric and deterministic models Article · May 2009
- Variation patterns of nitric oxide in Catalonia during the period from 2001 to 2006 using multivariate data analysis methods Article · May 2009
- Chemometrics description of measurement error structure: Study of an ultrafast absorption spectroscopy experiment Article · May 2009
- Standard addition analysis of fluoroquinolones in human serum in the presence of the interferent salicylate using lanthanide-sensitized excitation-time decay luminescence data and multivariate curve resolution Article · 15 Mar 2009
- Low-Resolution Structures of Transient Protein−Protein Complexes Using Small-Angle X-ray Scattering Article · 10 Mar 2009
- Calculation and Meaning of Feasible Band Boundaries in Multivariate Curve Resolution of a Two-Component System Article · 13 Feb 2009
- Multiset Data Analysis: Extended Multivariate Curve Resolution Book / chapter · 2009
- Two-Way Data Analysis: Multivariate Curve Resolution – Iterative Resolution Methods Book / chapter · 2009
- Two-Way Data Analysis: Multivariate Curve Resolution – Error in Curve Resolution Book / chapter · 2009
- Linear Soft-Modeling: Introduction Book / chapter · 2009
- Editors in Chief Book / chapter · 2009
- Comprehensive Chemometrics Other · 2009
- Preface Book / chapter · 2009
- A novel approach to the quantification of industrial mixtures from the Vinyl Acetate Monomer (VAM) process using Near Infrared spectroscopic data and a Quantitative Self Modeling Curve Resolution (SMCR) methodology Article · Nov 2008
- Assessment of the environmental and physiological processes determining the accumulation of organochlorine compounds in European mountain lake fish through multivariate analysis (PCA and PLS) Article · Oct 2008
- Impact of pesticides used in agriculture and vineyards to surface and groundwater quality (North Spain) Article · Jul 2008
- Photodegradation study of decabromodiphenyl ether by UV spectrophotometry and a hybrid hard- and soft-modelling approach Article · Jun 2008
- Combined use of Daphnia magna in situ bioassays, biomarkers and biological indices to diagnose and identify environmental pressures on invertebrate communities in two Mediterranean urbanized and industrialized rivers (NE Spain) Article · May 2008
- Use of local rank‐based spatial information for resolution of spectroscopic images Article · 12 Mar 2008
- Foreword Article · Mar 2008
- Application of multivariate curve resolution alternating least squares (MCR-ALS) to the quantitative analysis of pharmaceutical and agricultural samples Article · 15 Feb 2008
- Multivariate curve resolution of pH gradient flow injection mixture analysis with correction of the Schlieren effect Article · 2008
- Chapter Fiveteen Identification, Resolution and Apportionment of Contamination Sources Book / chapter · 2008
- Solution equilibria of the i-motif-forming region upstream of the B-cell lymphoma-2 P1 promoter Article · Dec 2007
- Chemometric modeling and prediction of trihalomethane formation in Barcelona's water works plant Article · Aug 2007
- Comparison of different multiway methods for the analysis of geographical metal distributions in fish, sediments and river waters in Catalonia Article · Aug 2007
- Application of non-linear optimization methods to the estimation of multivariate curve resolution solutions and of their feasible band boundaries in the investigation of two chemical and environmental simulated data sets Article · Jul 2007
- Alternative calibration approaches for LC–MS quantitative determination of coeluted compounds in complex environmental mixtures using multivariate curve resolution Article · Jul 2007
- Factor analysis of hyphenated chromatographic data Article · Jul 2007
- Comprehensive liquid chromatography–ion‐spray tandem mass spectrometry method for the identification and quantification of eight hydroxylated brominated diphenyl ethers in environmental matrices Article · 18 May 2007
- Foreword Article · Apr 2007
- Determination of phenolic acids in strawberry samples by means of fast liquid chromatography and multivariate curve resolution methods Article · 15 Mar 2007
- Use of chemometric and geostatistical methods to evaluate pesticide pollution in the irrigation and drainage channels of the Ebro river delta during the rice-growing season Article · 17 Jan 2007
- Temporal characterisation of river waters in urban and semi-urban areas using physico-chemical parameters and chemometric methods Article · Jan 2007
- Investigation of geographical and temporal distribution of tropospheric ozone in Catalonia (North-East Spain) during the period 2000–2004 using multivariate data analysis methods Article · Dec 2006
- Multivariate Curve Resolution (MCR) from 2000: Progress in Concepts and Applications Article · Dec 2006
- Multi-way analysis for investigation of industrial pectin using an analytical liquid dilution system Article · Dec 2006
- Chemometrics modelling of organic contaminants in fish and sediment river samples Article · Dec 2006
- Spectroscopic study of the interaction of actinomycin D with oligonucleotides carrying the central base sequences -XGCY- and -XGGCCY- using multivariate methods Article · 23 Nov 2006
- Multivariate Curve Resolution of Synchronous Fluorescence Spectra Matrices of Fulvic Acids Obtained as a Function of pH Article · Nov 2006
- Identification and distribution of contamination sources in the Ebro river basin by chemometrics modelling coupled to geographical information systems Article · Nov 2006
- Analysis of environmental samples by application of multivariate curve resolution on fused high-performance liquid chromatography–diode array detection mass spectrometry data Article · Oct 2006
- Multivariate curve resolution of multidimensional excitation–emission quenching matrices of a Laurentian soil fulvic acid Article · Sep 2006
- Comparison of PARAFAC2 and MCR-ALS for resolution of an analytical liquid dilution system Article · Jul 2006
- Monitoring and Modeling of Protein Processes Using Mass Spectrometry, Circular Dichroism, and Multivariate Curve Resolution Methods Article · 16 Jun 2006
- On rotational ambiguity in model‐free analyses of multivariate data Article · Jun 2006
- Chemometrical investigation of the presence and distribution of organochlorine and polyaromatic compounds in sediments of the Ebro River Basin Article · 4 May 2006
- Multivariate Curve Resolution Book / chapter · 16 Apr 2006
- Chemometric tools for classification and elucidation of protein secondary structure from infrared and circular dichroism spectroscopic measurements Article · 2 Feb 2006
- Band Boundaries of Feasible Solutions for Multivariate Curve Resolution-Alternating Least Squares Solutions Article · Feb 2006
- Foreword Article · Feb 2006
- Quality assessment of the results obtained by multivariate curve resolution analysis of multiple runs of gasoline blending processes Article · Jan 2006
- Solving liquid chromatography mass spectrometry coelution problems in the analysis of environmental samples by multivariate curve resolution Article · Nov 2005
- Application of multivariate curve resolution to the temperature-induced unfolding of α-chymotrypsin Article · Jul 2005
- Local rank analysis for exploratory spectroscopic image analysis. Fixed Size Image Window-Evolving Factor Analysis Article · May 2005
- Calculation of band boundaries of feasible solutions obtained by Multivariate Curve Resolution–Alternating Least Squares of multiple runs of a reaction monitored by NIR spectroscopy Article · Apr 2005
- Toxicity assays applied to wastewater treatment Article · 30 Jan 2005
- Application of the local regression method interval partial least-squares to the elucidation of protein secondary structure Article · Jan 2005
- Fast chromatography of complex biocide mixtures using diode array detection and multivariate curve resolution Article · Dec 2004
- Foreword Article · Dec 2004
- Chemometric modeling of main contamination sources in surface waters of Portugal Article · 1 Mar 2004
- Application of chemometric methods to the investigation of main microcontaminant sources of endocrine disruptors in coastal and harbour waters and sediments Article · 1 Feb 2004
- Synthesis, stability, and protonation studies of a self‐complementary dodecamer containing the modified nucleoside 2′‐deoxyzebularine Article · 3 Nov 2003
- Resolution of Parallel and Antiparallel Oligonucleotide Triple Helices Formation and Melting Processes by Multivariate Curve Resolution Article · Oct 2003
- Multivariate curve resolution: a powerful tool for the analysis of conformational transitions in nucleic acids Article · 1 Sep 2002
- Protonation Studies and Multivariate Curve Resolution on Oligodeoxynucleotides Carrying the Mutagenic Base 2-Aminopurine Article · Nov 2001
- Organic Pollutants in Surface Waters from Portugal Using Chemometric Interpretation Article · Sep 2001
- Main findings and conclusions of the implementation of Directive 76/464/CEE concerning the monitoring of organic pollutants in surface waters (Portugal, April 1999–May 2000) Article · 2001
- Multivariate Correlation between Concentrations of Selected Herbicides and Derivatives in Outflows from Selected U.S. Midwestern Reservoirs Article · 8 Jul 2000
- Resolution and quantitative determination of coeluted pesticide mixtures in liquid chromatography–thermospray mass spectrometry by multivariate curve resolution Article · Jan 1998
- Input Characterization of Sedimentary Organic Contaminants and Molecular Markers in the Northwestern Mediterranean Sea by Exploratory Data Analysis Article · 26 Nov 1997
- Degradation study of benomyl and carbendazim in water by liquid chromatography and multivariate curve resolution methods Article · Oct 1997
- Application of multivariate self-modeling curve resolution to the quantitation of trace levels of organophosphorus pesticides in natural waters from interlaboratory studies Article · Apr 1996
- Determination of traces of herbicide mixtures in water by on-line solid-phase extraction followed by liquid chromatography with diode-array detection and multivariate self-modelling curve resolution Article · Apr 1995
- Multivariate curve resolution applied to liquid chromatography—diode array detection Article · Jan 1993
- Deconvolution and quantitation of unresolved mixtures in liquid chromatographic-diode array detection using evolving factor analysis Article · Mar 1992
