Joaquim Jaumot
Biography
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Researcher in analytical and computational chemistry with a background in Chemistry, Computer Science, and a PhD in Chemistry. Developed a multidisciplinary career applying multivariate data analysis methods—especially multivariate curve resolution—to fields such as molecular biology, environmental chemistry, and toxicology. Contributions include widely cited software tools, international collaborations, and participation in 18 research projects, several as principal investigator. Author of 78 articles and 6 book chapters. Actively supervises PhD students and participates in teaching, outreach, and scientific evaluation. In 2018, received the international *Chemometrics and Intelligent Laboratory Systems Award* recognizing outstanding researchers under forty in chemometrics. |
Profile
| Institution | IDAEA |
| Position | Tenured Scientist |
| Home page | https://www.linkedin.com/in/joaquim-jaumot-88429275/ |
| Contact email | joaquim.jaumot@idaea.csic.es |
| ORCID | 0000-0003-1461-3273 |
BCB Hub
| BCB Committee | Expertise mapping |
| BCB Tools | MCR-ALS 2.0 toolbox |
| BCB Services |
Research
Research topics
OmicsData AnalysisArtificial IntelligenceData VisualizationStatistical Methods for BiologyMetabolomicsMultivariate statisticsImage analysisText miningLipidomics
Research lines
Projects, networks, transfer & teaching
Publications 82 entries
- Short-term tributyltin exposure initiates lipid-centered molecular programs linked to early neurotoxicity in zebrafish Article · Nov 2026
- Comprehensive non-targeted LC×LC-HRMS lipidomics workflow with active solvent modulation for the characterization of endocrine disruptor effects in zebrafish eleutheroembryos Article · Oct 2026
- Neurotoxic Effects of Aromatic Organophosphate Flame Retardants Revealed by Lipidomic Analysis in Human Brain Organoids Article · 25 Jun 2026
- Tissue-Specific Lipidomic Alterations in Carrot Plants Following Sublethal Exposure to a Glyphosate-Based Herbicide Article · 13 May 2026
- Deciphering Pesticide Stress Responses in Rice Through Integrated Multi-Omic Assessment Article · 28 Feb 2026
View all (77 more)
- Unraveling Tributyltin Early Toxicity in Zebrafish Embryos via Lipidomic-Guided Multi-Omics Preprint · 2026
- Spatially resolved lipid disruption induced in Daphnia magna by environmentally relevant exposure to obesogens tributyltin and pyriproxyfen Article · Oct 2025
- Comprehensive MSI-based protocols for the spatial lipidomics characterization of microscale organisms Article · Oct 2025
- Coupling electrochemical and spectroscopic methods for river water dissolved organic matter characterization Article · 1 Sep 2025
- Mapping shared and unique features in spatial transcriptomics through multivariate curve resolution Article · May 2025
- Toxicity Assessment of Organophosphate Flame Retardants Using New Approach Methodologies Article · 11 Apr 2025
- Advancing environmental toxicology: The role of mass spectrometry imaging Article · Mar 2025
- Metabolomic and sphingolipidomic profiling of human hepatoma cells exposed to widely used pharmaceuticals Article · Oct 2024
- Cohort-based strategies as an in-house tool to evaluate and improve phenotyping robustness of LC–MS/MS lipidomics platforms Article · 28 Jun 2024
- MSident: Straightforward identification of chemical compounds from MS-resolved spectra Article · Feb 2024
- Effects of Indoor Dust Exposure on Lung Cells: Association of Chemical Composition with Phenotypic and Lipid Changes in a 3D Lung Cancer Cell Model Article · 30 Nov 2023
- A novel multivariate curve resolution based strategy for multi-omic integration of toxicological data Article · Nov 2023
- Quantification strategies for two-dimensional liquid chromatography datasets using regions of interest and multivariate curve resolution approaches Article · Sep 2022
- Comparison of Multivariate ANOVA-Based Approaches for the Determination of Relevant Variables in Experimentally Designed Metabolomic Studies Article · 20 May 2022
- Adverse Effects of Arsenic Uptake in Rice Metabolome and Lipidome Revealed by Untargeted Liquid Chromatography Coupled to Mass Spectrometry (LC-MS) and Regions of Interest Multivariate Curve Resolution Article · 18 Mar 2022
- Lipidomic analysis of single and combined effects of polyethylene microplastics and polychlorinated biphenyls on human hepatoma cells Article · Jan 2022
- MSroi: A pre-processing tool for mass spectrometry-based studies Article · Aug 2021
- Introduction to Data Analysis in Omics Sciences Book / chapter · 2021
- Two-dimensional liquid chromatography in metabolomics and lipidomics Book / chapter · 1 Nov 2020
- Interaction of environmental pollutants with microplastics: A critical review of sorption factors, bioaccumulation and ecotoxicological effects Article · 2 Jun 2020
- Chemometrics in comprehensive two-dimensional liquid chromatography: A study of the data structure and its multilinear behavior Article · Jun 2020
- 4.15 - Mass Spectrometry Imaging: Chemometric Data Analysis Book / chapter · 2020
- Partial characterization of the lipidome of the cold-water scallop, Chlamys islandica Article · 20 Nov 2019
- Addendum: Vibrational spectroscopic image analysis of biological material using multivariate curve resolution–alternating least squares (MCR-ALS) Article · 5 Jun 2019
- ROIMCR: A powerful analysis strategy for LC-MS metabolomic datasets Article · 17 May 2019
- Untargeted lipidomic evaluation of hydric and heat stresses on rice growth Article · Jan 2019
- Identification of antihypertensive peptides in nutraceuticals by capillary electrophoresis-mass spectrometry Article · Dec 2018
- Assessment of endocrine disruptors effects on zebrafish (Danio rerio) embryos by untargeted LC-HRMS metabolomic analysis Article · Sep 2018
- An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis Article · Sep 2018
- Chemometric Strategies for Peak Detection and Profiling from Multidimensional Chromatography Article · 15 May 2018
- A chemometric approach for characterization of serum transthyretin in familial amyloidotic polyneuropathy type I (FAP-I) by electrospray ionization-ion mobility mass spectrometry Article · May 2018
- Preface Book / chapter · 2018
- Metabolic disruption of zebrafish (Danio rerio) embryos by bisphenol A. An integrated metabolomic and transcriptomic approach Article · Dec 2017
- Analysis of multiple mass spectrometry images from different Phaseolus vulgaris samples by multivariate curve resolution Article · Dec 2017
- Modelling of hydrophilic interaction liquid chromatography stationary phases using chemometric approaches Article · 24 Oct 2017
- Untargeted Comprehensive Two-Dimensional Liquid Chromatography Coupled with High-Resolution Mass Spectrometry Analysis of Rice Metabolome Using Multivariate Curve Resolution Article · 7 Jul 2017
- Knowledge integration strategies for untargeted metabolomics based on MCR-ALS analysis of CE-MS and LC-MS data Article · Jul 2017
- Corrigendum: The human mitochondrial transcription factor A is a versatile G-quadruplex binding protein (Scientific Reports (2017) 7 (43992) DOI: 10.1038/srep43992) Article · 6 Apr 2017
- The human mitochondrial transcription factor A is a versatile G-quadruplex binding protein Article · 9 Mar 2017
- 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 Article · 2017
- Chemometric evaluation of hydrophilic interaction liquid chromatography stationary phases: Resolving complex mixtures of metabolites Article · 2017
- Chemometric analysis of comprehensive LC×LC-MS data: Resolution of triacylglycerol structural isomers in corn oil Article · Nov 2016
- Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow Article · Sep 2016
- Compression strategies for the chemometric analysis of mass spectrometry imaging data Article · 9 Aug 2016
- Metabolic profiling for the identification of Huntington biomarkers by on-line solid-phase extraction capillary electrophoresis mass spectrometry combined with advanced data analysis tools Article · 8 Feb 2016
- Epithelial-to-mesenchymal transition involves triacylglycerol accumulation in DU145 prostate cancer cells Article · 8 Oct 2015
- Evaluation of changes induced in rice metabolome by Cd and Cu exposure using LC-MS with XCMS and MCR-ALS data analysis strategies Article · 24 Sep 2015
- Phenotypic malignant changes and untargeted lipidomic analysis of long-term exposed prostate cancer cells to endocrine disruptors Article · Jul 2015
- Lipidomic data analysis: Tutorial, practical guidelines and applications Article · Jul 2015
- Combination of CE-MS and advanced chemometric methods for high-throughput metabolic profiling Article · 15 May 2015
- qRT-PCR evaluation of the transcriptional response of zebra mussel to heavy metals Article · 6 May 2015
- MCR-ALS GUI 2.0: New features and applications Software · Jan 2015
- Potential use of multivariate curve resolution for the analysis of mass spectrometry images Article · 2015
- Modeling strategies for pharmaceutical blend monitoring and end-point determination by near-infrared spectroscopy Article · Oct 2014
- Solution equilibria of cytosine- and guanine-rich sequences near the promoter region of the n-myc gene that contain stable hairpins within lateral loops Article · Jan 2014
- Multivariate Curve Resolution (MCR). Solving the mixture analysis problem Article · 2014
- Blending process modeling and control by multivariate curve resolution Article · Dec 2013
- Porphyrin binding mechanism is altered by protonation at the loops in G-quadruplex DNA formed near the transcriptional activation site of the human c-kit gene Article · Dec 2012
- Combination of chromatographic and chemometric methods to study the interactions between DNA strands Article · Apr 2012
- Experimental methods for studying the interactions between G-quadruplex structures and ligands Article · 1 Mar 2012
- MCRC software: A tool for chemometric analysis of two-way chromatographic data Article · Dec 2010
- Application of multivariate curve resolution to the analysis of yeast genome-wide screens Article · Nov 2010
- Chemical equilibria studies using multivariate analysis methods Article · 28 Oct 2010
- MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution Article · Oct 2010
- PH-modulated Watson-Crick duplex-quadruplex equilibria of guanine-rich and cytosine-rich DNA sequences 140 base pairs upstream of the c-kit transcription initiation site Article · 18 Nov 2009
- Targeting the G-quadruplex-forming region near the P1 promoter in the human BCL-2 gene with the cationic porphyrin TMPyP4 and with the complementary C-rich strand Article · Jul 2009
- Classification of nucleic acids structures by means of the chemometric analysis of circular dichroism spectra Article · May 2009
- Study of the interaction between the G-quadruplex-forming thrombin-binding aptamer and the porphyrin 5,10,15,20-tetrakis-(N-methyl-4-pyridyl)-21,23H-porphyrin tetratosylate Article · Aug 2008
- Exploratory data analysis of DNA microarrays by multivariate curve resolution Article · Nov 2006
- Resolution of a structural competition involving dimeric G-quadruplex and its C-rich complementary strand Article · 8 Jan 2006
- A graphical user-friendly interface for MCR-ALS: A new tool for multivariate curve resolution in MATLAB Article · Mar 2005
- Non-negativity constraints for elimination of multiple solutions in fitting of multivariate kinetic models to spectroscopic data Article · Feb 2005
- Multivariate curve resolution applied to the analysis and resolution of two-dimensional [1H,15N] NMR reaction spectra Article · 23 Oct 2004
- Noise propagation and error estimations in multivariate curve resolution alternating least squares using resampling methods Article · Jul 2004
- Application of multivariate resolution methods to the study of biochemical and biophysical processes Article · Apr 2004
- Indications towards a stereoselectivity of the salt-induced peptide formation reaction Article · Feb 2004
- Multivariate resolution of NMR labile signals by means of hard- and soft-modelling methods Article · Aug 2003