orcid publication

Noise propagation and error estimations in multivariate curve resolution alternating least squares using resampling methods

orcid publication

Indications towards a stereoselectivity of the salt-induced peptide formation reaction

orcid publication

Application of multivariate resolution methods to the study of biochemical and biophysical processes

orcid publication

Non-negativity constraints for elimination of multiple solutions in fitting of multivariate kinetic models to spectroscopic data

orcid publication

Multivariate curve resolution applied to the analysis and resolution of two-dimensional [¹H,¹⁵N] NMR reaction spectra

orcid publication

A graphical user-friendly interface for MCR-ALS: A new tool for multivariate curve resolution in MATLAB

orcid publication

Resolution of a structural competition involving dimeric G-quadruplex and its C-rich complementary strand

orcid publication

Exploratory data analysis of DNA microarrays by multivariate curve resolution

orcid publication

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

orcid publication

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

orcid publication

Classification of nucleic acids structures by means of the chemometric analysis of circular dichroism spectra

orcid publication

MCRC software: A tool for chemometric analysis of two-way chromatographic data

orcid publication

MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution

orcid publication

Application of multivariate curve resolution to the analysis of yeast genome-wide screens

orcid publication

Chemical equilibria studies using multivariate analysis methods

orcid publication

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

orcid publication

Experimental methods for studying the interactions between G-quadruplex structures and ligands

orcid publication

Combination of chromatographic and chemometric methods to study the interactions between DNA strands

orcid publication

Blending process modeling and control by multivariate curve resolution

orcid publication

Solution equilibria of cytosine- and guanine-rich sequences near the promoter region of the n-myc gene that contain stable hairpins within lateral loops

orcid publication

Multivariate Curve Resolution (MCR). Solving the mixture analysis problem

orcid publication

Modeling strategies for pharmaceutical blend monitoring and end-point determination by near-infrared spectroscopy

orcid publication

qRT-PCR evaluation of the transcriptional response of zebra mussel to heavy metals

orcid publication

Vibrational spectroscopic image analysis of biological material using multivariate curve resolution-alternating least squares (MCR-ALS)

orcid publication

Potential use of multivariate curve resolution for the analysis of mass spectrometry images

orcid publication

Phenotypic malignant changes and untargeted lipidomic analysis of long-term exposed prostate cancer cells to endocrine disruptors

orcid publication

MCR-ALS GUI 2.0: New features and applications

orcid publication

Lipidomic data analysis: Tutorial, practical guidelines and applications

orcid publication

Evaluation of changes induced in rice metabolome by Cd and Cu exposure using LC-MS with XCMS and MCR-ALS data analysis strategies

orcid publication

Epithelial-to-mesenchymal transition involves triacylglycerol accumulation in DU145 prostate cancer cells

orcid publication

Combination of CE-MS and advanced chemometric methods for high-throughput metabolic profiling

orcid publication

Metabolic profiling for the identification of Huntington biomarkers by on-line solid-phase extraction capillary electrophoresis mass spectrometry combined with advanced data analysis tools

orcid publication

Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

orcid publication

Compression strategies for the chemometric analysis of mass spectrometry imaging data

orcid publication

Chemometric analysis of comprehensive LC×LC-MS data: Resolution of triacylglycerol structural isomers in corn oil

orcid publication

Untargeted Comprehensive Two-Dimensional Liquid Chromatography Coupled with High-Resolution Mass Spectrometry Analysis of Rice Metabolome Using Multivariate Curve Resolution

orcid publication

The human mitochondrial transcription factor A is a versatile G-quadruplex binding protein

orcid publication

Modelling of hydrophilic interaction liquid chromatography stationary phases using chemometric approaches

orcid publication

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

orcid publication

Metabolic disruption of zebrafish (Danio rerio) embryos by bisphenol A. An integrated metabolomic and transcriptomic approach

orcid publication

Knowledge integration strategies for untargeted metabolomics based on MCR-ALS analysis of CE-MS and LC-MS data

orcid publication

Corrigendum: The human mitochondrial transcription factor A is a versatile G-quadruplex binding protein (Scientific Reports (2017) 7 (43992) DOI: 10.1038/srep43992)

orcid publication

Chemometric evaluation of hydrophilic interaction liquid chromatography stationary phases: Resolving complex mixtures of metabolites

orcid publication

Analysis of multiple mass spectrometry images from different Phaseolus vulgaris samples by multivariate curve resolution

orcid publication

Identification of antihypertensive peptides in nutraceuticals by capillary electrophoresis-mass spectrometry

orcid publication

Chemometric Strategies for Peak Detection and Profiling from Multidimensional Chromatography

orcid publication

Assessment of endocrine disruptors effects on zebrafish (Danio rerio) embryos by untargeted LC-HRMS metabolomic analysis

orcid publication

An untargeted lipidomic strategy combining comprehensive two-dimensional liquid chromatography and chemometric analysis

orcid publication

A chemometric approach for characterization of serum transthyretin in familial amyloidotic polyneuropathy type I (FAP-I) by electrospray ionization-ion mobility mass spectrometry

orcid publication

Untargeted lipidomic evaluation of hydric and heat stresses on rice growth

orcid publication

ROIMCR: A powerful analysis strategy for LC-MS metabolomic datasets

orcid publication

Addendum: Vibrational spectroscopic image analysis of biological material using multivariate curve resolution–alternating least squares (MCR-ALS)

orcid publication

Partial characterization of the lipidome of the cold-water scallop, Chlamys islandica

orcid publication

Introduction to Data Analysis in Omics Sciences

orcid publication

Interaction of environmental pollutants with microplastics: A critical review of sorption factors, bioaccumulation and ecotoxicological effects

orcid publication

Chemometrics in comprehensive two-dimensional liquid chromatography: A study of the data structure and its multilinear behavior

orcid publication

Quantification Strategies for Two-Dimensional Liquid Chromatography Datasets Using Regions of Interest and Multivariate Curve Resolution Approaches

orcid publication

4.15 - Mass Spectrometry Imaging: Chemometric Data Analysis

orcid publication

Untangling comprehensive two-dimensional liquid chromatography data sets using regions of interest and multivariate curve resolution approaches

orcid publication

Two-dimensional liquid chromatography in metabolomics and lipidomics

orcid publication

MSroi: A pre-processing tool for mass spectrometry-based studies

orcid publication

Lipidomic analysis of single and combined effects of polyethylene microplastics and polychlorinated biphenyls on human hepatoma cells

orcid publication

Comparison of Multivariate ANOVA-Based Approaches for the Determination of Relevant Variables in Experimentally Designed Metabolomic Studies

orcid publication

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

orcid publication

Effects of Indoor Dust Exposure on Lung Cells: Association of Chemical Composition with Phenotypic and Lipid Changes in a 3D Lung Cancer Cell Model

orcid publication

A novel multivariate curve resolution based strategy for multi-omic integration of toxicological data

orcid publication

MSident: Straightforward identification of chemical compounds from MS-resolved spectra

orcid publication

Cohort-based strategies as an in-house tool to evaluate and improve phenotyping robustness of LC–MS/MS lipidomics platforms

orcid publication

Metabolomic and sphingolipidomic profiling of human hepatoma cells exposed to widely used pharmaceuticals

orcid publication

Advancing environmental toxicology: The role of mass spectrometry imaging

orcid publication

Toxicity Assessment of Organophosphate Flame Retardants Using New Approach Methodologies

orcid publication

Mapping shared and unique features in spatial transcriptomics through multivariate curve resolution

acf-field

Tools

su_tools

orcid publication

Metabolic flux analysis of the hydrogen production potential in Synechocystis sp. PCC6803

orcid publication

Reconstruction and analysis of genome-scale metabolic model of a photosynthetic bacterium

orcid publication

Microbial diversity in the midguts of field and lab-reared populations of the European Corn Borer Ostrinia nubilalis

orcid publication

Flux coupling and transcriptional regulation within the metabolic network of the photosynthetic bacterium Synechocystis sp PCC6803

orcid publication

Synechocystis sp. PCC6803 metabolic models for the enhanced production of hydrogen

orcid publication

Aequorin-expressing yeast emits light under electric control

orcid publication

Experimental and Modeling Analysis of Synechocystis sp. PCC 6803 Growth

orcid publication

Conceptual and computational framework for logical modelling of biological networks deregulated in diseases

orcid publication

Construction of a chassis for hydrogen production: physiological and molecular characterization of a Synechocystis sp PCC 6803 mutant lacking a functional bidirectional hydrogenase

orcid publication

Automation on the generation of genome-scale metabolic models

orcid publication

New approach for phylogenetic tree recovery based on genome-scale metabolic networks

orcid publication

Generation and Evaluation of a Genome-Scale Metabolic Network Model of Synechococcus elongatus PCC7942.

orcid publication

Improving a Synechocystis-based photoautotrophic chassis through systematic genome mapping and validation of neutral sites

orcid publication

Aberrant ERBB4-SRC Signaling as a Hallmark of Group 4 Medulloblastoma Revealed by Integrative Phosphoproteomic Profiling

orcid publication

Personalization of Logical Models With Multi-Omics Data Allows Clinical Stratification of Patients

orcid publication

PhysiBoSS: a multi-scale agent-based modelling framework integrating physical dimension and cell signalling

orcid publication

Large scale evaluation of differences between network-based and pairwise sequence-alignment-based methods of dendrogram reconstruction

orcid publication

INforE: Interactive Cross-platform Analytics for Everyone

orcid publication

BioFVM-X: An MPI+OpenMP 3-D Simulator for Biological Systems

orcid publication

Systems biology at the giga-scale: Large multiscale models of complex, heterogeneous multicellular systems

orcid publication

Optimizing Dosage-Specific Treatments in a Multi-Scale Model of a Tumor Growth

orcid publication

PhysiBoSS 2.0: a sustainable integration of stochastic Boolean and agent-based modelling frameworks

orcid publication

Patient-specific Boolean models of signalling networks guide personalised treatments

orcid publication

Parallel model exploration for tumor treatment simulations

orcid publication

Multiscale model of the different modes of cancer cell invasion

project

SysBioHPC. Scaling-up System Biology modelling tools to High-Performance Computing

Systems biology (SB) has proven its usefulness in projects since it can include vast amounts...

orcid publication

Mobility of the Native Bacillus subtilis Conjugative Plasmid pLS20 Is Regulated by Intercellular Signaling