Andrés Mauricio Caraballo‐Rodríguez

The paper identifies genomic features of domoic acid biosynthesis in Pseudo-nitzschia diatoms, revealing expanded toxigenic diversity and environmental expression patterns.

The paper expands a bile acid and steroidal MS/MS spectral library across three repositories, capturing diverse structures and providing a resource for classifying unknown spectra.

This study shows that caddisfly gut microbiomes help decompose non-local plant litter, while dietary plant secondary metabolites inhibit consumption regardless of microbiome state.

This study examines metabolome variation in threespine stickleback across populations, showing both genetic and environmental influences on liver metabolites.

The paper identifies alkamines as a previously hidden class of metabolites formed via reductive amination, revealing significant gaps in metabolomics and drug metabolism understanding.

This study examines metabolomic diversity in Amazonian Pseudonocardia bacteria, showing that ecological interactions and local adaptation drive chemical variation rather than phylogeny.

The paper introduces microbiomeMASST, a metadata network graph linking metabolites across datasets, enabling cross-study analysis of microbial metabolites and their biological context.

The paper introduces a collaborative platform for curating microbial metabolite knowledge to enhance metabolomics data interpretation.

The paper uses synthetic multiplexing to annotate uncharacterized metabolites, identifying ibuprofen-carnitine as a metabolite linked to muscle toxicity.

The paper shows that sea urchin eggs incorporate plastid components, which enhance offspring developmental fitness and survival by influencing phytohormone regulation and lipid use.

The paper presents a multi-organ metabolomics atlas in AD mouse models, identifying dysregulated metabolites and microbiome associations linked to oxidative stress and cognitive impairment.

The paper assesses how common storage conditions and additives affect urinary metabolite profiles, finding minimal impact from storage but significant changes from a DNA-stabilizer.

The paper develops a drug exposure resource from untargeted metabolomics data to identify medications without clinical records.

The paper curates LC-MS/MS data from plant extracts to create a taxonomically focused database for exploring plant-derived molecules.

The paper creates a suspect spectral library for untargeted metabolomics by propagating annotations from public MS/MS spectra to improve interpretation of unannotated spectra.

The paper introduces Ion Identity Molecular Networking to connect ion species of the same molecule, improving network connectivity and annotation.

The paper maps chemical modifications in an ant fungus garden as plant material passes through, revealing its role in nutrient uptake.

The paper introduces FBMN, a method for improving molecular networking by enhancing quantitative analysis and isomer distinction using feature detection and alignment tools in the GNPS platform.

The paper develops ReDU, a tool for discovering and re-analyzing metabolomics data in GNPS, following FAIR principles.

The paper describes a workflow for creating MS/MS reference spectra in the GNPS infrastructure, achieving 99.2% accurate annotation of chemical standards.

MASST enables querying of public small-molecule tandem MS data to discover molecular relationships in metabolomics and natural product datasets.