Wilhan Donizete Gonçalves Nunes

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.

The paper identifies metabolomic signatures associated with physical resilience trajectories from middle to older age using long-term serum data.

Polyethylene glycol in human biofluids can mark drug exposure rather than contamination; it is oxidized to acid metabolites and appears in 2.3% of public metabolomics files.

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

The paper systematically extracts and catalogs acylcarnitine metabolites from multiple repositories, identifying previously unknown carnitines and providing a resource for further metabolic research.

This study maps conjugated metabolites by analyzing MS/MS spectra from public repositories, identifying potential conjugation events and providing a resource for structural discovery.

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 creates a spectral library of N-acyl lipids from metabolomics data, identifies novel compounds, and links them to health conditions like HIV and cognitive impairment.