Dionicio Siegel

Synthesis-driven reverse metabolomics reveals 3-hydroxy N-acyl amides as gut microbial molecules

The paper synthesizes 3-hydroxy N-acyl amides and uses reverse metabolomics to identify their presence in biological samples and link them to microbial production and metabolic disease.

Alkamines reveal a hidden layer of steroid and drug metabolism

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

Pan-Metabolomics Repository Mapping of the Carnitine Landscape

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

Pan-repository analysis reveals a drug-activating function of microbial bile acid conjugation

The paper identifies microbial bile acid conjugation as a drug-activating function for 5-ASA, revealing its therapeutic relevance through metabolomics analysis.

Navigating the conjugated metabolome

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

A searchable metadata network graph for microbiome metabolomics

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