Madeleine Ernst

This study shows that reduced BRD1 function in minipigs leads to coordinated neurodevelopmental and metabolic changes in both brain and peripheral tissues.

The paper identifies psychometric archetypes in young adults that correlate with biological markers of mental health vulnerability and resilience, improving predictive models for clinical outcomes.

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

The paper introduces Qemistree, a method for analyzing metabolomics mass spectrometry data using hierarchical molecular fingerprints and chemical ontologies to explore chemical composition.

The paper develops a machine learning workflow for auto-deconvolution of GC-MS data within GNPS, enabling molecular networking and applications in breathomics and volatilome mapping.

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.

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

The paper provides efficient implementations of the Chemical Structural and Compositional Similarity metric in R and Python, significantly improving speed and usability for metabolomics analysis.

This paper introduces methods to improve metabolite annotation using substructure discovery and machine learning, along with a database for shared motifs.

This paper uses untargeted mass spectrometry to analyze chemical changes in foods during preparation and storage, finding that some processes alter molecular composition while others primarily involve extraction.

The study examines how geographic separation influenced chemical diversity in Euphorbia, finding reduced diterpenoid diversity in American species compared to Eurasian and African ones, suggesting adaptation to herbivory pressure.