Toward Automated Preprocessing of Untargeted LC-MS-Based Metabolomics Feature Lists from Human Biofluids

A Hughes, P Vangeenderhuysen… - Analytical …, 2025 - ACS Publications
Maximizing the extraction of true, high-quality, nonredundant features from biofluids
analyzed via LC-MS systems is challenging. Here, the R packages IPO and AutoTuner were …

Metabolites reflect variability introduced by mesoscale eddies in the North Pacific Subtropical Gyre

W Kumler, W Qin, RA Lundeen, B Barone… - Frontiers in Marine …, 2024 - frontiersin.org
Mesoscale eddies significantly alter open ocean environments such as those found in the
subtropical gyres that cover a large fraction of the global ocean. Previous studies have …

DuReS: An R package for denoising experimental tandem mass spectrometry-based metabolomics data

S Banerjee, P Nakrani, A Singh, P Wangikar - bioRxiv, 2024 - biorxiv.org
Mass spectrometry-based untargeted metabolomics is a powerful technique for profiling
small molecules in biological samples, yet accurate metabolite identification remains …