Metabolic abnormalities lead to the dysfunction of metabolic pathways and metabolite
accumulation or deficiency which is well-recognized hallmarks of diseases. Metabolite …

Mass spectrometry-based metabolomics approaches can enable detection and
quantification of many thousands of metabolite features simultaneously. However …

Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but,
typically, only a small fraction of spectra can be matched. Previous in silico methods search …

Background: Global or untargeted metabolomics is widely used to comprehensively
investigate metabolic profiles under various pathophysiological conditions such as …

The metabolome includes not just known but also unknown metabolites; however,
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …

Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …

Metabolism during pregnancy is a dynamic and precisely programmed process, the failure
of which can bring devastating consequences to the mother and fetus. To define a high …

Spectral similarity is used as a proxy for structural similarity in many tandem mass
spectrometry (MS/MS) based metabolomics analyses such as library matching and …

Spatial metabolomics is an emerging field of omics research that has enabled localizing
small molecules in tissues and cells. Mass spectrometry imaging (MSI) technologies allow …

The massive use and the persistence of per-and polyfluoroalkyl substances (PFAS) have led
to their frequent detection in aquatic environments, which may further threaten drinking …