Benchmarking Outlier Detection Methods for Detecting IEM Patients in Untargeted Metabolomics Data
Metabolites, 2023 Untargeted metabolomics (UM) is increasingly being deployed as a strategy for screening patients that are suspected of having an inborn error of metabolism (IEM).
Michiel Bongaerts +9 more
doaj +1 more source
Plants, 2021 Metabolomics is a useful tool for comparing metabolite changes in plants. Because of its high sensitivity, metabolomics combined with high-resolution mass spectrometry (HR-MS) is the most widely accepted metabolomics tools. In this study, we compared the
Mira Oh +4 more
doaj +1 more source
Current Practice in Untargeted Human Milk Metabolomics [PDF]
Metabolites, 2020 Human milk (HM) is considered the gold standard for infant nutrition. HM contains macro- and micronutrients, as well as a range of bioactive compounds (hormones, growth factors, cell debris, etc.). The analysis of the complex and dynamic composition of HM has been a permanent challenge for researchers.
Isabel Ten-Doménech +7 more
openaire +5 more sources
Spatially resolved sampling of the human oral cavity for metabolic profiling
STAR Protocols, 2021 Summary: Here, we present a spatially resolved sampling protocol for the oral human cavity aimed at untargeted metabolomics. We describe the spatial collection of salivary biospecimens, their preparation, and subsequent mass-spectrometry-based untargeted
Alessio Ciurli +5 more
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Promises and pitfalls of untargeted metabolomics [PDF]
Journal of Inherited Metabolic Disease, 2018 AbstractMetabolomics is one of the newer omics fields, and has enabled researchers to complement genomic and protein level analysis of disease with both semi‐quantitative and quantitative metabolite levels, which are the chemical mediators that constitute a given phenotype.
Ilya Gertsman, Bruce A. Barshop
openaire +2 more sources
Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics. [PDF]
, 2018 The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured elucidation approaches and software that are designed to help during the annotation of unknown compounds.
Blaženović, Ivana +3 more
core +6 more sources
Metabolites, 2023 Untargeted and targeted approaches are the traditional metabolomics workflows acquired for a wider understanding of the metabolome under focus. Both approaches have their strengths and weaknesses.
Bashar Amer +2 more
doaj +1 more source
Metabolomics-based biomarker discovery for bee health monitoring : a proof of concept study concerning nutritional stress in Bombus terrestris [PDF]
, 2019 Bee pollinators are exposed to multiple natural and anthropogenic stressors. Understanding the effects of a single stressor in the complex environmental context of antagonistic/synergistic interactions is critical to pollinator monitoring and may serve ...
Meeus, Ivan +5 more
core +2 more sources
Plasticizer degradation by marine bacterial isolates : a proteogenomic and metabolomic characterization [PDF]
, 2020 Many commercial plasticizers are toxic endocrine-disrupting chemicals that are added to plastics during manufacturing and may leach out once they reach the environment.
Bosch, Rafael +3 more
core +3 more sources
Optimized Analytical Procedures for the Untargeted Metabolomic Profiling of Human Urine and Plasma by Combining Hydrophilic Interaction (HILIC) and Reverse-Phase Liquid Chromatography (RPLC)-Mass Spectrometry. [PDF]
, 2015 Profiling of body fluids is crucial for monitoring and discovering metabolic markers of health and disease and for providing insights into human physiology.
Contrepois, Kévin +2 more
core +1 more source