Benchmarking Outlier Detection Methods for Detecting IEM Patients in Untargeted Metabolomics Data [PDF]
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 +2 more sources
Challenges in ESI-MS-based Untargeted Metabolomics [PDF]
CHIMIA, 2022 Untargeted metabolomics is now widely recognized as a useful tool for exploring metabolic changes taking place in biological systems under different conditions.
Serge Rudaz +6 more
doaj +3 more sources
Inborn Errors of Metabolism in the Era of Untargeted Metabolomics and Lipidomics [PDF]
Metabolites, 2019 Inborn errors of metabolism (IEMs) are a group of inherited diseases with variable incidences. IEMs are caused by disrupting enzyme activities in specific metabolic pathways by genetic mutations, either directly or indirectly by cofactor deficiencies ...
Israa T Ismail +2 more
doaj +3 more sources
Data Processing Optimization in Untargeted Metabolomics of Urine Using Voigt Lineshape Model Non-Linear Regression Analysis [PDF]
Metabolites, 2021 Nuclear magnetic resonance (NMR) spectroscopy is well-established to address questions in large-scale untargeted metabolomics. Although several approaches in data processing and analysis are available, significant issues remain. NMR spectroscopy of urine
Kristina E. Haslauer +2 more
doaj +2 more sources
Untargeted metabolomics based prediction of therapeutic potential for apigenin and chrysin [PDF]
, 2022 Flavonoids belong to the polyphenol superfamily and present in our foods derived from natural sources including fruits and vegetables. Apigenin and Chrysin, prominent flavonoids have been demonstrated to have systemic benefits.
Angela, Leontyev +7 more
core +1 more source
Seminal plasma metabolomics signatures of normosmic congenital hypogonadotropic hypogonadism
Heliyon, 2023 Background: Normosmic congenital hypogonadotropic hypogonadism (nCHH) is a rare disease, whose pathogenesis remains unclear. Here, we conducted untargeted metabolomics and lipidomics to identify seminal plasma signatures of nCHH, and to study the effect ...
Xiaogang Li +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
Towards Predicting Gut Microbial Metabolism: Integration of Flux Balance Analysis and Untargeted Metabolomics [PDF]
, 2020 Genomics-based metabolic models of microorganisms currently have no easy way of corroborating predicted biomass with the actual metabolites being produced.
Robert A. Edwards +4 more
core +1 more source
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
doaj +1 more source
Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC). [PDF]
, 2021 IntroductionThe metabolomics quality assurance and quality control consortium (mQACC) is enabling the identification, development, prioritization, and promotion of suitable reference materials (RMs) to be used in quality assurance (QA) and quality ...
Sun, Jinchun +25 more
core +1 more source