Analytical methods in untargeted metabolomics: state of the art in 2015
Metabolomics comprises the methods and techniques that are used to measure the small
molecule composition of biofluids and tissues, and is actually one of the most rapidly …
molecule composition of biofluids and tissues, and is actually one of the most rapidly …
Mass spectral databases for LC/MS-and GC/MS-based metabolomics: State of the field and future prospects
At present, mass spectrometry (MS)-based metabolomics has been widely used to obtain
new insights into human, plant, and microbial biochemistry; drug and biomarker discovery; …
new insights into human, plant, and microbial biochemistry; drug and biomarker discovery; …
Analysis of the human adult urinary metabolome variations with age, body mass index, and gender by implementing a comprehensive workflow for univariate and …
EA Thévenot, A Roux, Y Xu, E Ezan… - Journal of proteome …, 2015 - ACS Publications
Urine metabolomics is widely used for biomarker research in the fields of medicine and
toxicology. As a consequence, characterization of the variations of the urine metabolome …
toxicology. As a consequence, characterization of the variations of the urine metabolome …
CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets
C Kuhl, R Tautenhahn, C Bottcher, TR Larson… - Analytical …, 2012 - ACS Publications
Liquid chromatography coupled to mass spectrometry is routinely used for metabolomics
experiments. In contrast to the fairly routine and automated data acquisition steps …
experiments. In contrast to the fairly routine and automated data acquisition steps …
Chemical discovery in the era of metabolomics
M Sindelar, GJ Patti - Journal of the American Chemical Society, 2020 - ACS Publications
Untargeted metabolomics aims to quantify the complete set of metabolites within a biological
system, most commonly by liquid chromatography/mass spectrometry (LC/MS). Since nearly …
system, most commonly by liquid chromatography/mass spectrometry (LC/MS). Since nearly …
xMSannotator: an R package for network-based annotation of high-resolution metabolomics data
Improved analytical technologies and data extraction algorithms enable detection of> 10
000 reproducible signals by liquid chromatography–high-resolution mass spectrometry …
000 reproducible signals by liquid chromatography–high-resolution mass spectrometry …
Next-generation mass spectrometry metabolomics revives the functional analysis of plant metabolic diversity
D Li, E Gaquerel - Annual Review of Plant Biology, 2021 - annualreviews.org
The remarkable diversity of specialized metabolites produced by plants has inspired several
decades of research and nucleated a long list of theories to guide empirical ecological …
decades of research and nucleated a long list of theories to guide empirical ecological …
Computational metabolomics: a framework for the million metabolome
“Sola dosis facit venenum.” These words of Paracelsus,“the dose makes the poison”, can
lead to a cavalier attitude concerning potential toxicities of the vast array of low abundance …
lead to a cavalier attitude concerning potential toxicities of the vast array of low abundance …
Sparse network modeling and metscape-based visualization methods for the analysis of large-scale metabolomics data
Motivation Recent technological advances in mass spectrometry, development of richer
mass spectral libraries and data processing tools have enabled large scale metabolic …
mass spectral libraries and data processing tools have enabled large scale metabolic …
A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data
Several metabolomic software programs provide methods for peak picking, retention time
alignment and quantification of metabolite features in LC/MS-based metabolomics …
alignment and quantification of metabolite features in LC/MS-based metabolomics …