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 …
Analytical opportunities and challenges for data handling with chemometrics strategies from LC-MS based food metabolomics
Z Qin, J Wang, D Wang, H **ao, X Lv, H Chen… - Trends in Food Science & …, 2024 - Elsevier
Background Liquid chromatography-mass spectrometry-based metabolomics allows us to
measure thousands of small metabolites from food matrixes, focused on understanding in …
measure thousands of small metabolites from food matrixes, focused on understanding in …
Navigating freely-available software tools for metabolomics analysis
Introduction The field of metabolomics has expanded greatly over the past two decades,
both as an experimental science with applications in many areas, as well as in regards to …
both as an experimental science with applications in many areas, as well as in regards to …
[HTML][HTML] An assessment of quality assurance/quality control efforts in high resolution mass spectrometry non-target workflows for analysis of environmental samples
The application of non-target analysis (NTA), a comprehensive approach to characterize
unknown chemicals, including chemicals of emerging concern has seen a steady increase …
unknown chemicals, including chemicals of emerging concern has seen a steady increase …
Metabolomics for personalized medicine: the input of analytical chemistry from biomarker discovery to point-of-care tests
FA Castelli, G Rosati, C Moguet, C Fuentes… - Analytical and …, 2022 - Springer
Metabolomics refers to the large-scale detection, quantification, and analysis of small
molecules (metabolites) in biological media. Although metabolomics, alone or combined …
molecules (metabolites) in biological media. Although metabolomics, alone or combined …
Detailed investigation and comparison of the XCMS and MZmine 2 chromatogram construction and chromatographic peak detection methods for preprocessing mass …
XCMS and MZmine 2 are two widely used software packages for preprocessing untargeted
LC/MS metabolomics data. Both construct extracted ion chromatograms (EICs) and detect …
LC/MS metabolomics data. Both construct extracted ion chromatograms (EICs) and detect …
[HTML][HTML] Perspective: dietary biomarkers of intake and exposure—exploration with omics approaches
While conventional nutrition research has yielded biomarkers such as doubly labeled water
for energy metabolism and 24-h urinary nitrogen for protein intake, a critical need exists for …
for energy metabolism and 24-h urinary nitrogen for protein intake, a critical need exists for …
Comprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection
Z Li, Y Lu, Y Guo, H Cao, Q Wang, W Shui - Analytica chimica acta, 2018 - Elsevier
Data analysis represents a key challenge for untargeted metabolomics studies and it
commonly requires extensive processing of more than thousands of metabolite peaks …
commonly requires extensive processing of more than thousands of metabolite peaks …
Comparison of software tools for liquid chromatography–high-resolution mass spectrometry data processing in nontarget screening of environmental samples
LL Hohrenk, F Itzel, N Baetz, J Tuerk… - Analytical …, 2019 - ACS Publications
The field of high-resolution mass spectrometry has undergone a rapid progress in the last
years due to instrumental improvements leading to a higher sensitivity and selectivity of …
years due to instrumental improvements leading to a higher sensitivity and selectivity of …
Deep neural networks for classification of LC-MS spectral peaks
Liquid chromatography–mass spectrometry (LC-MS)-based metabolomics has emerged as
a valuable tool for biological discovery, capable of assaying thousands of diverse chemical …
a valuable tool for biological discovery, capable of assaying thousands of diverse chemical …