Functional metabolomics decipher biochemical functions and associated mechanisms underlie small‐molecule metabolism

L Hu, J Liu, W Zhang, T Wang, N Zhang… - Mass Spectrometry …, 2020 - Wiley Online Library
Metabolism is the collection of biochemical reactions enabled by chemically diverse
metabolites, which facilitate different physiological processes to exchange substances and …

Improving metabolome coverage and data quality: Advancing metabolomics and lipidomics for biomarker discovery

D Vuckovic - Chemical Communications, 2018 - pubs.rsc.org
This Feature Article highlights some of the key challenges within the field of metabolomics
and examines what role separation and analytical sciences can play to improve the use of …

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 …

[HTML][HTML] Recent advances in mass spectrometry-based computational metabolomics

TMD Ebbels, JJJ van der Hooft, H Chatelaine… - Current opinion in …, 2023 - Elsevier
The computational metabolomics field brings together computer scientists, bioinformaticians,
chemists, clinicians, and biologists to maximize the impact of metabolomics across a wide …

New tools and resources in metabolomics: 2016–2017

BB Misra - Electrophoresis, 2018 - Wiley Online Library
Rapid advances in mass spectrometry (MS) and nuclear magnetic resonance (NMR)‐based
platforms for metabolomics have led to an upsurge of data every single year. Newer high …

Enhancing metabolome coverage in data-dependent LC–MS/MS analysis through an integrated feature extraction strategy

Y Hu, B Cai, T Huan - Analytical chemistry, 2019 - ACS Publications
In untargeted metabolomics, conventional data preprocessing software (eg, XCMS, MZmine
2, MS-DIAL) are used extensively due to their high efficiency in metabolic feature extraction …

New advances in separation science for metabolomics: resolving chemical diversity in a post-genomic era

NL Kuehnbaum, P Britz-McKibbin - Chemical reviews, 2013 - ACS Publications
Metabolomics offers a revolutionary framework for phenotyping individuals at a molecular
level that is needed for new breakthroughs in cell biology and personalized medicine. 1− 3 …

Galaxy-M: A Galaxy workflow for processing and analyzing direct infusion and liquid chromatography mass spectrometry-based metabolomics data

RL Davidson, RJM Weber, H Liu, A Sharma-Oates… - …, 2016 - academic.oup.com
Background: Metabolomics is increasingly recognized as an invaluable tool in the
biological, medical and environmental sciences yet lags behind the methodological maturity …

Tools and resources for metabolomics research community: A 2017–2018 update

BB Misra, S Mohapatra - Electrophoresis, 2019 - Wiley Online Library
The scale at which MS‐and NMR‐based platforms generate metabolomics datasets for both
research, core, and clinical facilities to address challenges in the various sciences—ranging …

[HTML][HTML] “Notame”: workflow for non-targeted LC–MS metabolic profiling

A Klåvus, M Kokla, S Noerman, VM Koistinen… - Metabolites, 2020 - mdpi.com
Metabolomics analysis generates vast arrays of data, necessitating comprehensive
workflows involving expertise in analytics, biochemistry and bioinformatics in order to …