[HTML][HTML] Using MetaboAnalyst 5.0 for LC–HRMS spectra processing, multi-omics integration and covariate adjustment of global metabolomics data

Z Pang, G Zhou, J Ewald, L Chang, O Hacariz… - Nature protocols, 2022 - nature.com
Liquid chromatography coupled with high-resolution mass spectrometry (LC–HRMS) has
become a workhorse in global metabolomics studies with growing applications across …

Mass spectrometry-based metabolomics in microbiome investigations

A Bauermeister, H Mannochio-Russo… - Nature Reviews …, 2022 - nature.com
Microbiotas are a malleable part of ecosystems, including the human ecosystem.
Microorganisms affect not only the chemistry of their specific niche, such as the human gut …

MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights

Z Pang, J Chong, G Zhou… - Nucleic acids …, 2021 - academic.oup.com
Since its first release over a decade ago, the MetaboAnalyst web-based platform has
become widely used for comprehensive metabolomics data analysis and interpretation …

Using MetaboAnalyst 4.0 for comprehensive and integrative metabolomics data analysis

J Chong, DS Wishart, J Xia - Current protocols in bioinformatics, 2019 - Wiley Online Library
Abstract MetaboAnalyst (https://www. metaboanalyst. ca) is an easy‐to‐use web‐based tool
suite for comprehensive metabolomic data analysis, interpretation, and integration with other …

Feature-based molecular networking in the GNPS analysis environment

LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer… - Nature …, 2020 - nature.com
Molecular networking has become a key method to visualize and annotate the chemical
space in non-targeted mass spectrometry data. We present feature-based molecular …

[HTML][HTML] Single-cell multi-omics in the medicinal plant Catharanthus roseus

C Li, JC Wood, AH Vu, JP Hamilton… - Nature Chemical …, 2023 - nature.com
Advances in omics technologies now permit the generation of highly contiguous genome
assemblies, detection of transcripts and metabolites at the level of single cells and high …

[HTML][HTML] Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking

Z Zhou, M Luo, H Zhang, Y Yin, Y Cai, ZJ Zhu - Nature Communications, 2022 - nature.com
Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …

[HTML][HTML] MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools

M Ernst, KB Kang, AM Caraballo-Rodríguez… - Metabolites, 2019 - mdpi.com
Metabolomics has started to embrace computational approaches for chemical interpretation
of large data sets. Yet, metabolite annotation remains a key challenge. Recently, molecular …

[HTML][HTML] Microbiome homeostasis on rice leaves is regulated by a precursor molecule of lignin biosynthesis

P Su, H Kang, Q Peng, WA Wicaksono, G Berg… - Nature …, 2024 - nature.com
In terrestrial ecosystems, plant leaves provide the largest biological habitat for highly diverse
microbial communities, known as the phyllosphere microbiota. However, the underlying …

[HTML][HTML] NORMAN guidance on suspect and non-target screening in environmental monitoring

J Hollender, EL Schymanski, L Ahrens… - Environmental Sciences …, 2023 - Springer
Increasing production and use of chemicals and awareness of their impact on ecosystems
and humans has led to large interest for broadening the knowledge on the chemical status …