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 …
Microorganisms affect not only the chemistry of their specific niche, such as the human gut …
The exposome and health: Where chemistry meets biology
Despite extensive evidence showing that exposure to specific chemicals can lead to
disease, current research approaches and regulatory policies fail to address the chemical …
disease, current research approaches and regulatory policies fail to address the chemical …
HMDB 5.0: the human metabolome database for 2022
DS Wishart, AC Guo, E Oler, F Wang… - Nucleic acids …, 2022 - academic.oup.com
Abstract The Human Metabolome Database or HMDB (https://hmdb. ca) has been providing
comprehensive reference information about human metabolites and their associated …
comprehensive reference information about human metabolites and their associated …
[HTML][HTML] High-confidence structural annotation of metabolites absent from spectral libraries
MA Hoffmann, LF Nothias, M Ludwig… - Nature …, 2022 - nature.com
Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but,
typically, only a small fraction of spectra can be matched. Previous in silico methods search …
typically, only a small fraction of spectra can be matched. Previous in silico methods search …
[HTML][HTML] Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics
The metabolome includes not just known but also unknown metabolites; however,
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …
[HTML][HTML] Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking
Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …
to measure both known and unknown metabolites in the metabolome. However, unknown …
Soil organic matter characterization by fourier transform ion cyclotron resonance mass spectrometry (FTICR MS): A critical review of sample preparation, analysis, and …
The biogeochemical cycling of soil organic matter (SOM) plays a central role in regulating
soil health, water quality, carbon storage, and greenhouse gas emissions. Thus, many …
soil health, water quality, carbon storage, and greenhouse gas emissions. Thus, many …
[HTML][HTML] The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass …
H Mohammed Taha, R Aalizadeh, N Alygizakis… - Environmental Sciences …, 2022 - Springer
Abstract Background The NORMAN Association (https://www. norman-network. com/)
initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www. norman …
initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www. norman …
[HTML][HTML] NORMAN guidance on suspect and non-target screening in environmental monitoring
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 …
and humans has led to large interest for broadening the knowledge on the chemical status …
[HTML][HTML] MSNovelist: de novo structure generation from mass spectra
Current methods for structure elucidation of small molecules rely on finding similarity with
spectra of known compounds, but do not predict structures de novo for unknown compound …
spectra of known compounds, but do not predict structures de novo for unknown compound …