Web-based multi-omics integration using the analyst software suite
The growing number of multi-omics studies demands clear conceptual workflows coupled
with easy-to-use software tools to facilitate data analysis and interpretation. This protocol …
with easy-to-use software tools to facilitate data analysis and interpretation. This protocol …
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 …
MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation
We introduce MetaboAnalyst version 6.0 as a unified platform for processing, analyzing, and
interpreting data from targeted as well as untargeted metabolomics studies using liquid …
interpreting data from targeted as well as untargeted metabolomics studies using liquid …
microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data
Abstract microbeMASST, a taxonomically informed mass spectrometry (MS) search tool,
tackles limited microbial metabolite annotation in untargeted metabolomics experiments …
tackles limited microbial metabolite annotation in untargeted metabolomics experiments …
Urine excretion, organ distribution, and placental transfer of 6PPD and 6PPD-quinone in mice and potential developmental toxicity through nuclear receptor pathways
The rubber antioxidant 6PPD has gained significant attention due to its highly toxic
transformation product, 6PPD-quinone (6PPDQ). Despite their detection in urines of …
transformation product, 6PPD-quinone (6PPDQ). Despite their detection in urines of …
Annotating metabolite mass spectra with domain-inspired chemical formula transformers
S Goldman, J Wohlwend, M Stražar… - Nature Machine …, 2023 - nature.com
Metabolomics studies have identified small molecules that mediate cell signaling,
competition and disease pathology, in part due to large-scale community efforts to measure …
competition and disease pathology, in part due to large-scale community efforts to measure …
Recent advances in mass spectrometry-based computational metabolomics
The computational metabolomics field brings together computer scientists, bioinformaticians,
chemists, clinicians, and biologists to maximize the impact of metabolomics across a wide …
chemists, clinicians, and biologists to maximize the impact of metabolomics across a wide …
Progress and challenges in exploring aquatic microbial communities using non-targeted metabolomics
Advances in bioanalytical technologies are constantly expanding our insights into complex
ecosystems. Here, we highlight strategies and applications that make use of non-targeted …
ecosystems. Here, we highlight strategies and applications that make use of non-targeted …
Nontarget Screening Strategies for PFAS Prioritization and Identification by High Resolution Mass Spectrometry: A Review.
Per-and polyfluoroalkyl substances (PFAS) are a large group of more than 4700 individual
compounds which are applied in a wide range of applications in industrial processes and …
compounds which are applied in a wide range of applications in industrial processes and …
A bacterial sialidase mediates early-life colonization by a pioneering gut commensal
The early microbial colonization of the gastrointestinal tract can have long-term impacts on
development and health. Keystone species, including Bacteroides spp., are prominent in …
development and health. Keystone species, including Bacteroides spp., are prominent in …