Identification of bioactive metabolites using activity metabolomics
The metabolome, the collection of small-molecule chemical entities involved in metabolism,
has traditionally been studied with the aim of identifying biomarkers in the diagnosis and …
has traditionally been studied with the aim of identifying biomarkers in the diagnosis and …
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 …
METLIN: a technology platform for identifying knowns and unknowns
METLIN originated as a database to characterize known metabolites and has since
expanded into a technology platform for the identification of known and unknown …
expanded into a technology platform for the identification of known and unknown …
Software tools and approaches for compound identification of LC-MS/MS data in metabolomics
The annotation of small molecules remains a major challenge in untargeted mass
spectrometry-based metabolomics. We here critically discuss structured elucidation …
spectrometry-based metabolomics. We here critically discuss structured elucidation …
Comparison of full-scan, data-dependent, and data-independent acquisition modes in liquid chromatography–mass spectrometry based untargeted metabolomics
Full-scan, data-dependent acquisition (DDA), and data-independent acquisition (DIA) are
the three common data acquisition modes in high resolution mass spectrometry-based …
the three common data acquisition modes in high resolution mass spectrometry-based …
Challenges, progress and promises of metabolite annotation for LC–MS-based metabolomics
Highlights•Data independent MS/MS acquisition methods improve metabolite
identification.•A step-by-step workflow is needed to assess the accuracy of metabolite …
identification.•A step-by-step workflow is needed to assess the accuracy of metabolite …
Challenges and emergent solutions for LC‐MS/MS based untargeted metabolomics in diseases
In the past decade, advances in liquid chromatography‐mass spectrometry (LC‐MS) have
revolutionized untargeted metabolomics analyses. By mining metabolomes more deeply …
revolutionized untargeted metabolomics analyses. By mining metabolomes more deeply …
A cheminformatics approach to characterize metabolomes in stable-isotope-labeled organisms
We report a computational approach (implemented in MS-DIAL 3.0; http://prime. psc. riken.
jp/) for metabolite structure characterization using fully 13C-labeled and non-labeled plants …
jp/) for metabolite structure characterization using fully 13C-labeled and non-labeled plants …
Defining the scope of exposome studies and research needs from a multidisciplinary perspective
The concept of the exposome was introduced over 15 years ago to reflect the important role
that the environment exerts on health and disease. While originally viewed as a call-to-arms …
that the environment exerts on health and disease. While originally viewed as a call-to-arms …
Suspect and non-targeted screening of chemicals of emerging concern for human biomonitoring, environmental health studies and support to risk assessment: From …
Large-scale suspect and non-targeted screening approaches based on high-resolution
mass spectrometry (HRMS) are today available for chemical profiling and holistic …
mass spectrometry (HRMS) are today available for chemical profiling and holistic …