ArticleAnalytical chemistry2023
New Approach for the Identification of Isobaric and Isomeric Metabolites.
Article in Analytical chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 18 citations in OpenAlex.
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- Steroid Fingerprinting with Cryogenic Gas-Phase Infrared Spectroscopy.ACS measurement science au · 2026Article
- Cryogenic Gas-phase IR Spectroscopy on a Commercial Ion Mobility-Mass Spectrometry Platform.Analytical chemistry · 2026Article
- Characterization of rare trifucosylated human milk oligosaccharides by cryogenic infrared ion spectroscopy (CIRIS).Analytical and bioanalytical chemistry · 2025Article
- Distinguishing Isomeric Caffeine Metabolites through Protomers and Tautomers Using Cryogenic Gas-Phase Infrared Spectroscopy.Analytical chemistry · 2025Article
- Development of a Robust Platform for Infrared Ion Spectroscopy: A New Addition to the Analytical Toolkit for Enhanced Metabolite Structure Elucidation.Analytical chemistry · 2025Article
- From Complexity to Clarity: Expanding Metabolome Coverage With Innovative Analytical Strategies.Journal of separation science · 2025Review
- Precision Dietary Intervention: Gut Microbiome and Meta-metabolome as Functional Readouts.Phenomics (Cham, Switzerland) · 2025Review
- Infrared Photodissociation Spectroscopy of Water-Tagged Ions with a Widely Tunable Quantum Cascade Laser for Planetary Science Applications.Analytical chemistry · 2024Article
- Altering Conformational States of Dynamic Ion Populations using Traveling Wave Structures for Lossless Ion Manipulations.Analytical chemistry · 2024Article
- Combining Liquid Chromatography and Cryogenic IR Spectroscopy in Real Time for the Analysis of Oligosaccharides.Analytical chemistry · 2024Article
- Structural Elucidation of Agrochemical Metabolic Transformation Products Based on Infrared Ion Spectroscopy to Improve In Silico Toxicity Assessment.Chemical research in toxicology · 2024Article
- Recent advances in high-resolution traveling wave-based ion mobility separations coupled to mass spectrometry.Mass spectrometry reviewsReview
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Authors and funding
5 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The structural elucidation of metabolite molecules is important in many branches of the life sciences. However, the isomeric and isobaric complexity of metabolites makes their identification extremely challenging, and analytical standards are often required to confirm the presence of a particular compound in a sample. We present here an approach to overcome these challenges using high-resolution ion mobility spectrometry in combination with cryogenic vibrational spectroscopy for the rapid separation and identification of metabolite isomers and isobars. Ion mobility can separate isomeric metabolites in tens of milliseconds, and cryogenic IR spectroscopy provides highly structured IR fingerprints for unambiguous molecular identification. Moreover, our approach allows one to identify metabolite isomers automatically by comparing their IR fingerprints with those previously recorded in a database, obviating the need for a recurrent introduction of analytical standards. We demonstrate the principle of this approach by constructing a database composed of IR fingerprints of eight isomeric/isobaric metabolites and use it for the identification of these isomers present in mixtures. Moreover, we show how our fast IR fingerprinting technology allows to probe the IR fingerprints of molecules within just a few seconds as they elute from an LC column. This approach has the potential to greatly improve metabolomics workflows in terms of accuracy, speed, and cost.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.