ArticleAnalytical and bioanalytical chemistry2021
Non-covalent double bond sensors for gas-phase infrared spectroscopy of unsaturated fatty acids.
Article in Analytical and bioanalytical chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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5 citing papers in PubMed, 5 citations in OpenAlex.
- How to Use Quantum Chemistry for Analyzing Mass Spectrometry Data.Mass spectrometry (Tokyo, Japan) · 2026Review
- Establishing carbon-carbon double bond position and configuration in unsaturated fatty acids by gas-phase infrared spectroscopy.Chemical science · 2023Article
- Emerging scientists in analytical sciences: Carla Kirschbaum.Analytical science advances · 2022Article
- Cryogenic infrared spectroscopy provides mechanistic insight into the fragmentation of phospholipid silver adducts.Analytical and bioanalytical chemistry · 2022Article
- Review of Recent Advances in Lipid Analysis of Biological Samples via Ambient Ionization Mass Spectrometry.Metabolites · 2021Review
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Authors and funding
8 authors at 1 institution in 1 country.
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Abstract
The position and configuration of carbon-carbon double bonds in unsaturated fatty acids is crucial for their biological functions and influences health and disease. However, double bond isomers are not routinely distinguished by classical mass spectrometry workflows. Instead, they require sophisticated analytical approaches usually based on chemical derivatization and/or instrument modification. In this work, a novel strategy to investigate fatty acid double bond isomers (18:1) without prior chemical treatment or modification of the ion source was implemented by non-covalent adduct formation in the gas phase. Fatty acid adducts with sodium, pyridinium, trimethylammonium, dimethylammonium, and ammonium cations were characterized by a combination of cryogenic gas-phase infrared spectroscopy, ion mobility-mass spectrometry, and computational modeling. The results reveal subtle differences between double bond isomers and confirm three-dimensional geometries constrained by non-covalent ion-molecule interactions. Overall, this study on fatty acid adducts in the gas phase explores new avenues for the distinction of lipid double bond isomers and paves the way for further investigations of coordinating cations to increase resolution.
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