ArticleJournal of the American Society for Mass Spectrometry2017
Investigating Differences in Gas-Phase Conformations of 25-Hydroxyvitamin D3 Sodiated Epimers using Ion Mobility-Mass Spectrometry and Theoretical Modeling.
Article in Journal of the American Society for Mass Spectrometry, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 43 citations in OpenAlex.
- Review
- Characterization of spironolactone and metabolites derivatized using Girard's reagent P using mass spectrometry and ion mobility spectrometry.Rapid communications in mass spectrometry : RCM · 2024Article
- Improved analysis of derivatized steroid hormone isomers using ion mobility-mass spectrometry (IM-MS).Analytical and bioanalytical chemistry · 2023Article
- Improved analysis of derivatized steroid hormone isomers using ion mobility-mass spectrometry (IM-MS).Analytical and bioanalytical chemistry · 2023Article
- Collision cross section measurement and prediction methods in omics.Journal of mass spectrometry : JMS · 2023Review
- Integrating the potential of ion mobility spectrometry-mass spectrometry in the separation and structural characterisation of lipid isomers.Frontiers in molecular biosciences · 2023Review
- Differentiation of Dihydroxylated Vitamin DJournal of the American Society for Mass Spectrometry · 2022Article
- Analytical considerations for accurately capturing the relevant species contributing to vitamin D status in liquid chromatography-tandem mass spectrometry assays.Analytical science advances · 2022Article
- Ion mobility-based sterolomics reveals spatially and temporally distinctive sterol lipids in the mouse brain.Nature communications · 2021Article
- Recommendations on the measurement and the clinical use of vitamin D metabolites and vitamin D binding protein - A position paper from the IFCC Committee on bone metabolism.Clinica chimica acta; international journal of clinical chemistry · 2021Review
- A First Principle Model of Differential Ion Mobility: the Effect of Ion-Solvent Clustering.Journal of the American Society for Mass Spectrometry · 2019Article
- A Comprehensive UHPLC Ion Mobility Quadrupole Time-of-Flight Method for Profiling and Quantification of Eicosanoids, Other Oxylipins, and Fatty Acids.Analytical chemistry · 2019Article
- Cation-Dependent Conformations in 25-Hydroxyvitamin D3-Cation Adducts Measured by Ion Mobility-Mass Spectrometry and Theoretical Modeling.International journal of mass spectrometry · 2018Article
- Rapid Quantification of 25-Hydroxyvitamin DJournal of the American Society for Mass Spectrometry · 2018Article
- Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics.Metabolites · 2018Review
- Magnifying ion mobility spectrometry-mass spectrometry measurements for biomolecular structure studies.Current opinion in chemical biology · 2018Review
- Activation of Reactive MALDI Adduct Ions Enables Differentiation of Dihydroxylated Vitamin D Isomers.Journal of the American Society for Mass Spectrometry · 2017Article
- Experimental and Theoretical Investigation of Sodiated Multimers of Steroid Epimers with Ion Mobility-Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2017Article
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Authors and funding
5 authors at 1 institution in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Drift tube ion mobility coupled with mass spectrometry was used to investigate the gas-phase structure of 25-hydroxyvitamin D3 (25OHD3) and D2 (25OHD2) epimers, and to evaluate its potential in rapid separation of these compounds. Experimental results revealed two distinct drift species for the 25OHD3 sodiated monomer, whereas only one of these conformations was observed for its epimer (epi25OHD3). The unique species allowed 25OHD3 to be readily distinguished, and the same pattern was observed for 25OHD2 epimers. Theoretical modeling of 25OHD3 epimers identified energetically stable gas-phase structures, indicating that both compounds may adopt a compact "closed" conformation, but that 25OHD3 may also adopt a slightly less energetically favorable "open" conformation that is not accessible to its epimer. Calculated theoretical collision cross-sections for these structures agreed with experimental results to <2%. Experimentation indicated that additional energy in the ESI source (i.e., increased temperature, spray voltage) affected the ratio of 25OHD3 conformations, with the less energetically favorable "open" conformation increasing in relative intensity. Finally, LC-IM-MS results yielded linear quantitation of 25OHD3, in the presence of the epimer interference, at biologically relevant concentrations. This study demonstrates that ion mobility can be used in tandem with theoretical modeling to determine structural differences that contribute to drift separation. These separation capabilities provide potential for rapid (<60 ms) identification of 25OHD3 and 25OHD2 in mixtures with their epimers. Graphical Abstract ᅟ.
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