Fundamentals and applications of incorporating chromatographic separations with ion mobility-mass spectrometry

Morrison, Kelsey A.; Clowers, Brian H.

doi:10.1016/j.trac.2019.115625

Cited by 24 publications

(19 citation statements)

References 64 publications

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“…While new dissociation methods (e.g., electron-based ones, charge transfer dissociation, and ultraviolet photodissociation) have shown promise for the characterization of various carbohydrate isomers, − better front-end MS separations are still needed to aid in the deconvolution of complex spectra and in data interpretation. Ion mobility spectrometry paired with mass spectrometry (i.e., IMS–MS) is both a rapid alternative and an orthogonal complement to condensed-phase separations. − In IMS–MS, ions are separated in the gas phase under the presence of an electric field based on their size/structure (i.e., their ion mobility) and charge. − Recent technological developments such as with trapped ion mobility spectrometry (TIMS), structures for lossless ion manipulations (SLIM), and cyclic ion mobility spectrometry (cIMS) have greatly increased the achievable IMS resolving power (on the order of 100s), ,− thus enabling widespread adoption in omics-based research as well as for the rapid separation of certain isomeric species.…”

Section: Introductionmentioning

confidence: 99%

Investigating the Structure of α/β Carbohydrate Linkage Isomers as a Function of Group I Metal Adduction and Degree of Polymerization as Revealed by Cyclic Ion Mobility Separations

Williamson

Bergman

Nagy

2021

J. Am. Soc. Mass Spectrom.

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In high-resolution ion mobility spectrometry−mass spectrometry (IMS−MS)-based separations individual, pure, oligosaccharide species often produce multiple IMS peaks presumably from their α/β anomers, cation attachment site conformations, and/or other energetically favorable structures. Herein, the use of high-resolution traveling wave-based cyclic IMS−MS to systematically investigate the origin of these multiple peaks by analyzing α1,4and β1,4-linked D-glucose homopolymers as a function of their group I metal adducts is presented. Across varying degrees of polymerization, and for certain metal adducts, at least two major IMS peaks with relative areas that matched the ∼40:60 ratio for the α/β anomers of a reducing-end D-glucose as previously calculated by NMR were observed. To further validate that these were indeed the α/β anomers, rather than other substructures, the reduced versions of several maltooligosaccharides were analyzed and all produced a single IMS peak. This result enabled the discovery of a mobility fingerprint trend: the β anomer was always higher mobility than the α anomer for the cellooligosaccharides, while the α anomer was always higher mobility than the β anomer for the maltooligosaccharides. For maltohexaose, a spurious, high mobility, fourth peak was present. This was hypothesized to potentially be from a highly compacted conformation. To investigate this, α-cyclodextrin, a cyclic oligosaccharide, produced similar arrival times as the high mobility maltohexaose peak. It is anticipated that these findings will aid in the data deconvolution of IMS−MS-based glycomics workflows and enable the improved characterization of biologically relevant carbohydrates.

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Section: Introductionmentioning

confidence: 99%

Investigating the Structure of α/β Carbohydrate Linkage Isomers as a Function of Group I Metal Adduction and Degree of Polymerization as Revealed by Cyclic Ion Mobility Separations

Williamson

Bergman

Nagy

2021

J. Am. Soc. Mass Spectrom.

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“…Nowadays, ion mobility spectrometry (IMS) is attracting more and more attention from researchers in various fields (e.g., clinical, environmental, food analysis, etc. ), − due to its compatible hyphenation with mass spectrometry (MS) and the commercialization of ion mobility-mass spectrometry (IM-MS) platforms . Specifically, IMS has been widely applied in metabolomics studies, where a large chemical diversity of molecules (i.e., lipids, steroids, peptides, amino acids, nucleotides, etc.)…”

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confidence: 99%

Interlaboratory and Interplatform Study of Steroids Collision Cross Section by Traveling Wave Ion Mobility Spectrometry

et al. 2020

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Collision cross section (CCS) databases based on single-laboratory measurements must be cross-validated to extend their use in peak annotation. This work addresses the validation of the first comprehensive TWCCSN2 database for steroids. First, its long-term robustness was evaluated (i.e., a year and a half after database generation; Synapt G2-S instrument; bias within ±1.0% for 157 ions, 95.7% of the total ions). It was further cross-validated by three external laboratories, including two different TWIMS platforms (i.e., Synapt G2-Si and two Vion IMS QToF; bias within the threshold of ±2.0% for 98.8, 79.9, and 94.0% of the total ions detected by each instrument, respectively). Finally, a cross-laboratory TWCCSN2 database was built for 87 steroids (142 ions). The cross-laboratory database consists of average TWCCSN2 values obtained by the four TWIMS instruments in triplicate measurements. In general, lower deviations were observed between TWCCSN2 measurements and reference values when the cross-laboratory database was applied as a reference instead of the single-laboratory database. Relative standard deviations below 1.5% were observed for interlaboratory measurements (<1.0% for 85.2% of ions) and bias between average values and TWCCSN2 measurements was within the range of ±1.5% for 96.8% of all cases. In the context of this interlaboratory study, this threshold was also suitable for TWCCSN2 measurements of steroid metabolites in calf urine. Greater deviations were observed for steroid sulfates in complex urine samples of adult bovines, showing a slight matrix effect. The implementation of a scoring system for the application of the CCS descriptor in peak annotation is also discussed.

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“…In addition to chromatographic separation of isomers with MS/MS detection, we tested ion mobility mass spectrometry (IMS-MS) for its ability to achieve the required isomer selectivity. In principle, this technique enables separation of isomeric compounds within milliseconds thus faster chromatographic runs because isomer separation may be achieved in the coupled IMS-MS and may therefore not be necessary in the LC system [ 30 ].…”

Section: Methodsmentioning

confidence: 99%

HPLC-MS/MS Shows That the Cellular Uptake of All-Trans-Retinoic Acid under Hypoxia Is Downregulated by the Novel Active Agent 5-Methoxyleoligin

Guntner

Doppler

Wechselberger

et al. 2020

Cells

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All-trans-retinoic acid (atRA) is the essential derivative of vitamin A and is of interest due to its various biological key functions. As shown in the recent literature, atRA also plays a role in the failing heart during myocardial infarction, the leading cause of death globally. To date insufficient mechanistic information has been available on related hypoxia-induced cell damage and reperfusion injuries. However, it has been demonstrated that a reduction in cellular atRA uptake abrogates hypoxia-mediated cell and tissue damage, which may offer a new route for intervention. Consequently, in this study, the effect of the novel cardio-protective compound 5-methoxyleoligin (5ML) on cellular atRA uptake was tested in human umbilical-vein endothelial cells (HUVECs). For this purpose, a high-performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS) method was developed to assess intra-cellular levels of the active substance and corresponding levels of vitamin A and its derivatives, including potential cis/trans isomers. This work also focused on light-induced isomerization and the stability of biological sample material to ensure sample integrity and avoid biased conclusions. This study provides evidence of the inhibitory effect of 5ML on cellular atRA uptake, a promising step toward a novel therapy for myocardial infarction.

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Fundamentals and applications of incorporating chromatographic separations with ion mobility-mass spectrometry

Cited by 24 publications

References 64 publications

Investigating the Structure of α/β Carbohydrate Linkage Isomers as a Function of Group I Metal Adduction and Degree of Polymerization as Revealed by Cyclic Ion Mobility Separations

Investigating the Structure of α/β Carbohydrate Linkage Isomers as a Function of Group I Metal Adduction and Degree of Polymerization as Revealed by Cyclic Ion Mobility Separations

Interlaboratory and Interplatform Study of Steroids Collision Cross Section by Traveling Wave Ion Mobility Spectrometry

HPLC-MS/MS Shows That the Cellular Uptake of All-Trans-Retinoic Acid under Hypoxia Is Downregulated by the Novel Active Agent 5-Methoxyleoligin

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