Conformational Dynamics in Ion Mobility Data

Poyer, Salomé; Comby‐Zerbino, Clothilde; Choi, Chang Min; MacAleese, Luke; Deo, Claire; Bogliotti, Nicolas; Xie, Juan; Salpin, Jean‐Yves; Dugourd, Philippe; Chirot, Fabien

doi:10.1021/acs.analchem.7b00281

Cited by 51 publications

(64 citation statements)

References 26 publications

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“…In the absence of activation, the observed ATDs all display a single peak, reflecting the selected time‐window. This indicates that no spontaneous interconversion between the different structural families is detectable under the experimental conditions, and further validates the identification of the above‐proposed families.…”

Section: Resultssupporting

confidence: 78%

Ion mobility resolved photo‐fragmentation to discriminate protomers

Choi

Kulesza

Daly

et al. 2018

Rapid Comm Mass Spectrometry

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Section: Resultssupporting

confidence: 78%

Ion mobility resolved photo‐fragmentation to discriminate protomers

Choi

Kulesza

Daly

et al. 2018

Rapid Comm Mass Spectrometry

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“…For structural studies, ATDs are also important to reveal peak width, peak shape, and the time the ions spent in the separation region (which can influence the result in case isomerization can occur during the separation (Laszlo, Munger, & Bush, ; Poyer et al, )). In the framework of structural studies, reporting collision cross section distributions (CCSD) becomes increasingly popular.…”

Section: Reporting Ion Mobility Measurementsmentioning

confidence: 99%

Recommendations for reporting ion mobility Mass Spectrometry measurements

Gabelica

Shvartsburg

Afonso

et al. 2019

Mass Spectrometry Reviews

330

435

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Here we present a guide to ion mobility mass spectrometry experiments, which covers both linear and nonlinear methods: what is measured, how the measurements are done, and how to report the results, including the uncertainties of mobility and collision cross section values. The guide aims to clarify some possibly confusing concepts, and the reporting recommendations should help researchers, authors and reviewers to contribute comprehensive reports, so that the ion mobility data can be reused more confidently. Starting from the concept of the definition of the measurand, we emphasize that (i) mobility values ( K 0 ) depend intrinsically on ion structure, the nature of the bath gas, temperature, and E / N ; (ii) ion mobility does not measure molecular surfaces directly, but collision cross section (CCS) values are derived from mobility values using a physical model; (iii) methods relying on calibration are empirical (and thus may provide method‐dependent results) only if the gas nature, temperature or E / N cannot match those of the primary method. Our analysis highlights the urgency of a community effort toward establishing primary standards and reference materials for ion mobility, and provides recommendations to do so. © 2019 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc.

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“…Moreover, working above the low-field limit means that field heating could change the effective temperature of the ions, resulting in measurable fragmentation [29,30] or isomerization [31] as shown for ions of 200-300 Da in TWIMS. In the previous section, we saw that (1) nitrogen CCSs vary with the temperature in the 300-500K range, and that (2)…”

Section: Are We Measuring Ion Mobility At the Low-field Limit?mentioning

confidence: 99%

Fundamentals of ion mobility spectrometry

Gabelica

Marklund

2018

Current Opinion in Chemical Biology

296

362

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Fundamental questions in ion mobility spectrometry have practical implications for analytical applications in general, and omics in particular, in three respects. (1) Understanding how ion mobility and collision cross section values depend on the collision gas, on the electric field and on temperature is crucial to ascertain their transferability across instrumental platforms. (2) Predicting collision cross section values for new analytes is necessary to exploit the full potential of ion mobility in discovery workflows. (3) Finally, understanding the fate of ion structures in the gas phase is essential to infer meaningful information on solution structures based on gas-phase ion mobility measurements. We review here the most recent advances in ion mobility fundamentals, relevant to these three aspects.

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Conformational Dynamics in Ion Mobility Data

Cited by 51 publications

References 26 publications

Ion mobility resolved photo‐fragmentation to discriminate protomers

Ion mobility resolved photo‐fragmentation to discriminate protomers

Recommendations for reporting ion mobility Mass Spectrometry measurements

Fundamentals of ion mobility spectrometry

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