A calibration framework for the determination of accurate collision cross sections of polyanions using polyoxometalate standards

Hupin, Sébastien; Lavanant, Hélène; Renaudineau, Séverine; Proust, Anna; Izzet, Guillaume; Groessl, Michael; Afonso, Carlos

doi:10.1002/rcm.8230

Cited by 14 publications

(15 citation statements)

References 46 publications

(78 reference statements)

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“…The hexakis‐fluoropropoxyphospahzines (Agilent Tunemix calibration standard (Stow et al, )) and polyalanine (Allen et al, ) satisfy the criteria and are compatible with ESI. Several other synthetic polymers (Duez et al, ; Haler et al, , ) or supramolecular assemblies (Hupin et al, ) have recently been proposed as alternative calibrants. Finding new reference materials is currently a very active area of research, and it is expected that a few more years of testing will be necessary to reach consensus on the species and their mobilities.…”

Section: Reference Materials For Ion Mobilitymentioning

confidence: 99%

Recommendations for reporting ion mobility Mass Spectrometry measurements

Gabelica

Shvartsburg

Afonso

et al. 2019

Mass Spectrometry Reviews

Self Cite

336

449

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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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Section: Reference Materials For Ion Mobilitymentioning

confidence: 99%

Recommendations for reporting ion mobility Mass Spectrometry measurements

Gabelica

Shvartsburg

Afonso

et al. 2019

Mass Spectrometry Reviews

Self Cite

336

449

View full text Add to dashboard Cite

show abstract

“…It could also be because TWIMS requires calibration to obtain Ω values and this can be challenging when observing novel systems where calibrants of a similar size and nature should be used ( Wang et al, 2014b ; Mallis et al, 2019 ). Pleasingly, more diverse calibrants, such as inorganic calibrants, are being added to collections of known IMS calibrants ( Surman et al, 2016 ; Hupin et al, 2018 ). Additionally, Ω values are most meaningful when compared to theoretical structures to look beyond “trends,” which can require calculations that may be beyond the time or scope of a given study.…”

Section: Applications Of Ion Mobility Mass Spectrometry To Study Coordination Driven Self-assemblymentioning

confidence: 99%

Reaction Monitoring and Structural Characterisation of Coordination Driven Self-Assembled Systems by Ion Mobility-Mass Spectrometry

Williams

Rijs

2021

Front. Chem.

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Nature creates exquisite molecular assemblies, required for the molecular-level functions of life, via self-assembly. Understanding and harnessing these complex processes presents an immense opportunity for the design and fabrication of advanced functional materials. However, the significant industrial potential of self-assembly to fabricate highly functional materials is hampered by a lack of knowledge of critical reaction intermediates, mechanisms, and kinetics. As we move beyond the covalent synthetic regime, into the domain of non-covalent interactions occupied by self-assembly, harnessing and embracing complexity is a must, and non-targeted analyses of dynamic systems are becoming increasingly important. Coordination driven self-assembly is an important subtype of self-assembly that presents several wicked analytical challenges. These challenges are “wicked” due the very complexity desired confounding the analysis of products, intermediates, and pathways, therefore limiting reaction optimisation, tuning, and ultimately, utility. Ion Mobility-Mass Spectrometry solves many of the most challenging analytical problems in separating and analysing the structure of both simple and complex species formed via coordination driven self-assembly. Thus, due to the emerging importance of ion mobility mass spectrometry as an analytical technique tackling complex systems, this review highlights exciting recent applications. These include equilibrium monitoring, structural and dynamic analysis of previously analytically inaccessible complex interlinked structures and the process of self-sorting. The vast and largely untapped potential of ion mobility mass spectrometry to coordination driven self-assembly is yet to be fully realised. Therefore, we also propose where current analytical approaches can be built upon to allow for greater insight into the complexity and structural dynamics involved in self-assembly.

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“…15,[53][54][55][56][57][58][59][60][61][62][63][64][65][66][67][68][69] The hexakis-fluoropropoxyphospahzines (Agilent Tunemix calibration standard, with the latest published values from Stow et al 137 ) and polyalanine (with latest published values from Allen et al 112 ) satisfy the criteria and are compatible with ESI. Several other synthetic polymers [139][140][141] or supramolecular assemblies 142 have recently been proposed as alternative calibrants. Finding new reference materials is currently a very active area of research, and it is expected that a few more years of testing will be necessary to reach consensus on widely accepted materials and their values.…”

Section: Iv22 Combined Standard Uncertaintymentioning

confidence: 99%

Recommendations for Reporting Ion Mobility Mass Spectrometry Measurements

Gabelica

Afonso²,

Barran³

et al. 2018

Preprint

Self Cite

View full text Add to dashboard Cite

Here we present a guide on 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 on 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 (K0) depend intrinsically on ion structure, the nature of the bath gas, temperature, and E/N, (ii) ion mobility does not measure 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 towards establishing primary standards and reference materials for ion mobility, and provides recommendations to do so. <br><br><br>

show abstract

A calibration framework for the determination of accurate collision cross sections of polyanions using polyoxometalate standards

Cited by 14 publications

References 46 publications

Recommendations for reporting ion mobility Mass Spectrometry measurements

Recommendations for reporting ion mobility Mass Spectrometry measurements

Reaction Monitoring and Structural Characterisation of Coordination Driven Self-Assembled Systems by Ion Mobility-Mass Spectrometry

Recommendations for Reporting Ion Mobility Mass Spectrometry Measurements

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