Alkali metal cation adduct effect on polybutylene adipate oligomers: Ion mobility-mass spectrometry

Crescentini, Tiffany M.; May, Jody C.; McLean, John A.; Hercules, David M.

doi:10.1016/j.polymer.2019.04.004

Cited by 12 publications

(6 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…These DP values can be extracted from the minima of the CCS derivatives, ∂CCS, for each charge state curve of the CCS as a function of the DP (which exhibit at least one structural rearrangement; Table and Figure S14). , The DP half‑rearr can also be evaluated (or verified) using the average DP of the DPs constituting the structural rearrangements, especially if the CCS evolution is slightly disperse and the derivative does not give a single minimum per structural rearrangement.…”

Section: Resultsmentioning

confidence: 99%

Using Ion Mobility–Mass Spectrometry to Extract Physicochemical Enthalpic and Entropic Contributions from Synthetic Polymers

Haler

Far

Rosa

et al. 2020

J. Am. Soc. Mass Spectrom.

View full text Add to dashboard Cite

Ion mobility–mass spectrometry (IM-MS) experiments are mostly used hand in hand with computational chemistry to correlate mobility measurements to the shape of the ions. Recently, we developed an automatable method to fit IM data obtained with synthetic homopolymers (i.e., collision cross sections; CCS) without resorting to computational chemistry. Here, we further develop the experimental IM data interpretation to explore physicochemical properties of a series of nine polymers and their monomer units by monitoring the relationship between the CCS and the degree of polymerization (DP). Several remarkable points of the CCS evolutions as a function of the DP were found: the first observed DP of each charge state (ΔDPfirst DP), the DPs constituting the structural rearrangements (ΔDPrearr), and the DPs at the half-rearrangement (DPhalf‑rearr). Given that these remarkable points do not rely on absolute CCS values, but on their relative evolution, they can be extracted from CCS or raw IM data without accurate IM calibration. Properties such as coordination numbers of the cations, steric hindrance, or side chain flexibility can be compared. This leads to fit parameter predictions based on the nature of the monomer unit. The interpretation of the fit parameters, extracted using solely experimental data, allows a rapid screening of the properties of the polymers.

show abstract

Section: Resultsmentioning

confidence: 99%

Using Ion Mobility–Mass Spectrometry to Extract Physicochemical Enthalpic and Entropic Contributions from Synthetic Polymers

Haler

Far

Rosa

et al. 2020

J. Am. Soc. Mass Spectrom.

View full text Add to dashboard Cite

show abstract

“…This was assigned to pendant methyl groups bonded to Si atoms in PDMS, causing a steric hindrance to the chain wrapping around the charges. By plotting the first derivative of CCS (ΔCCS/ΔDP) instead of CCS as a function of DP (such as in Figure c), Hercules and co‐workers clearly highlighted that structural trends observed in IMS‐MS are native to the polymer and independent of the cationization agents . In such a representation (Figure a), the “tipping point” in CCS indicating that a structural transition is achieved corresponds to a valley.…”

Section: Investigation Of Gas‐phase Ion Structuresmentioning

confidence: 99%

“…a, Conceptual illustration of a polymer undergoing charge‐dependent structural transition as indicated by a well‐defined valley while plotting ΔCCS vs DP, and experimental charge state trends observed for polybutylene adipate oligomers with z = +1 (dotted line), z = +2 (dashed line) and z = +3 (solid line) when adducted to b, Li + ; c, Na + ; d, K + ; e, Rb + ; and f, Cs + . Reprinted with permission from Crescentini et al Copyright 2019 Elsevier…”

Section: Investigation Of Gas‐phase Ion Structuresmentioning

confidence: 99%

Ion mobility spectrometry – Mass spectrometry coupling for synthetic polymers

Charles

Chendo

Poyer

2020

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

This review covers applications of ion mobility spectrometry (IMS) hyphenated to mass spectrometry (MS) in the field of synthetic polymers. MS has become an essential technique in polymer science, but increasingly complex samples produced to provide desirable macroscopic properties of high‐performance materials often require separation of species prior to their mass analysis. Similar to liquid chromatography, the IMS dimension introduces shape selectivity but enables separation at a much faster rate (milliseconds vs minutes). As a post‐ionization technique, IMS can be hyphenated to MS to perform a double separation dimension of gas‐phase ions, first as a function on their mobility (determined by their charge state and collision cross section, CCS), then as a function of their m/z ratio. Implemented with a variety of ionization techniques, such coupling permits the spectral complexity to be reduced, to enhance the dynamic range of detection, or to achieve separation of isobaric ions prior to their activation in MS/MS experiments. Coupling IMS to MS also provides valuable information regarding the 3D structure of polymer ions in the gas phase and regarding how to address the question of how charges are distributed within the structure. Moreover, the ability of IMS to separate multiply charged species generated by electrospray ionization yields typical IMS‐MS 2D maps that permit the conformational dynamics of synthetic polymer chains to be described as a function of their length.

show abstract

“…67,68 Although each of these ionization systems has its individual advantages and drawbacks, metal ions have been their main support in the analysis of various polymers by the formation of [M + anion] nÀ and [M + cation] n+ adducts, which led to the improvement of mass spectrometry performance for their analyses. [69][70][71][72][73][74][75][76][77][78][79] It was found that the type and the addition amount of metal salts have pronounced inuences.…”

Section: Metal Salt-assisted Different Ionization Systemsmentioning

confidence: 99%

Progress on the development of a metal salt-assisted ionization source for the mass spectrometric analysis of polymers

Muyizere

Mukiza

2022

Anal. Methods

View full text Add to dashboard Cite

show abstract

Alkali metal cation adduct effect on polybutylene adipate oligomers: Ion mobility-mass spectrometry

Cited by 12 publications

References 38 publications

Using Ion Mobility–Mass Spectrometry to Extract Physicochemical Enthalpic and Entropic Contributions from Synthetic Polymers

Using Ion Mobility–Mass Spectrometry to Extract Physicochemical Enthalpic and Entropic Contributions from Synthetic Polymers

Ion mobility spectrometry – Mass spectrometry coupling for synthetic polymers

Progress on the development of a metal salt-assisted ionization source for the mass spectrometric analysis of polymers

Contact Info

Product

Resources

About