Determination of Copolymer Block-Length Distributions Using Fragmentation Data Obtained from Tandem Mass Spectrometry.

Tijmen S Bos, Rick S van den Hurk, Ynze Mengerink, Ton Brooijmans, Ron A H Peters, Arian C van Asten, Bob W J Pirok

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Article in Macromolecules, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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7 authors.

Tijmen S BosAnalytical Chemistry Group, Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, 1098 XH, The Netherlands.ORCID https://orcid.org/0000-0002-0728-6385

Rick S van den HurkAnalytical Chemistry Group, Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, 1098 XH, The Netherlands.ORCID https://orcid.org/0000-0002-1334-0480

Ynze MengerinkBiomedical, DSM, Geleen 6160 BB, The Netherlands.

Ton BrooijmansGroup Innovation & Sustainability, Testing, Analytics and Physics Group, Covestro (Netherlands) B.V., Waalwijk 5145 PE, The Netherlands.

Ron A H PetersAnalytical Chemistry Group, Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, 1098 XH, The Netherlands.

Arian C van AstenAnalytical Chemistry Group, Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, 1098 XH, The Netherlands.

Bob W J PirokAnalytical Chemistry Group, Van 't Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, 1098 XH, The Netherlands.ORCID https://orcid.org/0000-0002-4558-3778

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The block-length distribution (BLD) of polyamide and polyurethane copolymers was determined from mass spectrometry (MS) data. While nuclear magnetic resonance (NMR) traditionally determines the number-average block length, this work demonstrates that MS/MS is a viable option for the characterization of the distribution. An algorithm was implemented and modified to accurately determine copolymer BLDs from fragmentation data. The algorithm incorporates preferences in bond fragmentation. Evaluation of the algorithm encompassed the use of polyamide and polyurethane model systems. In both scenarios, the algorithm successfully derived BLDs, that corresponded well with the average block lengths obtained with

Identifiers

PMID41769210

DOI10.1021/acs.macromol.5c00297

PMCPMC12257583

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