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
TL;DR
This paper shows how tandem mass spectrometry can be used to determine the block-length distribution of copolymers, offering more detailed insights than traditional methods.
Contribution
A new algorithm was developed to determine copolymer block-length distributions from MS/MS fragmentation data.
Findings
The algorithm successfully derived block-length distributions that matched NMR results.
Distinct synthesis methods produced discernible trends in block-length distributions.
The method provides detailed insights into copolymer chemistry and functional properties.
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 13C NMR. The newly developed algorithm enabled the characterization of BLDs based on MS/MS data. Typical trends in BLDs corresponding to distinct synthesis methods were discernible. These…
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Taxonomy
TopicsMass Spectrometry Techniques and Applications · Ion-surface interactions and analysis · Analytical Chemistry and Chromatography