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Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units
The concept of a fractional base unit for the Kendrick mass defect (KMD) analysis of polymer ions is introduced for the first time. A fraction of the ethylene oxide (EO) repeat unit (namely EO/8) has been used for the KMD analysis of a poly(ethylene oxide) and found to amplify the variations of KMD...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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The Mass Spectrometry Society of Japan
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5447562/ https://www.ncbi.nlm.nih.gov/pubmed/28580221 http://dx.doi.org/10.5702/massspectrometry.A0055 |
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author | Fouquet, Thierry Sato, Hiroaki |
author_facet | Fouquet, Thierry Sato, Hiroaki |
author_sort | Fouquet, Thierry |
collection | PubMed |
description | The concept of a fractional base unit for the Kendrick mass defect (KMD) analysis of polymer ions is introduced for the first time. A fraction of the ethylene oxide (EO) repeat unit (namely EO/8) has been used for the KMD analysis of a poly(ethylene oxide) and found to amplify the variations of KMD between monoisotopic and (13)C isotopes, producing an isotopically resolved KMD plot at full scale when the KMD plot computed with EO is fuzzy. The expansion of the KMD dimension using a fractional base unit has then been successfully used to unequivocally discriminate all the distributions from a blend of poly(ethylene oxide)s in a high resolution KMD plot calculated with EO/3 as base unit. Extending the concept of fractional base units to other repeat units, the visualization of the co-oligomers from a poly(ethylene oxide-b-propylene oxide-b-ethylene oxide) triblock copolymer has been dramatically improved using a fraction of the propylene oxide repeat unit (namely PO/3) in an oligomer and isotope resolved plot. High resolution KMD plots were eventually calculated from tandem mass spectra of poly(dimethylsiloxane) ions using a fraction of the dimethylsiloxane (DMS) unit (namely DMS/6) with clearer point alignments and a discrimination of all the product ion series, out of reach of the KMD analysis using DMS. Versatile and producing high resolution KMD plots, the introduction of fractional base units is believed to be a major step towards the implementation of the KMD analysis as a routine data mining tool for mass spectrometry in polymer chemistry. |
format | Online Article Text |
id | pubmed-5447562 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | The Mass Spectrometry Society of Japan |
record_format | MEDLINE/PubMed |
spelling | pubmed-54475622017-06-02 Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units Fouquet, Thierry Sato, Hiroaki Mass Spectrom (Tokyo) Original Article The concept of a fractional base unit for the Kendrick mass defect (KMD) analysis of polymer ions is introduced for the first time. A fraction of the ethylene oxide (EO) repeat unit (namely EO/8) has been used for the KMD analysis of a poly(ethylene oxide) and found to amplify the variations of KMD between monoisotopic and (13)C isotopes, producing an isotopically resolved KMD plot at full scale when the KMD plot computed with EO is fuzzy. The expansion of the KMD dimension using a fractional base unit has then been successfully used to unequivocally discriminate all the distributions from a blend of poly(ethylene oxide)s in a high resolution KMD plot calculated with EO/3 as base unit. Extending the concept of fractional base units to other repeat units, the visualization of the co-oligomers from a poly(ethylene oxide-b-propylene oxide-b-ethylene oxide) triblock copolymer has been dramatically improved using a fraction of the propylene oxide repeat unit (namely PO/3) in an oligomer and isotope resolved plot. High resolution KMD plots were eventually calculated from tandem mass spectra of poly(dimethylsiloxane) ions using a fraction of the dimethylsiloxane (DMS) unit (namely DMS/6) with clearer point alignments and a discrimination of all the product ion series, out of reach of the KMD analysis using DMS. Versatile and producing high resolution KMD plots, the introduction of fractional base units is believed to be a major step towards the implementation of the KMD analysis as a routine data mining tool for mass spectrometry in polymer chemistry. The Mass Spectrometry Society of Japan 2017 2017-03-28 /pmc/articles/PMC5447562/ /pubmed/28580221 http://dx.doi.org/10.5702/massspectrometry.A0055 Text en Copyright © 2017 Thierry Fouquet and Hiroaki Sato. http://creativecommons.org/licenses/by-nc/3.0/ This is an open access article distributed under the terms of Creative Commons Attribution License, which permits use, distribution, and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes. For permission to reuse copyrighted content from this publication, please go to www.copyright.com (http://www.copyright.com) , or contact Copyright Clearance Center, 222 Rosewood Drive, Danvers, MA 01923 |
spellingShingle | Original Article Fouquet, Thierry Sato, Hiroaki Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units |
title | Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units |
title_full | Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units |
title_fullStr | Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units |
title_full_unstemmed | Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units |
title_short | Improving the Resolution of Kendrick Mass Defect Analysis for Polymer Ions with Fractional Base Units |
title_sort | improving the resolution of kendrick mass defect analysis for polymer ions with fractional base units |
topic | Original Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5447562/ https://www.ncbi.nlm.nih.gov/pubmed/28580221 http://dx.doi.org/10.5702/massspectrometry.A0055 |
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