# Thermogravimetry-Synchronized, Reference-Free Quantitative Mass Spectrometry for Accurate Compositional Analysis of Polymer Systems Without Prior Knowledge of Constituents

https://mdr.nims.go.jp/datasets/8a3cc19c-df90-459e-9fd5-c0d7ebedc1bb

## Files

- [TGMS_Analyst.pdf](https://mdr.nims.go.jp/filesets/885baa06-a28c-4d05-be27-d6c9f6b60338/download) ([Detail](https://mdr.nims.go.jp/filesets/885baa06-a28c-4d05-be27-d6c9f6b60338.md))
- [SI_TG-RQMS.pdf](https://mdr.nims.go.jp/filesets/475acfe6-f97f-498a-a909-61d9145a3186/download) ([Detail](https://mdr.nims.go.jp/filesets/475acfe6-f97f-498a-a909-61d9145a3186.md))

## Id

8a3cc19c-df90-459e-9fd5-c0d7ebedc1bb

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-07-21T08:41:13.207096Z

## Updated at

2024-07-22T07:30:24.582634Z

## Published at

2024-07-22T07:30:25.100003Z

## Doi



## First published url

https://doi.org/10.1039/D4AN00624K

## Date published

2024-06-26

## Recorded date published

2024-8-19

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Thermogravimetry-Synchronized, Reference-Free Quantitative Mass Spectrometry
    for Accurate Compositional Analysis of Polymer Systems Without Prior Knowledge
    of Constituents
  title_type: original
  lang: en

## Description

- description: Compositional analysis (CA)—identification and quantification of the
    system constituents—is the most fundamental and decisive approach to investigate
    the system of interest. Pyrolysis mass spectrometry (MS) with high resolution
    over 10,000 is very effective for chemical identification and directly applicable
    to polymer materials regardless of their solubilities; however, it is less helpful
    for quantification especially when the references, i.e., pure constituents, are
    unknown, non-isolable and thus unpreparable. To compensate this weakness, herein
    we propose reference-free quantitative mass spectrometry (RQMS) with enhanced
    quantification accuracy assisted by synchronized thermogravimetry (TG). The key
    to success lies in correlating the instantaneous weight loss from TG with MS signal,
    enabling the quantitative evaluation of the distinct ionization efficiency for
    each fragment individually. The determined ionization efficiencies allow conversion
    of MS signal intensities of pyrolyzed fragments into weight abundances. In a benchmark
    test using ternary polymer systems, this new framework named TG-RQMS demonstrates
    accurate CA within ±1.3 wt% errors without using any knowledge nor spectra of
    the references. This simple yet accurate and versatile CA method would be an invaluable
    tool to investigate polymer materials whose composition is hardly accessible via
    other analytical methods.
  description_type: abstract
  lang: eng

## Creator

- name: Yusuke Hibi
  role: author
  orcid: https://orcid.org/0000-0003-4006-1070
  organization: National Institute for Materials Science
  department: Research Center for Macromolecules and Biomaterials/Macromolecules Field/Data-driven
    Polymer Design Group
  ror: https://ror.org/026v1ze26
- name: Shiho Uesaka
  role: author
  organization: National Institute for Materials Science
  department: Research Center for Macromolecules and Biomaterials/Macromolecules Field/Data-driven
    Polymer Design Group
  ror: https://ror.org/026v1ze26
- name: Masanobu Naito
  role: author
  orcid: https://orcid.org/0000-0001-7198-819X
  organization: National Institute for Materials Science
  department: Research Center for Macromolecules and Biomaterials/Macromolecules Field/Data-driven
    Polymer Design Group
  ror: https://ror.org/026v1ze26

## Contact agent



## Publisher

organization: Royal Society of Chemistry

## Managing organization



## Keyword

- subject: TG-MS
  schema: not_defined
- subject: reference-free quantitative mass spectrometry
  schema: not_defined
- subject: compositional analysis
  schema: not_defined
- subject: pyrolysis-MS
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: ANALYST
  issn: '00032654'

## Conference



## Related item



## Funding

- identifier: JSPS KAKENHI Grant NumberJP24K08520
  funder_name: JSPS
  description: ポリマーシークエンサーを基軸とした配列工学の確立
- identifier: JPMJCR19J3
  funder_name: JST

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 885baa06-a28c-4d05-be27-d6c9f6b60338
  filename: TGMS_Analyst.pdf
  content_type: application/pdf
  size: 1281838
  md5: dd521620f2502489d1d851db03785c16
- id: 475acfe6-f97f-498a-a909-61d9145a3186
  filename: SI_TG-RQMS.pdf
  content_type: application/pdf
  size: 660137
  md5: 3d7682c9cb6d041839bc2a5f99948357

## Thumbnail

fileset_id: 475acfe6-f97f-498a-a909-61d9145a3186
filename: SI_TG-RQMS.pdf