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Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics

This study proposes a simple approach for the recognition of polyamide 6.9 samples differing in impurity amounts and viscosities (modulated during the synthesis), which are parameters plausibly variable in polymers’ manufacturing processes. Infrared spectroscopy (ATR-FTIR) was combined with chemomet...

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Autores principales: Tummino, Maria Laura, Chrimatopoulos, Christoforos, Bertolla, Maddalena, Tonetti, Cinzia, Sakkas, Vasilios
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10420875/
https://www.ncbi.nlm.nih.gov/pubmed/37571060
http://dx.doi.org/10.3390/polym15153166
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author Tummino, Maria Laura
Chrimatopoulos, Christoforos
Bertolla, Maddalena
Tonetti, Cinzia
Sakkas, Vasilios
author_facet Tummino, Maria Laura
Chrimatopoulos, Christoforos
Bertolla, Maddalena
Tonetti, Cinzia
Sakkas, Vasilios
author_sort Tummino, Maria Laura
collection PubMed
description This study proposes a simple approach for the recognition of polyamide 6.9 samples differing in impurity amounts and viscosities (modulated during the synthesis), which are parameters plausibly variable in polymers’ manufacturing processes. Infrared spectroscopy (ATR-FTIR) was combined with chemometrics, applying statistical methods to experimental data. Both non-supervised and supervised methods have been used (PCA and PLS-DA), and a predictive model that could assess the polyamide type of unknown samples was created. Chemometric tools led to a satisfying degree of discrimination among samples, and the predictive model resulted in a great classification of unknown samples with an accuracy of 88.89%. Traditional physical-chemical characterizations (such as thermal and mechanical tests) showed their limits in the univocal identification of sample types, and additionally, they resulted in time-consuming procedures and specimen destruction. The spectral modifications have been investigated to understand the main signals that are more likely to affect the discrimination process. The proposed hybrid methodology represents a potential support for quality control activities within the production sector, especially when the spectra of compounds with the same nominal composition show almost identical signals.
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spelling pubmed-104208752023-08-12 Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics Tummino, Maria Laura Chrimatopoulos, Christoforos Bertolla, Maddalena Tonetti, Cinzia Sakkas, Vasilios Polymers (Basel) Article This study proposes a simple approach for the recognition of polyamide 6.9 samples differing in impurity amounts and viscosities (modulated during the synthesis), which are parameters plausibly variable in polymers’ manufacturing processes. Infrared spectroscopy (ATR-FTIR) was combined with chemometrics, applying statistical methods to experimental data. Both non-supervised and supervised methods have been used (PCA and PLS-DA), and a predictive model that could assess the polyamide type of unknown samples was created. Chemometric tools led to a satisfying degree of discrimination among samples, and the predictive model resulted in a great classification of unknown samples with an accuracy of 88.89%. Traditional physical-chemical characterizations (such as thermal and mechanical tests) showed their limits in the univocal identification of sample types, and additionally, they resulted in time-consuming procedures and specimen destruction. The spectral modifications have been investigated to understand the main signals that are more likely to affect the discrimination process. The proposed hybrid methodology represents a potential support for quality control activities within the production sector, especially when the spectra of compounds with the same nominal composition show almost identical signals. MDPI 2023-07-26 /pmc/articles/PMC10420875/ /pubmed/37571060 http://dx.doi.org/10.3390/polym15153166 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Tummino, Maria Laura
Chrimatopoulos, Christoforos
Bertolla, Maddalena
Tonetti, Cinzia
Sakkas, Vasilios
Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics
title Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics
title_full Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics
title_fullStr Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics
title_full_unstemmed Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics
title_short Configuration of a Simple Method for Different Polyamides 6.9 Recognition by ATR-FTIR Analysis Coupled with Chemometrics
title_sort configuration of a simple method for different polyamides 6.9 recognition by atr-ftir analysis coupled with chemometrics
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10420875/
https://www.ncbi.nlm.nih.gov/pubmed/37571060
http://dx.doi.org/10.3390/polym15153166
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