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The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers
Samples of wheat, spelt, rye, and triticale flours produced by different Polish mills were studied by both classic chemical methods and FT-IR MIR spectroscopy. An attempt was made to statistically correlate FT-IR spectral data with reference data with regard to content of various components, for exa...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Hindawi Publishing Corporation
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5294222/ https://www.ncbi.nlm.nih.gov/pubmed/28243483 http://dx.doi.org/10.1155/2017/4315678 |
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author | Sujka, Katarzyna Koczoń, Piotr Ceglińska, Alicja Reder, Magdalena Ciemniewska-Żytkiewicz, Hanna |
author_facet | Sujka, Katarzyna Koczoń, Piotr Ceglińska, Alicja Reder, Magdalena Ciemniewska-Żytkiewicz, Hanna |
author_sort | Sujka, Katarzyna |
collection | PubMed |
description | Samples of wheat, spelt, rye, and triticale flours produced by different Polish mills were studied by both classic chemical methods and FT-IR MIR spectroscopy. An attempt was made to statistically correlate FT-IR spectral data with reference data with regard to content of various components, for example, proteins, fats, ash, and fatty acids as well as properties such as moisture, falling number, and energetic value. This correlation resulted in calibrated and validated statistical models for versatile evaluation of unknown flour samples. The calibration data set was used to construct calibration models with use of the CSR and the PLS with the leave one-out, cross-validation techniques. The calibrated models were validated with a validation data set. The results obtained confirmed that application of statistical models based on MIR spectral data is a robust, accurate, precise, rapid, inexpensive, and convenient methodology for determination of flour characteristics, as well as for detection of content of selected flour ingredients. The obtained models' characteristics were as follows: R(2) = 0.97, PRESS = 2.14; R(2) = 0.96, PRESS = 0.69; R(2) = 0.95, PRESS = 1.27; R(2) = 0.94, PRESS = 0.76, for content of proteins, lipids, ash, and moisture level, respectively. Best results of CSR models were obtained for protein, ash, and crude fat (R(2) = 0.86; 0.82; and 0.78, resp.). |
format | Online Article Text |
id | pubmed-5294222 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Hindawi Publishing Corporation |
record_format | MEDLINE/PubMed |
spelling | pubmed-52942222017-02-27 The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers Sujka, Katarzyna Koczoń, Piotr Ceglińska, Alicja Reder, Magdalena Ciemniewska-Żytkiewicz, Hanna J Anal Methods Chem Research Article Samples of wheat, spelt, rye, and triticale flours produced by different Polish mills were studied by both classic chemical methods and FT-IR MIR spectroscopy. An attempt was made to statistically correlate FT-IR spectral data with reference data with regard to content of various components, for example, proteins, fats, ash, and fatty acids as well as properties such as moisture, falling number, and energetic value. This correlation resulted in calibrated and validated statistical models for versatile evaluation of unknown flour samples. The calibration data set was used to construct calibration models with use of the CSR and the PLS with the leave one-out, cross-validation techniques. The calibrated models were validated with a validation data set. The results obtained confirmed that application of statistical models based on MIR spectral data is a robust, accurate, precise, rapid, inexpensive, and convenient methodology for determination of flour characteristics, as well as for detection of content of selected flour ingredients. The obtained models' characteristics were as follows: R(2) = 0.97, PRESS = 2.14; R(2) = 0.96, PRESS = 0.69; R(2) = 0.95, PRESS = 1.27; R(2) = 0.94, PRESS = 0.76, for content of proteins, lipids, ash, and moisture level, respectively. Best results of CSR models were obtained for protein, ash, and crude fat (R(2) = 0.86; 0.82; and 0.78, resp.). Hindawi Publishing Corporation 2017 2017-01-22 /pmc/articles/PMC5294222/ /pubmed/28243483 http://dx.doi.org/10.1155/2017/4315678 Text en Copyright © 2017 Katarzyna Sujka et al. https://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Article Sujka, Katarzyna Koczoń, Piotr Ceglińska, Alicja Reder, Magdalena Ciemniewska-Żytkiewicz, Hanna The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers |
title | The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers |
title_full | The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers |
title_fullStr | The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers |
title_full_unstemmed | The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers |
title_short | The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers |
title_sort | application of ft-ir spectroscopy for quality control of flours obtained from polish producers |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5294222/ https://www.ncbi.nlm.nih.gov/pubmed/28243483 http://dx.doi.org/10.1155/2017/4315678 |
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