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...

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Main Authors: Katarzyna Sujka, Piotr Koczoń, Alicja Ceglińska, Magdalena Reder, Hanna Ciemniewska-Żytkiewicz
Format: Article
Language:English
Published: Hindawi Limited 2017-01-01
Series:Journal of Analytical Methods in Chemistry
Online Access:http://dx.doi.org/10.1155/2017/4315678
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spelling doaj-9f9211b7ce184c5f9e77d49888818aa52020-11-25T02:46:55ZengHindawi LimitedJournal of Analytical Methods in Chemistry2090-88652090-88732017-01-01201710.1155/2017/43156784315678The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish ProducersKatarzyna Sujka0Piotr Koczoń1Alicja Ceglińska2Magdalena Reder3Hanna Ciemniewska-Żytkiewicz4Department of Chemistry, Faculty of Food Sciences, Warsaw University of Life Sciences, Nowoursynowska 159 C, 02-787 Warsaw, PolandDepartment of Chemistry, Faculty of Food Sciences, Warsaw University of Life Sciences, Nowoursynowska 159 C, 02-787 Warsaw, PolandDepartment of Food Technology, Faculty of Food Sciences, Warsaw University of Life Sciences, Nowoursynowska 159 C, 02-787 Warsaw, PolandDepartment of Chemistry, Faculty of Food Sciences, Warsaw University of Life Sciences, Nowoursynowska 159 C, 02-787 Warsaw, PolandDepartment of Chemistry, Faculty of Food Sciences, Warsaw University of Life Sciences, Nowoursynowska 159 C, 02-787 Warsaw, PolandSamples 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: R2=0.97, PRESS = 2.14; R2=0.96, PRESS = 0.69; R2=0.95, PRESS = 1.27; R2=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 (R2=0.86; 0.82; and 0.78, resp.).http://dx.doi.org/10.1155/2017/4315678
collection DOAJ
language English
format Article
sources DOAJ
author Katarzyna Sujka
Piotr Koczoń
Alicja Ceglińska
Magdalena Reder
Hanna Ciemniewska-Żytkiewicz
spellingShingle Katarzyna Sujka
Piotr Koczoń
Alicja Ceglińska
Magdalena Reder
Hanna Ciemniewska-Żytkiewicz
The Application of FT-IR Spectroscopy for Quality Control of Flours Obtained from Polish Producers
Journal of Analytical Methods in Chemistry
author_facet Katarzyna Sujka
Piotr Koczoń
Alicja Ceglińska
Magdalena Reder
Hanna Ciemniewska-Żytkiewicz
author_sort Katarzyna Sujka
title 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_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_sort application of ft-ir spectroscopy for quality control of flours obtained from polish producers
publisher Hindawi Limited
series Journal of Analytical Methods in Chemistry
issn 2090-8865
2090-8873
publishDate 2017-01-01
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: R2=0.97, PRESS = 2.14; R2=0.96, PRESS = 0.69; R2=0.95, PRESS = 1.27; R2=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 (R2=0.86; 0.82; and 0.78, resp.).
url http://dx.doi.org/10.1155/2017/4315678
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