Cargando…
Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra
This study demonstrates the rapid and cost-effective possibility of quantifying adulterant amounts (corn flour or corn starch) in ground and dried garlic samples. Prepared mixtures with different concentrations of selected adulterant were effectively characterized using Fourier-transform near-infrar...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10528397/ https://www.ncbi.nlm.nih.gov/pubmed/37761086 http://dx.doi.org/10.3390/foods12183377 |
_version_ | 1785111259601960960 |
---|---|
author | Daszykowski, Michal Kula, Michal Stanimirova, Ivana |
author_facet | Daszykowski, Michal Kula, Michal Stanimirova, Ivana |
author_sort | Daszykowski, Michal |
collection | PubMed |
description | This study demonstrates the rapid and cost-effective possibility of quantifying adulterant amounts (corn flour or corn starch) in ground and dried garlic samples. Prepared mixtures with different concentrations of selected adulterant were effectively characterized using Fourier-transform near-infrared reflectance spectra (FT-NIR), and multivariate calibration models were developed using two methods: principal component regression (PCR) and partial least squares regression (PLSR). They were constructed for optimally preprocessed FT-NIR spectra, and PLSR models generally performed better regarding model fit and predictions than PCR. The optimal PLSR model, built to estimate the amount of corn flour present in the ground and dried garlic samples, was constructed for the first derivative spectra obtained after Savitzky–Golay smoothing (fifteen sampling points and polynomial of the second degree). It demonstrated root mean squared errors for calibration and validation samples equal to 1.8841 and 1.8844 (i.e., 1.88% concerning the calibration range), respectively, and coefficients of determination equal to 0.9955 and 0.9858. The optimal PLSR model constructed for spectra after inverse scattering correction to assess the amount of corn starch had root mean squared errors for calibration and validation samples equal to 1.7679 and 1.7812 (i.e., 1.77% and 1.78% concerning the calibration range), respectively, and coefficients of determination equal to 0.9961 and 0.9873. It was also possible to discriminate samples adulterated with corn flour or corn starch using partial least squares discriminant analysis (PLS-DA). The optimal PLS-DA model had a very high correct classification rate (99.66%), sensitivity (99.96%), and specificity (99.36%), calculated for external validation samples. Uncertainties of these figures of merit, estimated using the Monte Carlo validation approach, were relatively small. One-class classification partial least squares models, developed to detect the adulterant type, presented very optimistic sensitivity for validation samples (above 99%) but low specificity (64% and 45.33% for models recognizing corn flour or corn starch adulterants, respectively). Through experimental investigation, chemometric data analysis, and modeling, we have verified that the FT-NIR technique exhibits the required sensitivity to quantify adulteration in dried ground garlic, whether it involves corn flour or corn starch. |
format | Online Article Text |
id | pubmed-10528397 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-105283972023-09-28 Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra Daszykowski, Michal Kula, Michal Stanimirova, Ivana Foods Article This study demonstrates the rapid and cost-effective possibility of quantifying adulterant amounts (corn flour or corn starch) in ground and dried garlic samples. Prepared mixtures with different concentrations of selected adulterant were effectively characterized using Fourier-transform near-infrared reflectance spectra (FT-NIR), and multivariate calibration models were developed using two methods: principal component regression (PCR) and partial least squares regression (PLSR). They were constructed for optimally preprocessed FT-NIR spectra, and PLSR models generally performed better regarding model fit and predictions than PCR. The optimal PLSR model, built to estimate the amount of corn flour present in the ground and dried garlic samples, was constructed for the first derivative spectra obtained after Savitzky–Golay smoothing (fifteen sampling points and polynomial of the second degree). It demonstrated root mean squared errors for calibration and validation samples equal to 1.8841 and 1.8844 (i.e., 1.88% concerning the calibration range), respectively, and coefficients of determination equal to 0.9955 and 0.9858. The optimal PLSR model constructed for spectra after inverse scattering correction to assess the amount of corn starch had root mean squared errors for calibration and validation samples equal to 1.7679 and 1.7812 (i.e., 1.77% and 1.78% concerning the calibration range), respectively, and coefficients of determination equal to 0.9961 and 0.9873. It was also possible to discriminate samples adulterated with corn flour or corn starch using partial least squares discriminant analysis (PLS-DA). The optimal PLS-DA model had a very high correct classification rate (99.66%), sensitivity (99.96%), and specificity (99.36%), calculated for external validation samples. Uncertainties of these figures of merit, estimated using the Monte Carlo validation approach, were relatively small. One-class classification partial least squares models, developed to detect the adulterant type, presented very optimistic sensitivity for validation samples (above 99%) but low specificity (64% and 45.33% for models recognizing corn flour or corn starch adulterants, respectively). Through experimental investigation, chemometric data analysis, and modeling, we have verified that the FT-NIR technique exhibits the required sensitivity to quantify adulteration in dried ground garlic, whether it involves corn flour or corn starch. MDPI 2023-09-08 /pmc/articles/PMC10528397/ /pubmed/37761086 http://dx.doi.org/10.3390/foods12183377 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 Daszykowski, Michal Kula, Michal Stanimirova, Ivana Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra |
title | Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra |
title_full | Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra |
title_fullStr | Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra |
title_full_unstemmed | Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra |
title_short | Quantification and Detection of Ground Garlic Adulteration Using Fourier-Transform Near-Infrared Reflectance Spectra |
title_sort | quantification and detection of ground garlic adulteration using fourier-transform near-infrared reflectance spectra |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10528397/ https://www.ncbi.nlm.nih.gov/pubmed/37761086 http://dx.doi.org/10.3390/foods12183377 |
work_keys_str_mv | AT daszykowskimichal quantificationanddetectionofgroundgarlicadulterationusingfouriertransformnearinfraredreflectancespectra AT kulamichal quantificationanddetectionofgroundgarlicadulterationusingfouriertransformnearinfraredreflectancespectra AT stanimirovaivana quantificationanddetectionofgroundgarlicadulterationusingfouriertransformnearinfraredreflectancespectra |