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Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics

This paper investigated the feasibility of Fourier transform infrared transmission (FT-IR) spectroscopy to detect talcum powder illegally added in tea based on chemometric methods. Firstly, 210 samples of tea powder with 13 dose levels of talcum powder were prepared for FT-IR spectra acquirement. In...

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Autores principales: Li, Xiaoli, Zhang, Yuying, He, Yong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4965860/
https://www.ncbi.nlm.nih.gov/pubmed/27468701
http://dx.doi.org/10.1038/srep30313
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author Li, Xiaoli
Zhang, Yuying
He, Yong
author_facet Li, Xiaoli
Zhang, Yuying
He, Yong
author_sort Li, Xiaoli
collection PubMed
description This paper investigated the feasibility of Fourier transform infrared transmission (FT-IR) spectroscopy to detect talcum powder illegally added in tea based on chemometric methods. Firstly, 210 samples of tea powder with 13 dose levels of talcum powder were prepared for FT-IR spectra acquirement. In order to highlight the slight variations in FT-IR spectra, smoothing, normalize and standard normal variate (SNV) were employed to preprocess the raw spectra. Among them, SNV preprocessing had the best performance with high correlation of prediction (R(P) = 0.948) and low root mean square error of prediction (RMSEP = 0.108) of partial least squares (PLS) model. Then 18 characteristic wavenumbers were selected based on a hybrid of backward interval partial least squares (biPLS) regression, competitive adaptive reweighted sampling (CARS) algorithm and successive projections algorithm (SPA). These characteristic wavenumbers only accounted for 0.64% of the full wavenumbers. Following that, 18 characteristic wavenumbers were used to build linear and nonlinear determination models by PLS regression and extreme learning machine (ELM), respectively. The optimal model with R(P) = 0.963 and RMSEP = 0.137 was achieved by ELM algorithm. These results demonstrated that FT-IR spectroscopy with chemometrics could be used successfully to detect talcum powder in tea.
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spelling pubmed-49658602016-08-08 Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics Li, Xiaoli Zhang, Yuying He, Yong Sci Rep Article This paper investigated the feasibility of Fourier transform infrared transmission (FT-IR) spectroscopy to detect talcum powder illegally added in tea based on chemometric methods. Firstly, 210 samples of tea powder with 13 dose levels of talcum powder were prepared for FT-IR spectra acquirement. In order to highlight the slight variations in FT-IR spectra, smoothing, normalize and standard normal variate (SNV) were employed to preprocess the raw spectra. Among them, SNV preprocessing had the best performance with high correlation of prediction (R(P) = 0.948) and low root mean square error of prediction (RMSEP = 0.108) of partial least squares (PLS) model. Then 18 characteristic wavenumbers were selected based on a hybrid of backward interval partial least squares (biPLS) regression, competitive adaptive reweighted sampling (CARS) algorithm and successive projections algorithm (SPA). These characteristic wavenumbers only accounted for 0.64% of the full wavenumbers. Following that, 18 characteristic wavenumbers were used to build linear and nonlinear determination models by PLS regression and extreme learning machine (ELM), respectively. The optimal model with R(P) = 0.963 and RMSEP = 0.137 was achieved by ELM algorithm. These results demonstrated that FT-IR spectroscopy with chemometrics could be used successfully to detect talcum powder in tea. Nature Publishing Group 2016-07-29 /pmc/articles/PMC4965860/ /pubmed/27468701 http://dx.doi.org/10.1038/srep30313 Text en Copyright © 2016, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Li, Xiaoli
Zhang, Yuying
He, Yong
Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics
title Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics
title_full Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics
title_fullStr Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics
title_full_unstemmed Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics
title_short Rapid detection of talcum powder in tea using FT-IR spectroscopy coupled with chemometrics
title_sort rapid detection of talcum powder in tea using ft-ir spectroscopy coupled with chemometrics
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4965860/
https://www.ncbi.nlm.nih.gov/pubmed/27468701
http://dx.doi.org/10.1038/srep30313
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