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Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer

Near-infrared (NIR) spectroscopy was applied for the determination of total soluble solid contents (SSC) of single Ruby Seedless grape berries using both benchtop Fourier transform (VECTOR 22/N) and portable grating scanning (SupNIR-1500) spectrometers in this study. The results showed that the best...

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Autores principales: Xiao, Hui, Sun, Ke, Sun, Ye, Wei, Kangli, Tu, Kang, Pan, Leiqing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5712889/
https://www.ncbi.nlm.nih.gov/pubmed/29165336
http://dx.doi.org/10.3390/s17112693
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author Xiao, Hui
Sun, Ke
Sun, Ye
Wei, Kangli
Tu, Kang
Pan, Leiqing
author_facet Xiao, Hui
Sun, Ke
Sun, Ye
Wei, Kangli
Tu, Kang
Pan, Leiqing
author_sort Xiao, Hui
collection PubMed
description Near-infrared (NIR) spectroscopy was applied for the determination of total soluble solid contents (SSC) of single Ruby Seedless grape berries using both benchtop Fourier transform (VECTOR 22/N) and portable grating scanning (SupNIR-1500) spectrometers in this study. The results showed that the best SSC prediction was obtained by VECTOR 22/N in the range of 12,000 to 4000 cm(−1) (833–2500 nm) for Ruby Seedless with determination coefficient of prediction (R(p)(2)) of 0.918, root mean squares error of prediction (RMSEP) of 0.758% based on least squares support vector machine (LS-SVM). Calibration transfer was conducted on the same spectral range of two instruments (1000–1800 nm) based on the LS-SVM model. By conducting Kennard-Stone (KS) to divide sample sets, selecting the optimal number of standardization samples and applying Passing-Bablok regression to choose the optimal instrument as the master instrument, a modified calibration transfer method between two spectrometers was developed. When 45 samples were selected for the standardization set, the linear interpolation-piecewise direct standardization (linear interpolation-PDS) performed well for calibration transfer with R(p)(2) of 0.857 and RMSEP of 1.099% in the spectral region of 1000–1800 nm. And it was proved that re-calculating the standardization samples into master model could improve the performance of calibration transfer in this study. This work indicated that NIR could be used as a rapid and non-destructive method for SSC prediction, and provided a feasibility to solve the transfer difficulty between totally different NIR spectrometers.
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spelling pubmed-57128892017-12-07 Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer Xiao, Hui Sun, Ke Sun, Ye Wei, Kangli Tu, Kang Pan, Leiqing Sensors (Basel) Article Near-infrared (NIR) spectroscopy was applied for the determination of total soluble solid contents (SSC) of single Ruby Seedless grape berries using both benchtop Fourier transform (VECTOR 22/N) and portable grating scanning (SupNIR-1500) spectrometers in this study. The results showed that the best SSC prediction was obtained by VECTOR 22/N in the range of 12,000 to 4000 cm(−1) (833–2500 nm) for Ruby Seedless with determination coefficient of prediction (R(p)(2)) of 0.918, root mean squares error of prediction (RMSEP) of 0.758% based on least squares support vector machine (LS-SVM). Calibration transfer was conducted on the same spectral range of two instruments (1000–1800 nm) based on the LS-SVM model. By conducting Kennard-Stone (KS) to divide sample sets, selecting the optimal number of standardization samples and applying Passing-Bablok regression to choose the optimal instrument as the master instrument, a modified calibration transfer method between two spectrometers was developed. When 45 samples were selected for the standardization set, the linear interpolation-piecewise direct standardization (linear interpolation-PDS) performed well for calibration transfer with R(p)(2) of 0.857 and RMSEP of 1.099% in the spectral region of 1000–1800 nm. And it was proved that re-calculating the standardization samples into master model could improve the performance of calibration transfer in this study. This work indicated that NIR could be used as a rapid and non-destructive method for SSC prediction, and provided a feasibility to solve the transfer difficulty between totally different NIR spectrometers. MDPI 2017-11-22 /pmc/articles/PMC5712889/ /pubmed/29165336 http://dx.doi.org/10.3390/s17112693 Text en © 2017 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Xiao, Hui
Sun, Ke
Sun, Ye
Wei, Kangli
Tu, Kang
Pan, Leiqing
Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer
title Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer
title_full Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer
title_fullStr Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer
title_full_unstemmed Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer
title_short Comparison of Benchtop Fourier-Transform (FT) and Portable Grating Scanning Spectrometers for Determination of Total Soluble Solid Contents in Single Grape Berry (Vitis vinifera L.) and Calibration Transfer
title_sort comparison of benchtop fourier-transform (ft) and portable grating scanning spectrometers for determination of total soluble solid contents in single grape berry (vitis vinifera l.) and calibration transfer
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5712889/
https://www.ncbi.nlm.nih.gov/pubmed/29165336
http://dx.doi.org/10.3390/s17112693
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