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New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples

Excitation–emission matrix (EEM) fluorescence spectroscopy has been applied to many fields. In this study, a simple method was proposed to obtain the new constructed three-dimensional (3D) EEM spectra based on the original EEM spectra. Then, the application of the N-PLS method to the new constructed...

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Autores principales: Li, Zeying, Feng, Na, Li, Xinkang, Lin, Yuan, Zhang, Xiangzhi, Li, Baoqiong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9740148/
https://www.ncbi.nlm.nih.gov/pubmed/36500471
http://dx.doi.org/10.3390/molecules27238378
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author Li, Zeying
Feng, Na
Li, Xinkang
Lin, Yuan
Zhang, Xiangzhi
Li, Baoqiong
author_facet Li, Zeying
Feng, Na
Li, Xinkang
Lin, Yuan
Zhang, Xiangzhi
Li, Baoqiong
author_sort Li, Zeying
collection PubMed
description Excitation–emission matrix (EEM) fluorescence spectroscopy has been applied to many fields. In this study, a simple method was proposed to obtain the new constructed three-dimensional (3D) EEM spectra based on the original EEM spectra. Then, the application of the N-PLS method to the new constructed 3D EEM spectra was proposed to quantify target compounds in two complex data sets. The quantitative models were established on external sample sets and validated using statistical parameters. For validation purposes, the obtained results were compared with those obtained by applying the N-PLS method to the original EEM spectra and applying the PLS method to the extracted maximum spectra in the concatenated mode. The comparison of the results demonstrated that, given the advantages of less useless information and a high calculating speed of the new constructed 3D EEM spectra, N-PLS on the new constructed 3D EEM spectra obtained better quantitative analysis results with a correlation coefficient of prediction above 0.9906 and recovery values in the range of 85.6–95.6%. Therefore, one can conclude that the N-PLS method combined with the new constructed 3D EEM spectra is expected to be broadened as an alternative strategy for the simultaneous determination of multiple target compounds.
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spelling pubmed-97401482022-12-11 New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples Li, Zeying Feng, Na Li, Xinkang Lin, Yuan Zhang, Xiangzhi Li, Baoqiong Molecules Article Excitation–emission matrix (EEM) fluorescence spectroscopy has been applied to many fields. In this study, a simple method was proposed to obtain the new constructed three-dimensional (3D) EEM spectra based on the original EEM spectra. Then, the application of the N-PLS method to the new constructed 3D EEM spectra was proposed to quantify target compounds in two complex data sets. The quantitative models were established on external sample sets and validated using statistical parameters. For validation purposes, the obtained results were compared with those obtained by applying the N-PLS method to the original EEM spectra and applying the PLS method to the extracted maximum spectra in the concatenated mode. The comparison of the results demonstrated that, given the advantages of less useless information and a high calculating speed of the new constructed 3D EEM spectra, N-PLS on the new constructed 3D EEM spectra obtained better quantitative analysis results with a correlation coefficient of prediction above 0.9906 and recovery values in the range of 85.6–95.6%. Therefore, one can conclude that the N-PLS method combined with the new constructed 3D EEM spectra is expected to be broadened as an alternative strategy for the simultaneous determination of multiple target compounds. MDPI 2022-12-01 /pmc/articles/PMC9740148/ /pubmed/36500471 http://dx.doi.org/10.3390/molecules27238378 Text en © 2022 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
Li, Zeying
Feng, Na
Li, Xinkang
Lin, Yuan
Zhang, Xiangzhi
Li, Baoqiong
New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples
title New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples
title_full New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples
title_fullStr New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples
title_full_unstemmed New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples
title_short New Constructed EEM Spectra Combined with N-PLS Analysis Approach as an Effective Way to Determine Multiple Target Compounds in Complex Samples
title_sort new constructed eem spectra combined with n-pls analysis approach as an effective way to determine multiple target compounds in complex samples
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9740148/
https://www.ncbi.nlm.nih.gov/pubmed/36500471
http://dx.doi.org/10.3390/molecules27238378
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