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Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques
In the present protocol, we determined the presence and concentrations of bisphenol A (BPA) spiked in surface water samples using EEM fluorescence spectroscopy in conjunction with modelling using partial least squares (PLS) and parallel factor (PARAFAC). PARAFAC modelling of the EEM fluorescence dat...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10609475/ https://www.ncbi.nlm.nih.gov/pubmed/37894527 http://dx.doi.org/10.3390/molecules28207048 |
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author | Ingwani, Thomas Chaukura, Nhamo Mamba, Bhekie B. Nkambule, Thabo T. I. Gilmore, Adam M. |
author_facet | Ingwani, Thomas Chaukura, Nhamo Mamba, Bhekie B. Nkambule, Thabo T. I. Gilmore, Adam M. |
author_sort | Ingwani, Thomas |
collection | PubMed |
description | In the present protocol, we determined the presence and concentrations of bisphenol A (BPA) spiked in surface water samples using EEM fluorescence spectroscopy in conjunction with modelling using partial least squares (PLS) and parallel factor (PARAFAC). PARAFAC modelling of the EEM fluorescence data obtained from surface water samples contaminated with BPA unraveled four fluorophores including BPA. The best outcomes were obtained for BPA concentration (R(2) = 0.996; standard deviation to prediction error’s root mean square ratio (RPD) = 3.41; and a Pearson’s r value of 0.998). With these values of R(2) and Pearson’s r, the PLS model showed a strong correlation between the predicted and measured BPA concentrations. The detection and quantification limits of the method were 3.512 and 11.708 micro molar (µM), respectively. In conclusion, BPA can be precisely detected and its concentration in surface water predicted using the PARAFAC and PLS models developed in this study and fluorescence EEM data collected from BPA-contaminated water. It is necessary to spatially relate surface water contamination data with other datasets in order to connect drinking water quality issues with health, environmental restoration, and environmental justice concerns. |
format | Online Article Text |
id | pubmed-10609475 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-106094752023-10-28 Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques Ingwani, Thomas Chaukura, Nhamo Mamba, Bhekie B. Nkambule, Thabo T. I. Gilmore, Adam M. Molecules Article In the present protocol, we determined the presence and concentrations of bisphenol A (BPA) spiked in surface water samples using EEM fluorescence spectroscopy in conjunction with modelling using partial least squares (PLS) and parallel factor (PARAFAC). PARAFAC modelling of the EEM fluorescence data obtained from surface water samples contaminated with BPA unraveled four fluorophores including BPA. The best outcomes were obtained for BPA concentration (R(2) = 0.996; standard deviation to prediction error’s root mean square ratio (RPD) = 3.41; and a Pearson’s r value of 0.998). With these values of R(2) and Pearson’s r, the PLS model showed a strong correlation between the predicted and measured BPA concentrations. The detection and quantification limits of the method were 3.512 and 11.708 micro molar (µM), respectively. In conclusion, BPA can be precisely detected and its concentration in surface water predicted using the PARAFAC and PLS models developed in this study and fluorescence EEM data collected from BPA-contaminated water. It is necessary to spatially relate surface water contamination data with other datasets in order to connect drinking water quality issues with health, environmental restoration, and environmental justice concerns. MDPI 2023-10-12 /pmc/articles/PMC10609475/ /pubmed/37894527 http://dx.doi.org/10.3390/molecules28207048 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 Ingwani, Thomas Chaukura, Nhamo Mamba, Bhekie B. Nkambule, Thabo T. I. Gilmore, Adam M. Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques |
title | Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques |
title_full | Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques |
title_fullStr | Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques |
title_full_unstemmed | Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques |
title_short | Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques |
title_sort | detection and quantification of bisphenol a in surface water using absorbance–transmittance and fluorescence excitation–emission matrices (a-teem) coupled with multiway techniques |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10609475/ https://www.ncbi.nlm.nih.gov/pubmed/37894527 http://dx.doi.org/10.3390/molecules28207048 |
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