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...

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Published in:Molecules (Basel, Switzerland) Switzerland), 2023-10, Vol.28 (20), p.7048
Main Authors: Ingwani, Thomas, Chaukura, Nhamo, Mamba, Bhekie B., Nkambule, Thabo T. I., Gilmore, Adam M.
Format: Article
Language:English
Subjects:
Algorithms
and validation
Aquatic resources
Bisphenol A
Calibration
Epoxy resins
Fluorescence
Literature reviews
method development
Methods
optimisation
parallel factor modelling
partial least squares modelling
Phenols
Polycarbonates
South Africa
Spectrum analysis
Surface water
Water pollution
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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 (R2 = 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 R2 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.
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I.</au><au>Gilmore, Adam M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques</atitle><jtitle>Molecules (Basel, Switzerland)</jtitle><date>2023-10-01</date><risdate>2023</risdate><volume>28</volume><issue>20</issue><spage>7048</spage><pages>7048-</pages><issn>1420-3049</issn><eissn>1420-3049</eissn><abstract>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. 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subjects Algorithms
and validation
Aquatic resources
Bisphenol A
Calibration
Epoxy resins
Fluorescence
Literature reviews
method development
Methods
optimisation
parallel factor modelling
partial least squares modelling
Phenols
Polycarbonates
South Africa
Spectrum analysis
Surface water
Water pollution
title Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques
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