Is core consistency a too conservative diagnostic?

Halberg, Helene Fog Froriep; Bevilacqua, Marta; Rinnan, Åsmund

doi:10.1002/cem.3483

Cited by 4 publications

(1 citation statement)

References 28 publications

(84 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The core consistency value is almost 100% if the PARAFAC model is valid. Core consistency will be negative (or even very close to zero) if a trilinear model is unable to adequately describe the data or if there are too many components being fitted [32].…”

Section: Construction and Validation Of The Parafac Modelmentioning

confidence: 99%

Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques

Ingwani,

Chaukura,

Mamba

et al. 2023

Molecules

View full text Add to dashboard Cite

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.

show abstract

Section: Construction and Validation Of The Parafac Modelmentioning

confidence: 99%

Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques

Ingwani,

Chaukura,

Mamba

et al. 2023

Molecules

View full text Add to dashboard Cite

show abstract

Feasibility of excitation‐emission fluorescence spectroscopy in tandem with chemometrics for quantitation of trans‐resveratrol in vine‐shoot ethanolic extracts

Caputi,

Squeo,

Sikorska

et al. 2024

J Sci Food Agric

View full text Add to dashboard Cite

BackgroundTrans‐resveratrol (TR) is a well‐known phytochemical compound with important biological properties, that could be recovered from agri‐food by‐products or wastes, such as vine shoots. Once recovered, its concentration should be measured, possibly in a green, non‐destructive, and efficient manner. With these premises, this work aims to explore the feasibility of excitation‐emission fluorescence spectroscopy combined with chemometrics for the analysis of TR in raw extracts obtained from vine shoots. A total of 75 extracts were produced and analysed by UPLC‐DAD and spectrofluorimetry. Then, the feasibility of two calibration strategies (a PARAFAC based calibration and the NPLS regression) for TR quantitation was assessed.ResultsThe extracts showed a variable content of TR, whose excitation/emission maxima were at around 305/390 nm, respectively. The best PARAFAC based calibration allows to obtain a RMSEP = 22.57 mg L‐1, and an RPD = 2.91 but a large number of PARAFAC components should be considered to improve the predictions. The results of the NPLS regression were slightly better, with a RMSEP = 19.47 mg L‐1, and an RPD = 3.33, in the best case.ConclusionFluorescence could be an alternative analytical technique to measure TR in complex samples. Chemometrics tools allowed the identification of the TR signal in the fluorescence landscapes that could be further used for its non‐destructive quantitation. The needing of a more accurate criterion for the optimal PARAFAC complexity emerged.This article is protected by copyright. All rights reserved.

show abstract

Resolving fluorescence spectra of Maillard reaction products formed on bovine serum albumin using parallel factor analysis

Risum,

Bevilacqua,

et al. 2024

Food Research International

View full text Add to dashboard Cite

Is core consistency a too conservative diagnostic?

Cited by 4 publications

References 28 publications

Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques

Detection and Quantification of Bisphenol A in Surface Water Using Absorbance–Transmittance and Fluorescence Excitation–Emission Matrices (A-TEEM) Coupled with Multiway Techniques

Feasibility of excitation‐emission fluorescence spectroscopy in tandem with chemometrics for quantitation of trans‐resveratrol in vine‐shoot ethanolic extracts

Resolving fluorescence spectra of Maillard reaction products formed on bovine serum albumin using parallel factor analysis

Contact Info

Product

Resources

About