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Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods

Raman and infrared spectroscopy, used as individual and low-level fused datasets, were evaluated to identify and quantify the presence of adulterants (palm oil, PO; ω-3 concentrates in ethyl ester, O3C and fish oil, FO) in krill oil. These datasets were qualitatively analysed with principal componen...

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Autores principales: Ahmmed, Fatema, Gordon, Keith C., Killeen, Daniel P., Fraser-Miller, Sara J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180486/
https://www.ncbi.nlm.nih.gov/pubmed/37175105
http://dx.doi.org/10.3390/molecules28093695
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author Ahmmed, Fatema
Gordon, Keith C.
Killeen, Daniel P.
Fraser-Miller, Sara J.
author_facet Ahmmed, Fatema
Gordon, Keith C.
Killeen, Daniel P.
Fraser-Miller, Sara J.
author_sort Ahmmed, Fatema
collection PubMed
description Raman and infrared spectroscopy, used as individual and low-level fused datasets, were evaluated to identify and quantify the presence of adulterants (palm oil, PO; ω-3 concentrates in ethyl ester, O3C and fish oil, FO) in krill oil. These datasets were qualitatively analysed with principal component analysis (PCA) and classified as adulterated or unadulterated using support vector machines (SVM). Using partial least squares regression (PLSR), it was possible to identify and quantify the adulterant present in the KO mixture. Raman spectroscopy performed better (r(2) = 0.98; RMSEP = 2.3%) than IR spectroscopy (r(2) = 0.91; RMSEP = 4.2%) for quantification of O3C in KO. A data fusion approach further improved the analysis with model performance for quantification of PO (r(2) = 0.98; RMSEP = 2.7%) and FO (r(2) = 0.76; RMSEP = 9.1%). This study demonstrates the potential use of Raman and IR spectroscopy to quantify adulterants present in KO.
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spelling pubmed-101804862023-05-13 Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods Ahmmed, Fatema Gordon, Keith C. Killeen, Daniel P. Fraser-Miller, Sara J. Molecules Article Raman and infrared spectroscopy, used as individual and low-level fused datasets, were evaluated to identify and quantify the presence of adulterants (palm oil, PO; ω-3 concentrates in ethyl ester, O3C and fish oil, FO) in krill oil. These datasets were qualitatively analysed with principal component analysis (PCA) and classified as adulterated or unadulterated using support vector machines (SVM). Using partial least squares regression (PLSR), it was possible to identify and quantify the adulterant present in the KO mixture. Raman spectroscopy performed better (r(2) = 0.98; RMSEP = 2.3%) than IR spectroscopy (r(2) = 0.91; RMSEP = 4.2%) for quantification of O3C in KO. A data fusion approach further improved the analysis with model performance for quantification of PO (r(2) = 0.98; RMSEP = 2.7%) and FO (r(2) = 0.76; RMSEP = 9.1%). This study demonstrates the potential use of Raman and IR spectroscopy to quantify adulterants present in KO. MDPI 2023-04-25 /pmc/articles/PMC10180486/ /pubmed/37175105 http://dx.doi.org/10.3390/molecules28093695 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
Ahmmed, Fatema
Gordon, Keith C.
Killeen, Daniel P.
Fraser-Miller, Sara J.
Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods
title Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods
title_full Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods
title_fullStr Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods
title_full_unstemmed Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods
title_short Detection and Quantification of Adulteration in Krill Oil with Raman and Infrared Spectroscopic Methods
title_sort detection and quantification of adulteration in krill oil with raman and infrared spectroscopic methods
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180486/
https://www.ncbi.nlm.nih.gov/pubmed/37175105
http://dx.doi.org/10.3390/molecules28093695
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