Journal
MOLECULES
Volume 28, Issue 9, Pages -Publisher
MDPI
DOI: 10.3390/molecules28093695
Keywords
adulteration; chemometrics; PCA; SVM; PLSR; omega-3 fatty acids; marine lipid; vibrational spectroscopy; Raman spectroscopy; infrared spectroscopy; low level data fusion
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Raman and infrared spectroscopy were used to identify and quantify adulterants in krill oil. Raman spectroscopy performed better than IR spectroscopy for quantification of certain adulterants. A data fusion approach further improved the analysis. This study demonstrates the potential use of Raman and IR spectroscopy for adulterant quantification in krill oil.
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; ?-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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