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

Author:

Ahmmed Fatema1,Gordon Keith C.1ORCID,Killeen Daniel P.2ORCID,Fraser-Miller Sara J.1ORCID

Affiliation:

1. Te Whai Ao-Dodd-Walls Centre for Photonic and Quantum Technologies, Department of Chemistry, University of Otago, P.O. Box 56, Dunedin 9016, New Zealand

2. The New Zealand Institute for Plant and Food Research Limited, P.O. Box 5114, Port Nelson, Nelson 7043, New Zealand

Abstract

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 (r2 = 0.98; RMSEP = 2.3%) than IR spectroscopy (r2 = 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 (r2 = 0.98; RMSEP = 2.7%) and FO (r2 = 0.76; RMSEP = 9.1%). This study demonstrates the potential use of Raman and IR spectroscopy to quantify adulterants present in KO.

Funder

University of Otago

The New Zealand (NZ) Ministry for Business, Innovation, and Employment

Royal society Te Apārangi, Marsden fast-start

MBIE smart idea

Te Whai Ao-Dodd-Walls Centre for photonic and quantum technologies

Publisher

MDPI AG

Subject

Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science

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