Advancing the Analysis of Fatty Acid Composition in Animal-Based Marine Oils Through the Integration of Raman and IR Spectroscopy with Chemometrics

Fatema Ahmmed; Keith C Gordon; Asli Card; Daniel P Killeen; Sara J Fraser-Miller

doi:10.3390/foods15010183

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Advancing the Analysis of Fatty Acid Composition in Animal-Based Marine Oils Through the Integration of Raman and IR Spectroscopy with Chemometrics

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Advancing the Analysis of Fatty Acid Composition in Animal-Based Marine Oils Through the Integration of Raman and IR Spectroscopy with Chemometrics

Fatema Ahmmed, Keith C Gordon, Asli Card, Daniel P Killeen and Sara J Fraser-Miller

Foods, Vol.15(1), 183

05/01/2026

DOI: https://doi.org/10.3390/foods15010183

Handle:

https://hdl.handle.net/10523/49448

Abstract

data fusion

fish capsule

krill oil

vibrational spectroscopy

chemometrics

salmon oil

This study investigated the use of Raman and IR spectroscopy, individually and combined, for quantifying fatty acid methyl ester (FAME) profiles in animal-based marine oils and potential adulterants (palm oil, ω-3 concentrates in ethyl ester, and generic fish oil). FAME profiles are important for assessing oil quality, conventionally determined via gas chromatography. This study aimed to provide a rapid and non-destructive alternative. The study utilized Partial Least Squares Regression (PLSR) alongside Raman (r2 = 0.94; RMSEP = 2.4%) and IR spectroscopy (r2 = 0.95; RMSEP = 2.3%), demonstrating similar ω-3 fatty acid predictions. Fusion of IR and Raman spectroscopic datasets improved ω-3 fatty acid (r2 = 0.96; RMSEP = 1.9%), polyunsaturated fatty acids (PUFA) (r2 = 0.83; RMSEP = 4.0%), and saturated fatty acids (SFA) (r2 = 0.79; RMSEP = 4.1%) quantification. The study highlights that fusion of IR and Raman spectroscopic datasets presents a promising avenue for non-destructive fatty acid composition assessment.

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Record Identifier: 9926827081701891
Title: Advancing the Analysis of Fatty Acid Composition in Animal-Based Marine Oils Through the Integration of Raman and IR Spectroscopy with Chemometrics
Creators: Fatema Ahmmed
Keith C Gordon
Asli Card
Daniel P Killeen
Sara J Fraser-Miller
Publication Details: Foods, Vol.15(1), 183
Academic Unit: Dodd-Walls Centre for Photonic and Quantum Technologies; Chemistry
Publisher: MDPI
Grants: Development and assessment of a multi-spectroscopic fiber optic probe capable of disease diagnosis in the gastro-intestinal tract, 19-UOO-210_Marsden, Royal Society Te Apārangi (New Zealand, Wellington)
Riddet Institute (New Zealand, Palmerston North)
The Dodd-Walls Centre for Photonic and Quantum Technologies (New Zealand, Dunedin) - DWC
Diagnosis by light: An endoscopic probe for biopsy-free diagnosis of gastrointestinal diseases, UOOX1907, Ministry of Business, Innovation and Employment (New Zealand, Wellington) - MBIE
Grant note: C11X2001 - Cyber Physical Seafood Systems / New Zealand Ministry for Business and Innovation; University of Otago Doctoral Scholarship
Date published ; e-published: 05/01/2026
Copyright: Copyright © The Author(s) 2026. This work was first published in Foods (MDPI). This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 International License (http://www.creativecommons.org/licenses/by/4.0/), which permits unrestricted use, sharing, adaptation, distribution and reproduction in any medium or format, provided that the original work is properly attributed to the creator(s) and the source, a link to the Creative Commons license is provided, and any changes made are indicated.
Language: English
Resource Type ; Subtype: Journal article