Raman Spectroscopy of Vegetable Oils and Omega‑3 Fish Oil Supplements: Quantitative Analysis

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Abstract

This paper discusses the potential of Raman spectroscopy for the characterization of vegetable oils and dietary supplements based on polyunsaturated fatty acids of the omega-3 family (ω-3 PUFA). The present study demonstrates that Raman spectra can be employed to determine the iodine value of vegetable oils, form of ω-3 PUFA, relative total ω-3 PUFA content, and ratio of the mass fractions of eicosapentaenoic (EPA) and docosahexaenoic (DHA) acids in the Оmega-3 dietary supplements. Furthermore, the paper discusses potential applications of the principal component analysis (PCA) to Omega-3 supplement characterization using Raman spectra.

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S. М. Kuznetsov

Prokhorov General Physics Institute of the RAS

Email: lenochek73@mail.ru
ORCID iD: 0000-0002-8378-7085
Russian Federation, Moscow

V. S. Novikov

Prokhorov General Physics Institute of the RAS

Email: lenochek73@mail.ru
ORCID iD: 0000-0002-3304-1568
Russian Federation, Moscow

D. D. Vasimov

Prokhorov General Physics Institute of the RAS; Moscow Institute of Physics and Technology

Email: lenochek73@mail.ru
ORCID iD: 0009-0002-8105-0124
Russian Federation, Moscow; Dolgoprudny, Moscow Region

P. K. Laptinskaya

Prokhorov General Physics Institute of the RAS

Email: lenochek73@mail.ru
ORCID iD: 0000-0003-1100-0244
Russian Federation, Moscow

V. V. Kuzmin

Prokhorov General Physics Institute of the RAS

Email: lenochek73@mail.ru
ORCID iD: 0000-0002-2434-1817
Russian Federation, Moscow

M. N. Moskovskiy

Federal Scientific Agronomic and Engineering Center VIM

Email: lenochek73@mail.ru
ORCID iD: 0000-0001-5727-8706
Russian Federation, Moscow

E. A. Sagitova

Prokhorov General Physics Institute of the RAS

Author for correspondence.
Email: lenochek73@mail.ru
ORCID iD: 0000-0001-9992-5879
Russian Federation, Moscow

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Supplementary files

Supplementary Files
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2. Fig. 1. Structural formulas of molecules of fatty acid TGs and EEs, EPA and DHA. R1, R2, R3 are hydrocarbon radicals of fatty acids

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3. Fig. 2. Raman spectra of vegetable oils with different iodine value (IV, giodine / 100 goil): МСТ (Medium Chain Triglycerides) oil with no С=C bonds (1), coconut (2), castor (3), sunflower (4), echium plantagineum seed oils (5)

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4. Fig. 3. Raman spectra of Omega-3 dietary supplements with different relative content of ω-3 PUFAs (in mass. %). Red and blue lines are the spectra of dietary supplements with ω-3 PUFAs in EE and TG forms, respectively

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5. Fig. 4. The I1658 / Iδ(СH2) ratio as a function of the iodine value of vegetable oils

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6. Fig. 5. The I1658 / Iδ(СH2) ratio as a function of the relative mass content of ω-3 PUFAs in Omega-3 dietary supplements. The error in determining the content of ω-3 PUFAs is provided according to the data indicated on the packaging of the dietary supplements. Experimental data are presented only for the dietary supplements with the relative contents of ω-3 PUFAs known in advance

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7. Fig. 6. Results of the PCA applied to the entire set of Raman spectra of the studied Omega-3 dietary supplements in the range of 540–1800 cm-1. Ellipses are the areas in which the spectrum of each studied Omega-3 dietary supplement is included with a probability of 95%

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8. Fig. 7. Results of the PCA applied to the Raman spectra of Omega-3 dietary supplements with ω-3 PUFAs in EE form in the range of 540–1200 cm-1. The ratio of the mass fractions of EPA and DHA is shown on the color scale. Ellipse is the area in which the spectra of dietary supplements with a mass fraction ratio of EPA and DHA from 1.3 to 1.5 are included with a probability of 95%

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Copyright (c) 2024 Kuznetsov S.М., Novikov V.S., Vasimov D.D., Laptinskaya P.K., Kuzmin V.V., Moskovskiy M.N., Sagitova E.A.