Automatic ¹H-NMR Screening of Fatty Acid Composition in Edible Oils

Nutrients
David CastejónAntonio Herrera

Abstract

In this work, we introduce an NMR-based screening method for the fatty acid composition analysis of edible oils. We describe the evaluation and optimization needed for the automated analysis of vegetable oils by low-field NMR to obtain the fatty acid composition (FAC). To achieve this, two scripts, which automatically analyze and interpret the spectral data, were developed. The objective of this work was to drive forward the automated analysis of the FAC by NMR. Due to the fact that this protocol can be carried out at low field and that the complete process from sample preparation to printing the report only takes about 3 min, this approach is promising to become a fundamental technique for high-throughput screening. To demonstrate the applicability of this method, the fatty acid composition of extra virgin olive oils from various Spanish olive varieties (arbequina, cornicabra, hojiblanca, manzanilla, and picual) was determined by ¹H-NMR spectroscopy according to this protocol.

References

Sep 17, 2011·Progress in Nuclear Magnetic Resonance Spectroscopy·Jose L Izquierdo-GarcíaJesús Ruiz-Cabello
Feb 9, 2012·Magnetic Resonance in Chemistry : MRC·Luisa Mannina, Anatoly P Sobolev
May 17, 2013·Analytical Chemistry·Michael A BernsteinCarlos Cobas
May 17, 2013·Metabolomics : Official Journal of the Metabolomic Society·Lawrence J ClosJohn L Markley
Feb 4, 2014·Current Opinion in Biotechnology·Charlotte SimmlerGuido F Pauli
Mar 5, 2014·Journal of Medicinal Chemistry·Robert Powers
Oct 27, 2015·Journal of Analytical Methods in Chemistry·Carmelo CorsaroNicola Cicero

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Citations

Dec 11, 2019·Journal of the Science of Food and Agriculture·Emilio San MartínJesús H Busto
Nov 30, 2018·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Xingxing TengLianbao Ye
Jan 14, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Fenfen TangEmmanuel Hatzakis
Jan 19, 2019·Analytical Chemistry·Boris GouilleuxThomas Vosegaard

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Methods Mentioned

BETA
Nuclear Magnetic Resonance
NMR

Software Mentioned

GNU
TopSpin AU
ECMAScript
MestReNova
AU
Windows
Mestrelab MestReNova
ICON
MestReNova script
NMR

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