Multidimensional Proton Nuclear Magnetic Resonance Relaxation Morphological and Chemical Spectrum Graphics for Monitoring and Characterization of Polyunsaturated Fatty‐Acid Oxidation

Abstract

Abstract Polyunsaturated fatty acids (PUFA) are components of many commercial products such as edible oils, foods, cosmetics, medication, and in biological systems such as phospholipids of cellular membranes. Although PUFA aggregates are important functional components, they are also related to system degradation, because PUFA are susceptible to oxidation via their multiple double bonds and allylic carbons. Current technologies are not effective in characterizing the morphological and chemical structural domains of saturated, monounsaturated fatty acids (MUFA) and PUFA materials, or how the morphological structures of fatty acids, at the mesomolecular, nanomolecular, and molecular levels, affect their oxidation mechanisms. In this article, the 1 H low‐field (LF) NMR energy relaxation time technology is proposed as a tool to analyze PUFA oils undergoing thermal oxidation. This technology generates two‐dimensional (2D) chemical and morphological spectra using a primal‐dual interior method for the convex objectives (PDCO) optimization solver for computational processing of the energy relaxation time signals T 1 (spin–lattice) and T 2 (spin–spin). The 2D graphical maps of T 1 vs. T 2 generated for butter, rapeseed oil, soybean oil, and linseed oil show that the different degrees of unsaturation of fatty‐acid oils affect their chemical and morphological domains, which influences their oxidative propensity. The technology of the 1 H LF‐NMR energy relaxation time proved to be an effective tool to characterize and monitor PUFA oxidation.