Molecular Dynamics and Chain Length of Edible Oil Using Low-Field Nuclear Magnetic Resonance

Molecules. 2022 Dec 26;28(1):197. doi: 10.3390/molecules28010197.

Abstract

Nuclear magnetic resonance (NMR) techniques are widely used to identify pure substances and probe protein dynamics. Edible oil is a complex mixture composed of hydrocarbons, which have a wide range of molecular size distribution. In this research, low-field NMR (LF-NMR) relaxation characteristic data from various sample oils were analyzed. We also suggest a new method for predicting the size of edible oil molecules using LF-NMR relaxation time. According to the relative molecular mass, the carbon chain length and the transverse relaxation time of different sample oils, combined with oil viscosity and other factors, the relationship between carbon chain length and transverse relaxation time rate was analyzed. Various oils and fats in the mixed fluid were displayed, reflecting the composition information of different oils. We further studied the correlation between the rotation correlation time and the molecular information of oil molecules. The molecular composition of the resulting fluid determines its properties, such as viscosity and phase behavior. The results show that low-field NMR can obtain information on the composition, macromolecular aggregation and molecular dynamics of complex fluids. The measurements of grease in the free-fluid state show that the relaxation time can reflect the intrinsic properties of the fluid. It is shown that the composition characteristics and states of complex fluids can be measured using low-field nuclear magnetic resonance.

Keywords: chain length; edible oil; low-field NMR; rotation correlation time; two-dimensional nuclear magnetic resonance.

MeSH terms

  • Hydrocarbons
  • Magnetic Resonance Imaging
  • Magnetic Resonance Spectroscopy / methods
  • Molecular Dynamics Simulation*
  • Oils*

Substances

  • Oils
  • Hydrocarbons