Parameter Visualization of Benchtop Nuclear Magnetic Resonance Spectra toward Food Process Monitoring

Abstract

Low-cost and user-friendly benchtop low-field nuclear magnetic resonance (NMR) spectrometers are typically used to monitor food processes in the food industry. Because of excessive spectral overlap, it is difficult to characterize food mixtures using low-field NMR spectroscopy. In addition, for standard compounds, low-field benchtop NMR data are typically unavailable compared to high-field NMR data, which have been accumulated and are reusable in public databases. This work focused on NMR parameter visualization of the chemical structure and mobility of mixtures and the use of high-field NMR data to analyze benchtop NMR data to characterize food process samples. We developed a tool to easily process benchtop NMR data and obtain chemical shifts and T2 relaxation times of peaks, as well as transform high-field NMR data into low-field NMR data. Line broadening and time–frequency analysis methods were adopted for data processing. This tool can visualize NMR parameters to characterize changes in the components and mobilities of food process samples using benchtop NMR data. In addition, assignment errors were smaller when the spectra of standard compounds were identified by transferring the high-field NMR data to low-field NMR data rather than directly using experimentally obtained low-field NMR spectra.