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Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
Published on: July 31, 2021
Identification of pure component spectra by independent component analysis in glucose prediction based on
1Institute for Gifted Students, Korea Research Institute of Science and Technology, Daejeon, South Korea.
Abstract:
We present a method for glucose prediction from mid-IR spectra by independent component analysis (ICA). This method is able to identify pure, or individual, absorption spectra of constituent components from the mixture spectra without a priori knowledge of the mixture. This method was tested with a two-component system consisting of an aqueous solution of both glucose and sucrose, which exhibit distinct but closely overlapped spectra. ICA combined with principal component analysis was able to identify a spectrum for each component, the correct number of components, and the concentrations of the components in the mixture. This method does not need a calibration process and is advantageous in noninvasive glucose monitoring since expensive and time-consuming clinical tests for data calibration are not required.
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