Automated Processing and Statistical Analysis of NMR spectra obtained from Arabidopsis thaliana Extracts

Abstract

To cope with vast amounts of data produced by metabolomic and mixture analysis using NMR, the employed analysis techniques and tools are very important. In this paper, we demonstrate quantitative 1 H and 2D-JRES NMR analysis of Arabidopsis thaliana extracts utilizing our ImatraNMR and SimpeleNMR software to automate the processing the spectra, extracting data, and perform statistical analysis of the results. Metabolomes of four different strains of Arabidopsis thaliana are analyzed under control conditions and during acute ozone exposure. Key differences are identified between accessions Col-0 and Cvi-0 (epithionitriles, iberin nitrile) and ozone damage associated metabolite(s) can be identified. Sample stability is also addressed.

Metabolomics-Guided Elucidation of Plant Abiotic Stress Responses in the 4IR Era: An Overview

“…Small Molecules Accurate Recognition Technology (SMART), a machine learning based tool, for example, enables the interpretation of 2D-NMR spectra and the acceleration of discovering and characterizing novel natural products [ 137 ]. Additional examples include the ImatraNMR [ 138 ] and SimpeleNMR [ 138 ] tools for quantitative NMR analysis. ImatraNMR and SimpeleNMR tools were applied in the 2D NMR analysis of 4 Arabidopsis thaliana strains under controlled and ozone exposure conditions.…”

“…ImatraNMR and SimpeleNMR tools were applied in the 2D NMR analysis of 4 Arabidopsis thaliana strains under controlled and ozone exposure conditions. Metabolite differences were revealed, with GABA found to be produced in the plants responses to the ozone exposure (i.e., changes in oxidative stress) [ 138 ]. These 4IR technological and software developments in NMR will, therefore, enable rapid analysis for large datasets and potentially increase the widespread use of NMR-based plant metabolomics [ 139 ].…”