HRMAS 1H NMR and CPMAS 13C NMR spectroscopies coupled with chemometrics for the metabolomic investigation of commercial teas

Abstract

In this study, the metabolome of different types of tea (i.e., black, green and earl grey) is explored by means of HRMAS 1H (i.e., semisolid state) NMR and CPMAS 13C (i.e., solid state) NMR spectroscopies. By elaborating the metabolomic data with unsupervised and supervised chemometric tools (PCA, PLS-DA), it was possible to set up classification models with the aim to discriminate the different types of tea as based on differences in their chemical composition. Both the applications of the NMR spectroscopies also allowed to obtain information about the metabolic biomarkers leading the differentiation among teas. These were mainly represented by phenolic compounds. Also, some non-phenolic compounds, such as amino acids, carbohydrates, and terpenoids, played important roles in shaping tea quality. The findings of this study provided useful insights into the application of solid and semisolid state NMR spectroscopies, in combination with chemometrics, in the context of food authentication and traceability.