Tracing the origin of Taiping Houkui green tea using 1H NMR and HS-SPME-GC-MS chemical fingerprints, data fusion and chemometrics

Abstract

The narrow geographical traceability of green tea is both important and challenging. This study aimed to establish multi-technology metabolomic and chemometric approaches to finely discriminate the geographic origins of green teas. Taiping Houkui green tea samples were analyzed by headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry and ¹H NMR of polar (D₂O) and non-polar (CDCl₃). Common dimension, low-level and mid-level data fusion approaches were tested to verify if the combination of several analytical sources can improve the classification ability of samples from different origins. In assessments of tea from six origins, the single instrument data test set results in 40.00% to 80.00% accuracy. Data fusion improved single-instrument performance classification with mid-level data fusion to obtain 93.33% accuracy in the test set. These results provide comprehensive metabolomic insights into the origin of TPHK fingerprinting and open up new metabolomic approaches for quality control in the tea industry.

Keywords: Common dimension; Geographical traceability; Green tea; Headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry; Proton Nuclear Magnetic Resonance.