Perceptual validation and receptor-level modeling of odorant evolution during the first decade of Pu-erh ripened tea storage.

Abstract

Volatile evolution in Pu-erh ripened tea stored for 1-10 years was characterized using headspace solid-phase microextraction-gas chromatography-mass spectrometry, odor activity value (OAV), aroma recombination and omission experiment, molecular docking, and dynamics simulations were employed. Volatile composition differed markedly between samples stored for 1-5 and 6-10 years, and 103 volatile compounds were identified. Thirty-three compounds had OAVs>1, and 29 significantly affected aroma in omission tests. Partial least-squares discriminant analysis identified seven potential storage-discriminating volatiles, including linalool oxide II (pyranoid), linalool oxide I (furanoid), and 1,2,3-trimethoxybenzene. Molecular docking indicated hydrogen bonding and hydrophobic interactions were predicted to contribute to odorant-receptor interactions, while dynamics simulations confirmed complex stability. This study provides a theoretical basis for investigating the perceptual validation and receptor-level modeling of odorant evolution during the storage of PRT.

Abstract as supplied by the indexing source. © the authors / publisher.