茶叶科学2025，Vol.45Issue(2)：318-332,15.
基于HS-SPME-GC-MS与分子对接技术的3种香型红茶挥发性成分研究
The Study of Volatile Components in Three Scented Types of Black Tea Based on HS-SPME-GC-MS and Molecular Docking Technology
摘要
Abstract
In recent years,honey-like,fruity,and herbal mint-scented black teas have attracted considerable consumer attention and preference.However,the underlying mechanisms of their aroma characteristics require further in-depth investigation and analysis.This study employed headspace solid-phase microextraction-gas chromatography-mass spectrometry(HS-SPME-GC-MS),combined with variable importance in projection(VIP)and relative odor activity value(ROAV)of orthogonal partial least squares-discriminant analysis(OPLS-DA)to identify key volatile compounds in three scented types of black tea.Molecular docking was then used to explore the binding sites and interactions between the key volatile compounds and olfactory receptors.The results show significant differences in the volatile component contents among the three scented types of black tea,with 13 volatile compounds identified as the critical contributors to these differences.In honey-like black tea,damascenone,benzaldehyde,and linalool oxide Ⅰ were identified as the major volatile contributors.In fruity-scented black tea,heptanal,3,6-nonadien-1-ol,2-heptanone,(E)-citral,and 6-methyl-5-hepten-2-one played pivotal roles.While the cooling sensation in herbal mint-scented black tea was closely associated with methyl salicylate.Molecular docking analysis demonstrates that the key volatile compounds spontaneously bind to olfactory receptors OR1A1,OR1G1,OR2W1,OR5M3,OR7D4,and OR8D1,with OR1A1 identified as the primary receptor for perceiving these aroma characteristics.The binding was facilitated by hydrogen bonding and hydrophobic interactions with three amino acid residues(TYR258,PHE206,and VAL254)of OR1A1,promoting the presentation of the aroma profiles.This study elucidates the mechanisms for the characteristic aroma formations of these three scented types of black tea,providing a theoretical foundation for enhancing black tea flavor quality and achieving targeted processing.关键词
红茶/独特香型/挥发性成分/分子对接/相对香气活性值Key words
black tea/unique aroma types/volatile components/molecular docking/relative odor activity value分类
农业科技引用本文复制引用
张鹏,孙威江,黄艳,魏成江,郑志强,吴伟伟,郑昌坤,申卫伟,于英杰,林馥茗..基于HS-SPME-GC-MS与分子对接技术的3种香型红茶挥发性成分研究[J].茶叶科学,2025,45(2):318-332,15.基金项目
中央引导地方科技发展专项(2022L3071)、福建张天福茶叶发展基金会科技创新基金(FJZTF01)、两岸"三茶融合"标准共通试点项目、五指山红茶品质提升关键技术示范与推广(KH200116A) （2022L3071）
