Characteristic flavors of different processed Yunnan specialty coffee after hot brewing: From sensory attributes to molecular recognition mechanism.

This study systematically investigated the characteristic flavors of hot-brewed Yunnan specialty coffees subjected to different primary processing methods (washed, honey-processed, and sun-dried). An integrated multi-scale approach was employed, combining sensory evaluation, physicochemical analysis, chromatography-mass spectrometry (LC-MS/MS and HS-SPME-GC-MS), and computational chemistry. Twenty-three aroma-active compounds (OAV > 1) were identified as major contributors. Aroma recombination and omission experiments confirmed their sensory significance, establishing a quantitative link between chemical composition and sensory attributes. Molecular docking and dynamics simulations revealed that key aroma molecules (e.g., isopulegol, nonanal, ethyl decanoate) primarily interact with olfactory receptors OR1A1 and OR8D1 via van der Waals forces and hydrophobic interactions, elucidating their aroma presentation mechanisms. This research provides a comprehensive data chain and methodological framework for understanding and optimizing the flavor quality of Yunnan specialty coffee through targeted processing and brewing techniques.