Insights into the mechanism of flavor compound changes in strong flavor baijiu during storage by using the density functional theory and molecular dynamics simulation
Zhangjun Huang, Yunhang Zeng, Qingyong Sun, Wenhua Zhang, Songtao Wang, Caihong Shen, Bi Shi
Topics & Concepts
FlavorChemistryProtonationMolecular dynamicsOrganolepticDensity functional theoryEthanolHydrogen bondComputational chemistryOrganic chemistryFood scienceMoleculeIonFermentation and Sensory AnalysisTea Polyphenols and EffectsFood Quality and Safety Studies