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Food Res Int

Title:		Machine learning based age-authentication assisted by chemo-kinetics: Case study of strong-flavor Chinese Baijiu
Author(s):		Liu QR; Zhang XJ; Zheng L; Meng LJ; Liu GQ; Yang T; Lu ZM; Chai LJ; Wang ST; Shi JS; Shen CH; Xu ZH;
Address:		"Key Laboratory of Industrial Biotechnology of Ministry of Education, School of Biotechnology, Jiangnan University, Wuxi 214122, PR China; National Engineering Research Center of Cereal Fermentation and Food Biomanufacturing, Jiangnan University, Wuxi 214122, PR China. National Engineering Research Center of Solid-State Brewing, Luzhou 646000, PR China. National Engineering Research Center of Cereal Fermentation and Food Biomanufacturing, Jiangnan University, Wuxi 214122, PR China; School of Life Science and Health Engineering, Jiangnan University, Wuxi 214122, PR China. National Engineering Research Center of Cereal Fermentation and Food Biomanufacturing, Jiangnan University, Wuxi 214122, PR China; Jiangsu Provincial Engineering Research Center for Bioactive Product Processing, Jiangnan University, Wuxi 214122, PR China. School of Life Science and Health Engineering, Jiangnan University, Wuxi 214122, PR China; Jiangsu Provincial Engineering Research Center for Bioactive Product Processing, Jiangnan University, Wuxi 214122, PR China"
Journal Title:		Food Res Int
Year:		2023
Volume:		20230217
Issue:
Page Number:		112594 -
DOI:		10.1016/j.foodres.2023.112594
ISSN/ISBN:		1873-7145 (Electronic) 0963-9969 (Linking)
Abstract:		"The aged Chinese liquor, Baijiu, is highly valued for its superior organoleptic qualities. However, since age-authentication method and aging-mechanism elucidation of Baijiu is still in the exploratory stage, high-quality aged Baijiu is often replaced by lower-quality, less-aged product with fraudulent mislabeling. Authentic high-quality strong-flavor Baijiu was analyzed by gas chromatography-mass spectrometry. Total esters decreased with aging, while acids, alcohols, aldehydes, ketones, terpenes, pyrazines increased. Although concentrations of partial compounds showed non-monotonic profiling during aging, a close positive linear correlation (R(2) = 0.7012) of Baijiu Evenness index (0.55-0.59) with aging time was observed, indicating a more balanced composition in aged Baijiu. The reaction quotient (Qc) of each esterification, calculated by the corresponding reactant and product concentration, approached to the corresponding thermodynamic equilibrium constant Kc. This result demonstrated that the spontaneous transformation driven by thermodynamics explained part of the aging compositional profiling. Furthermore, an aging-related feature selection and an age-authentication method were established based on three models combined with five ranking algorithms. Forty-one key features, including thirty-six compound concentrations, four esterification Qc values and the Evenness index were selected out. The age-authentication based on neural network using forty-one input features accurately predicted the age group of Baijiu samples (F1 = 100 %). These findings have deepened understanding of the Baijiu aging mechanism and provided a novel, effective approach for age-authentication of Baijiu and other liquors"
Keywords:		*Odorants/analysis *Volatile Organic Compounds/analysis Alcoholic Beverages/analysis Gas Chromatography-Mass Spectrometry/methods Esters/analysis Baijiu age-authentication Chemo-kinetics Chemometrics Composition evenness Esterification Feature selection M;
Notes:		"MedlineLiu, Qing-Ru Zhang, Xiao-Juan Zheng, Lei Meng, Lian-Jun Liu, Guang-Qian Yang, Ting Lu, Zhen-Ming Chai, Li-Juan Wang, Song-Tao Shi, Jin-Song Shen, Cai-Hong Xu, Zheng-Hong eng Research Support, Non-U.S. Gov't Canada 2023/04/23 Food Res Int. 2023 May; 167:112594. doi: 10.1016/j.foodres.2023.112594. Epub 2023 Feb 17"