Abstract
This paper proposes the combination of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) and chemometrics as a method to detect the age of Chinese liquor (Baijiu). Headspace conditions were optimized through single-factor optimization experiments. The optimal sample preparation involved diluting Baijiu with saturated brine to 15% alcohol by volume. The sample was equilibrated at 70 °C for 30 min, and then analyzed with 200 μL of headspace gas. A total of 39 Baijiu samples from different vintages (1998–2019) were collected directly from pottery jars and analyzed using HS-GC-IMS. Partial least squares regression (PLSR) analysis was used to establish two discriminant models based on the 212 signal peaks and the 93 identified compounds. Although both models were valid, the model based on the 93 identified compounds discriminated the ages of the samples more accurately according to the goodness of fit value (R2) and the root mean square error of prediction (RMSEP), which were 0.9986 and 0.244, respectively. Nineteen compounds with variable importance for prediction (VIP) scores > 1, including 11 esters, 4 alcohols, and 4 aldehydes, played vital roles in the model established by the 93 identified compounds. Overall, we determined that HS-GC-IMS combined with PLSR could serve as a rapid and accurate method for detecting the age of Baijiu.
Highlights
Ageing is an integral part of the production of most distilled spirits, such as whiskey and brandy, and improves their quality [1,2]
Ageing plays a critical role in the production process of high-quality spirits, but is extremely time-consuming and often requires several years or more to complete [5]
The results indicated that the model using HS-GC-IMS and partial least squares regression (PLSR) is more effective than the GC-MS model
Summary
Ageing is an integral part of the production of most distilled spirits, such as whiskey and brandy, and improves their quality [1,2]. Freshly distilled spirits smell and taste rough, unpleasant, and unbalanced [2,3]. Some compounds in the spirits undergo chemical reactions, which affect the final flavor and taste profiles of the spirits [1,2,4]. Ageing plays a critical role in the production process of high-quality spirits, but is extremely time-consuming and often requires several years or more to complete [5]. Owing to the commercialization and relatively high costs of aged spirits, counterfeiting these products is common worldwide [7]. It is necessary to establish a rapid and accurate method to detect the age of spirits to protect consumers from being deceived concerning the age and quality of the spirits
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