Kelis Cardoso Victor Gustavo, Sabin Guilherme Post, Hantao Leandro Wang
Institute of Chemistry, University of Campinas, 270 Monteiro Lobato, Campinas, São Paulo, 13083-862, Brazil.
OpenScience, Office 916, 233 Conceição Street, Campinas, São Paulo, 13010-050, Brazil.
Anal Methods. 2022 Apr 14;14(15):1540-1546. doi: 10.1039/d2ay00063f.
The beer industry plays an important role in the economy since this is the third most consumed beverage worldwide. Efficient analytical methods must be developed to ensure the quality of the product. Rapid evaporative ionization mass spectrometry (REIMS) can provide molecular-level information, while enabling fast analysis. REIMS requires minimal sample preparation and it is ideal for the analysis of homogeneous liquid samples, such as beers, within only five seconds. In this article, 32 different beers were analyzed by REIMS in positive and negative ionization modes using a hybrid quadrupole time-of-flight mass spectrometer. The positive and negative MS spectrum blocks were augmented for data fusion. A predictive model by partial least squares discriminant analysis (PLS-DA) was used to discriminate the samples (i) by their brands and (ii) by the beer type (Premium and Standard American lagers). The results showed that REIMS provided a rich fingerprint of beers, which was successfully used to discriminate the brands and types with 96.9% and 97.9% accuracy, respectively. We believe that this proof-of-concept has great potential to be applied on a larger scale for industrial purposes due to its high-throughput.
啤酒行业在经济中发挥着重要作用，因为啤酒是全球第三大消费饮品。必须开发高效的分析方法以确保产品质量。快速蒸发离子化质谱（REIMS）能够提供分子水平的信息，同时实现快速分析。REIMS所需的样品制备极少，非常适合分析像啤酒这样的均匀液体样品，仅需五秒钟即可完成。在本文中，使用混合四极杆飞行时间质谱仪，以正离子和负离子模式通过REIMS对32种不同的啤酒进行了分析。为了进行数据融合，对正、负离子质谱图块进行了增强。采用偏最小二乘判别分析（PLS-DA）建立预测模型，以（i）按品牌和（ii）按啤酒类型（优质和标准美国拉格啤酒）对样品进行判别。结果表明，REIMS提供了丰富的啤酒指纹图谱，分别以96.9%和97.9%的准确率成功用于区分品牌和类型。我们认为，由于其高通量特性，这一概念验证具有很大的潜力可在更大规模上应用于工业目的。
