Institute of Food Safety, Chinese Academy of Inspection and Quarantine, Beijing, P. R. China.
Hubei Provincial Institute for Food Supervision and Test, Wuhan, P. R. China.
Electrophoresis. 2022 Oct;43(18-19):1841-1849. doi: 10.1002/elps.202200043. Epub 2022 May 31.
Sorghum is an important grain with a high economic value for liquor production. Tracing the geographical origin of sorghum is vital to guarantee the liquor flavor. Soldering iron-based rapid evaporative ionization mass spectrometry (REIMS) combined with chemometrics was developed for the real-time discrimination of the sorghum's geographical origin. The working conditions of soldering iron-based ionization were optimized, and then the obtained MS profiling data were processed using chemometrics analysis methods, including principal component analysis-linear discriminant analysis and orthogonal projection to latent structures discriminant analysis (OPLS-DA). A recognition model was established, and discriminations of sorghum samples from 10 provinces in China were achieved with a correct rate higher than 90%. On the basis of OPLS-DA, the specific ions of m/z 279.2327, 281.2479, and 283.2639 had relatively strong discrimination power for the geographical origins of sorghum. The developed method was successfully applied in the discrimination of sorghum origins. The results indicated that the soldering iron-based REIMS technique combined with chemometrics is a useful tool for direct, fast, and real-time ionization of poor conductivity samples and acquisition of metabolic profiling data.
高粱是一种重要的粮食作物，具有很高的经济价值，可用于生产酒类。追溯高粱的地理起源对于保证酒类的风味至关重要。本研究开发了基于电烙铁的快速蒸发电离质谱（REIMS）结合化学计量学方法，用于实时鉴别高粱的地理起源。优化了电烙铁电离的工作条件，然后使用化学计量学分析方法（包括主成分分析-线性判别分析和正交偏最小二乘判别分析（OPLS-DA））对获得的 MS 轮廓数据进行处理。建立了识别模型，对来自中国 10 个省份的高粱样品进行了判别，准确率高于 90%。基于 OPLS-DA，m/z 279.2327、281.2479 和 283.2639 的特定离子对高粱地理起源具有较强的判别能力。该方法已成功应用于高粱起源的鉴别。结果表明，基于电烙铁的 REIMS 技术结合化学计量学是一种有用的工具，可用于直接、快速和实时对电导率差的样品进行电离，并获取代谢轮廓数据。
