Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo 113-8657, Japan; Japan Society for the Promotion of Science, 8 Ichiban-cho, Chiyoda-ku, Tokyo 102-8472, Japan.
Department of Applied Biological Chemistry, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo 113-8657, Japan.
Food Chem. 2014;152:363-9. doi: 10.1016/j.foodchem.2013.11.161. Epub 2013 Dec 4.
Nuclear magnetic resonance (NMR) spectroscopy can be considered a kind of "magnetic tongue" for the characterisation and prediction of the tastes of foods, since it provides a wealth of information in a nondestructive and nontargeted manner. In the present study, the chemical substances in roasted coffee bean extracts that could distinguish and predict the different sensations of coffee taste were identified by the combination of NMR-based metabolomics and human sensory test and the application of the multivariate projection method of orthogonal projection to latent structures (OPLS). In addition, the tastes of commercial coffee beans were successfully predicted based on their NMR metabolite profiles using our OPLS model, suggesting that NMR-based metabolomics accompanied with multiple statistical models is convenient, fast and accurate for the sensory evaluation of coffee.
核磁共振（NMR）光谱可以被认为是一种用于食品口感特征描述和预测的“磁性舌头”，因为它以非破坏性和非靶向的方式提供了丰富的信息。在本研究中，通过基于 NMR 的代谢组学和人体感官测试以及正交投影到潜在结构（OPLS）的多元投影方法的结合，鉴定了能够区分和预测咖啡口感不同感觉的烤咖啡豆提取物中的化学物质。此外，还成功地基于 NMR 代谢物图谱使用我们的 OPLS 模型预测了商业咖啡豆的口感，表明基于 NMR 的代谢组学结合多个统计模型为咖啡的感官评价提供了便捷、快速和准确的方法。
