Key Laboratory of Systems Health Science of Zhejiang Province, School of Life Science, Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Hangzhou 310024, China; Key Laboratory of Systems Biology, Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Chinese Academy of Sciences, Hangzhou 310024, China; University of the Chinese Academy of Sciences, Beijing 100049, China.
Key Laboratory of Space Active Opto-Electronics Technology of the Chinese Academy of Sciences, Shanghai 200083, China; Shanghai Institute of Technical Physics of the Chinese Academy of Sciences, Shanghai 200083, China.
Food Chem. 2022 Dec 15;397:133763. doi: 10.1016/j.foodchem.2022.133763. Epub 2022 Jul 25.
β-carotene and oleic acids are important molecules to distinguish between extra olive oil (EVOO) and other oils. To identify adulteration which use common vegetable oils blended with β-carotene to imitate EVOO, a non-invasive, lossless method is proved to be effective. The present work presents a laser confocal Raman technique for analyzing and comparing the differences of molecule between EVOO and SSO, which based on theoretical Raman spectra of β-carotene, oleic acids and linoleic acids calculated by density functional theory (DFT). Chemometrics based on support vector regression (SVR) was used to realize quantitative analysis of β-carotene in synthetic olive oils. Nine different volume ratios were prepared independently, and test set evaluation index of linear kernel of SVR as follow: RMSE 0.0653, R 0.9868. The results show that laser confocal Raman technique, combined with theoretical Raman spectra based on DFT, could analyze composition of vegetable oil accurately, and identify low-cost imitation of olive oil.
β-胡萝卜素和油酸是区分特级初榨橄榄油（EVOO）和其他油的重要分子。为了识别使用常见植物油与β-胡萝卜素混合来模仿 EVOO 的掺假行为，已经证明一种非侵入性、无损的方法是有效的。本工作提出了一种激光共焦拉曼技术，用于分析和比较 EVOO 和 SSO 之间分子的差异，该技术基于β-胡萝卜素、油酸和亚油酸的理论拉曼光谱，通过密度泛函理论（DFT）计算得到。基于支持向量回归（SVR）的化学计量学用于实现合成橄榄油中β-胡萝卜素的定量分析。独立制备了九种不同体积比的混合物，并对 SVR 线性核的测试集评估指标进行了评价：RMSE 为 0.0653，R 为 0.9868。结果表明，激光共焦拉曼技术结合基于 DFT 的理论拉曼光谱，可以准确分析植物油的成分，并识别低成本的橄榄油仿制品。
