Cebi Nur, Taylan Osman, Abusurrah Mona, Sagdic Osman
Department of Food Engineering, Faculty of Chemical and Metallurgical Engineering, Yıldız Technical University, 34210 İstanbul, Turkey.
Department of Industrial Engineering, Faculty of Engineering, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
Foods. 2020 Dec 24;10(1):27. doi: 10.3390/foods10010027.
Essential oils are high-valued natural extracts that are involved in industries such as food, cosmetics, and pharmaceutics. The lemon essential oil (LEO) has high economic importance in the food and beverage industry because of its health-beneficial characteristics and desired flavor properties. LEO, similar to other natural extracts, is prone to being adulterated through economic motivations. Adulteration causes unfair competition between vendors, disruptions in national economies, and crucial risks for consumers worldwide. There is a need for cost-effective, rapid, reliable, robust, and eco-friendly analytical techniques to detect adulterants in essential oils. The current research developed chemometric models for the quantification of three adulterants (orange essential oil, benzyl alcohol, and isopropyl myristate) in cold-pressed LEOs by using hierarchical cluster analysis (HCA), principal component regression (PCR), and partial least squares regression (PLSR) based on FTIR spectra. The cold-pressed LEO was successfully distinguished from adulterants by robust HCA. PLSR and PCR showed high accuracy with high R values (0.99-1) and low standard error of cross-validation (SECV) values (0.58 and 5.21) for cross-validation results of the raw, first derivative, and second derivative FTIR spectra. The findings showed that FTIR spectroscopy combined with multivariate analyses has a considerable capability to detect and quantify adulterants in lemon essential oil.
香精油是具有高价值的天然提取物，应用于食品、化妆品和制药等行业。柠檬香精油（LEO）因其有益健康的特性和理想的风味特性，在食品和饮料行业具有很高的经济价值。与其他天然提取物一样，LEO容易因经济动机而被掺假。掺假会导致供应商之间的不公平竞争、破坏国家经济，并给全球消费者带来重大风险。因此，需要有经济高效、快速、可靠、稳健且环保的分析技术来检测香精油中的掺假物。当前的研究基于傅里叶变换红外光谱（FTIR），通过层次聚类分析（HCA）、主成分回归（PCR）和偏最小二乘回归（PLSR），开发了化学计量学模型，用于定量冷榨LEO中的三种掺假物（橙子香精油、苯甲醇和肉豆蔻酸异丙酯）。通过稳健的HCA成功地将冷榨LEO与掺假物区分开来。对于原始、一阶导数和二阶导数FTIR光谱的交叉验证结果，PLSR和PCR显示出高准确性，具有高R值（0.99 - 1）和低交叉验证标准误差（SECV）值（0.58和5.21）。研究结果表明，FTIR光谱结合多变量分析具有相当大的能力来检测和定量柠檬香精油中的掺假物。
