Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, CePhaR, Vrije Universiteit Brussel (VUB), Laarbeeklaan 103, B-1090 Brussels, Belgium; Biopharmaceutical and Toxicological Analysis Research Team, Laboratory of Pharmacology and Toxicology, Faculty of Medicine and Pharmacy, University Mohammed V-Rabat, Morocco.
Pharmacodynamy Research Team. Laboratory of Pharmacology and Toxicology, Faculty of Medicine and Pharmacy, University Mohammed V-Rabat, Morocco.
Food Chem. 2018 Oct 15;263:8-17. doi: 10.1016/j.foodchem.2018.04.059. Epub 2018 Apr 18.
This study investigated the effectiveness of SIFT-MS versus chemical profiling, both coupled to multivariate data analysis, to classify 95 Extra Virgin Argan Oils (EVAO), originating from five Moroccan Argan forest locations. The full scan option of SIFT-MS, is suitable to indicate the geographic origin of EVAO based on the fingerprints obtained using the three chemical ionization precursors (HO, NO and O). The chemical profiling (including acidity, peroxide value, spectrophotometric indices, fatty acids, tocopherols- and sterols composition) was also used for classification. Partial least squares discriminant analysis (PLS-DA), soft independent modeling of class analogy (SIMCA), K-nearest neighbors (KNN), and support vector machines (SVM), were compared. The SIFT-MS data were therefore fed to variable-selection methods to find potential biomarkers for classification. The classification models based either on chemical profiling or SIFT-MS data were able to classify the samples with high accuracy. SIFT-MS was found to be advantageous for rapid geographic classification.
本研究调查了 SIFT-MS 与化学剖析的效果,两者均与多元数据分析相结合,以对 95 种特级初榨阿甘油(EVAO)进行分类,这些特级初榨阿甘油来自摩洛哥五个阿甘油林地区。SIFT-MS 的全扫描选项适合根据使用三种化学电离前体(HO、NO 和 O)获得的指纹来指示 EVAO 的地理起源。化学剖析(包括酸度、过氧化物值、分光光度指数、脂肪酸、生育酚和甾醇组成)也用于分类。偏最小二乘判别分析(PLS-DA)、软独立建模分类类比(SIMCA)、K-最近邻(KNN)和支持向量机(SVM)进行了比较。然后,SIFT-MS 数据被馈送到变量选择方法中,以找到用于分类的潜在生物标志物。基于化学剖析或 SIFT-MS 数据的分类模型能够以高精度对样品进行分类。SIFT-MS 被发现有利于快速地理分类。