Bio-Pharmaceutical and Toxicological Analysis Research Team, Laboratory of Pharmacology and Toxicology, Faculty of Medicine and Pharmacy, University Mohammed V, Rabat, Morocco.
Bio-Pharmaceutical and Toxicological Analysis Research Team, Laboratory of Pharmacology and Toxicology, Faculty of Medicine and Pharmacy, University Mohammed V, Rabat, Morocco; Department of Analytical Chemistry, Applied Chemometrics and Molecular Modeling, CePhaR, Vrije Universiteit Brussel (VUB), Laarbeeklaan 103, B-1090, Brussels, Belgium.
Talanta. 2020 Mar 1;209:120543. doi: 10.1016/j.talanta.2019.120543. Epub 2019 Nov 6.
The purpose of this study was to perform a discrimination and classification of diesel samples from the four major suppliers of petroleum products in Morocco using Fourier Transform Infrared Spectroscopy (FTIR), Gas Chromatography coupled with Mass Spectrometry (GC-MS) and chemometrics tools. Eighty diesel samples were collected from different gas stations owned by the four biggest brands in the Moroccan market. Principal Component Analysis (PCA) was performed to depict the similarities between the samples and check the presence of outliers. Partial Least Squares Discriminant Analysis (PLS-DA) models were set up for the discrimination and the classification of the four groups of samples (i.e., diesel suppliers). The models proposed in this study, were characterized by good prediction abilities, especially the FTIR-PLSDA model that was characterized by 100% of accurate discrimination of the four groups. The approach of analysis showed that the FTIR spectra can provide a cheap and rapid means for the determination of the diesel origin and to ensure the traceability of diesel products marketed in Morocco with respect for the rules of the green chemistry.
本研究旨在使用傅里叶变换红外光谱(FTIR)、气相色谱-质谱联用(GC-MS)和化学计量学工具,对来自摩洛哥四大石油产品供应商的柴油样本进行区分和分类。从摩洛哥市场上四个最大品牌所属的不同加油站采集了 80 个柴油样本。进行主成分分析(PCA)以描绘样本之间的相似性并检查异常值的存在。建立偏最小二乘判别分析(PLS-DA)模型,对四个组别的样本(即柴油供应商)进行区分和分类。本研究提出的模型具有良好的预测能力,特别是 FTIR-PLSDA 模型,可准确区分四个组别的样本,准确率为 100%。该分析方法表明,FTIR 光谱可提供一种廉价且快速的方法来确定柴油的来源,并确保摩洛哥市场上销售的柴油产品符合绿色化学规则的可追溯性。