Quantitative Analysis of Lavender (<i>Lavandula angustifolia</i>) Essential Oil Using Multiblock Data from Infrared Spectroscopy

作     者：Nathalie Dupuy Vincent Gaydou Jacky Kister 

作者机构：Aix Marseille University LISA METICA EA4672 F-13397 Marseille 20 France 

出 版 物：《American Journal of Analytical Chemistry》 (美国分析化学（英文）)

年 卷 期：2014年第5卷第10期

页      面：633-645页

学科分类：1002[医学-临床医学] 100214[医学-肿瘤学] 10[医学] 

主　　题：Multiblock Regression Lavandula angustifolia Lavender Essential Oil NIR MIR H-PLS MB-PLS 

摘      要：Near-infrared and mid-infrared spectroscopies were currently used to analyze natural compounds. During the last ten years various multiblocks methods were developed such as Concatenated PLS, Hierarchical-PLS (H-PLS), and MultiBlock-PLS (MB-PLS). These three algorithms were used to analyze 55 lavender (Lavandula angustifolia) essential oil samples. The results obtained were compared to the ones obtained respectively in NIR and MIR ranges. The accuracies of the models depend on the spectroscopic technique, pretreatment and the PLS methods. The results showed that the choice of the factor numbers used to build the multiblock models was the most important parameter for the H-PLS and MB-PLS methods.