Prediction of fatty acid composition in camellia oil by 1H NMR combined with PLS regression

被引：63
作者：
Zhu, MengTing [1 ]
Shi, Ting [1 ]
Chen, Yi [1 ]
Luo, ShuHan [1 ]
Leng, Tuo [1 ]
Wang, YangLing [1 ]
Guo, Cong [1 ]
Xie, MingYong [1 ]
机构：
[1] Nanchang Univ, State Key Lab Food Sci & Technol, Nanchang 330047, Jiangxi, Peoples R China
来源：
FOOD CHEMISTRY | 2019年 / 279卷
基金：
中国国家自然科学基金;
关键词：
Camellia oil; Fatty acid composition; PLS; H-1; NMR; VIRGIN OLIVE OILS; CHEMOMETRIC ANALYSIS; GAS-CHROMATOGRAPHY; SEED OILS; SPECTROSCOPY; METABOLOMICS; DISCRIMINATION; CLASSIFICATION; ADULTERATION; MULTIVARIATE;
D O I：
10.1016/j.foodchem.2018.12.025
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
A rapid method for the determination of fatty acid (FA) composition in camellia oils was developed based on the H-1 NMR technique combined with partial least squares (PLS) method. Outliers detection, LVs optimization and data pre-processing selection were explored during the model building process. The results showed the optimal models for predicting the content of C18:1, C18:2, C18:3, saturated, unsaturated, monounsaturated and polyunsaturated FA were achieved by Pareto scaling (Par) pretreatment, with correlation coefficient (R-2) above 0.99, the root mean square error of estimation and prediction (RMSEE, RMSEP) lower than 0.954 and 0.947, respectively. Mean-centering (Ctr) was more suitable for the model of C16:0 and C18:0 with the best performance indicators (R-2 >= 0.945, RMSEE <= 0.377, RMSEP <= 0.212). This study indicated that H-1 NMR has the potential to be applied as a rapid and routine method for the analysis of FA composition in camellia oils.
引用
收藏
页码：339 / 346
页数：8
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