Research paper1H NMR combined with PLS for the rapid determination of Squalene (cas 111-02-4) and sterols in vegetable oils

Add time:08/20/2019    Source:sciencedirect.com

Proton nuclear magnetic resonance (1H NMR) combined with partial least squares (PLS) was developed for the rapid determination of Squalene (cas 111-02-4) and sterols (brassicasterol, campesterol, stigmasterol and β-sitosterol) in 119 vegetable oils from 7 different species. The 1H NMR spectra of these oil samples were correlated to the reference value determined by gas chromatography-mass spectrometry (GC–MS) method by PLS regression, using outlier removal, selection of input X-variables and data pretreatments. Auto-scaling (UV) was chosen as the best pre-processing for the PLS models of stigmasterol, β-sitosterol, and squalene. Pareto variance (Par) was more suitable for the PLS model of brassicasterol. The model for squalene was further improved by a reduced number of variables with variable importance for the projection (VIP) scores technique. The study demonstrated the potential application of NMR coupled with PLS as a rapid and nondestructive technique for the routine analysis of squalene and sterols in vegetable oils.

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