Reflectance spectroscopy with operator difference for determination of behenic acid in edible vegetable oils by using convolutional neural network and polynomial correction.

A novel polynomial correction method, order-adaptive polynomial correction (OAPC), was proposed to correct reflectance spectra with operator differences, and convolutional neural network (CNN) was used to develop analysis model to predict behenic acid in edible oils. With application of OAPC, CNN performed well with coefficient of determination of correction (R2cor) of 0.8843 and root mean square error of correction (RMSEcor) of 0.1182, outperforming partial least squares regression, support vector regression and random forest with OAPC, as well as the cases without OAPC. Based on 16 effective wavelengths selected by combination of bootstrapping soft shrinkage, random frog and Pearson's correlation, CNN and OAPC exhibited excellent performance with R2cor of 0.9560 and RMSEcor of 0.0730. Meanwhile, only 5% correction samples were selected by Kennard-Stone for OAPC. Overall, the proposed method could alleviate the impact of operator differences on spectral analysis, thereby providing potential to correct differences from measurement instruments or environments.

Reflectance Spectroscopy with Multivariate Methods for Non-Destructive Discrimination of Edible Oil Adulteration.

The visible and near-infrared (Vis-NIR) reflectance spectroscopy was utilized for the rapid and nondestructive discrimination of edible oil adulteration. In total, 110 samples of sesame oil and rapeseed oil adulterated with soybean oil in different levels were produced to obtain the reflectance spectra of 350-2500 nm. A set of multivariant methods was applied to identify adulteration types and adulteration rates. In the qualitative analysis of adulteration type, the support vector machine (SVM) method yielded high overall accuracy with multiple spectra pretreatments. In the quantitative analysis of adulteration rate, the random forest (RF) combined with multivariate scattering correction (MSC) achieved the highest identification accuracy of adulteration rate with the full wavelengths of Vis-NIR spectra. The effective wavelengths of the Vis-NIR spectra were screened to improve the robustness of the multivariant methods. The analysis results suggested that the competitive adaptive reweighted sampling (CARS) was helpful for removing the redundant information from the spectral data and improving the prediction accuracy. The PLSR + MSC + CARS model achieved the best prediction performance in the two adulteration cases of sesame oil and rapeseed oil. The coefficient of determination (RPcv2) and the root mean square error (RMSEPcv) of the prediction set were 0.99656 and 0.01832 in sesame oil adulterated with soybean oil, and the RPcv2 and RMSEPcv were 0.99675 and 0.01685 in rapeseed oil adulterated with soybean oil, respectively. The Vis-NIR reflectance spectroscopy with the assistance of multivariant analysis can effectively discriminate the different adulteration rates of edible oils.

Rapid Detection of Fatty Acids in Edible Oils Using Vis-NIR Reflectance Spectroscopy with Multivariate Methods.

The composition and content of fatty acids are critical indicators to identify the quality of edible oils. This study was undertaken to establish a rapid determination method for quality detection of edible oils based on quantitative analysis of palmitic acid, stearic acid, arachidic acid, and behenic acid. Seven kinds of oils were measured to obtain Vis-NIR spectra. Multivariate methods combined with pretreatment methods were adopted to establish quantitative analysis models for the four fatty acids. The model of support vector machine (SVM) with standard normal variate (SNV) pretreatment showed the best predictive performance for the four fatty acids. For the palmitic acid, the determination coefficient of prediction (RP2) was 0.9504 and the root mean square error of prediction (RMSEP) was 0.8181. For the stearic acid, RP2 and RMSEP were 0.9636 and 0.2965. In the prediction of arachidic acid, RP2 and RMSEP were 0.9576 and 0.0577. In the prediction of behenic acid, the RP2 and RMSEP were 0.9521 and 0.1486. Furthermore, the effective wavelengths selected by successive projections algorithm (SPA) were useful for establishing simplified prediction models. The results demonstrate that Vis-NIR spectroscopy combined with multivariate methods can provide a rapid and accurate approach for fatty acids detection of edible oils.