Identification and quantitative detection of illegal additives in wheat flour based on near-infrared spectroscopy combined with chemometrics

As a common food raw material in daily life, the quality and safety of wheat flour are directly related to people's health. In this study, a model was developed for the rapid identification and detection of three illegal additives in flour, namely azodicarbonamide (ADA), talcum powder, and gypsum powder. This model utilized a combination of near-infrared spectroscopy with chemometric methods. A one-dimensional convolutional neural network was used to reduce data dimensionality, while a support vector machine was applied for non-linear classification to identify illegal additives in flour. The model achieved a calibration set F1 score of 99.38% and accuracy of 99.63%, with a validation set F1 score of 98.81% and accuracy of 98.89%. Two cascaded wavelength selection methods were introduced: The first method involved backward interval partial least squares (BiPLS) combined with an improved binary particle swarm optimization algorithm (IBPSO). The second method utilized the CARS-IBPSO algorithm, which integrated competitive adaptive reweighted sampling (CARS) with IBPSO. The two cascade wavelength selection methods were used to select feature wavelengths associated with additives and construct partial least squares quantitative detection models. The models constructed using CARS-IBPSO selected feature wavelengths for detecting ADA, talcum powder, and gypsum powder exhibited the highest overall performance. The model achieved validation set determination coefficients of 0.9786, 0.9102, and 0.9226, with corresponding to root mean square errors of 0.0024%, 1.3693%, and 1.6506% and residual predictive deviations of 6.8368, 3.5852, and 3.9253, respectively. Near-infrared spectroscopy in combination with convolutional neural network dimensionality reduction and support vector machine classification enabled rapid identification of various illegal additives. The combination of CARS-IBPSO feature wavelength selection and partial least squares regression models facilitated rapid quantitative detection of these additives. This study introduces a new approach for rapidly and accurately identifying and detecting illegal additives in flour.