Accurate estimation of saffron purity is essential for ensuring product integrity, particularly in the presence of common chemical adulterants such as tartrazine, sunset yellow, and quinoline yellow. This study introduces the alternating conditional expectations (ACE) algorithm, coupled with diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), as an innovative chemometric approach to address this challenge. The ACE algorithm utilizes optimal transformations for both independent and dependent variables, revealing non-linear relationships and maximizing linear effects between transformed variables. To prepare the spectral data for ACE modeling, we will perform moving average smoothing and Standard Normal Variate (SNV) transformation for preprocessing. Subsequently, we will employ the duplex algorithm to select both calibration and prediction sets from the preprocessed data matrix. The effectiveness of the ACE model was evaluated using several metrics, including the coefficient of determination (R2), adjusted R-squared (R2adj), sum of squared errors (SSE), Regression Sum of Squares (SSR) and mean squared error (MSE). ACE model exhibited excellent performance in determining saffron content even in the presence of adulterants like tartrazine, sunset yellow, and quinoline yellow, on both calibration and prediction sets. Our model achieved excellent performance on both datasets. On the calibration set, a high R2 value (0.9951) indicates a strong correlation between predicted and observed saffron content in the model. The R2adj (0.9950) further strengthens this conclusion by accounting for model complexity, suggesting the model avoids overfitting. These findings are complemented by robustness measures. The statistical parameters of the ACE model, such as total sum of squares (SST) (1.103∗104), SSR (1.098∗104), SSE (54.414), and MSE (0.878), were calculated to compare the performance of the developed methods for determining Saffron's concentration in each mixed sample.
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