Chemometric tools in the optimization of a microwave-assisted digestion procedure for guarana-based drink samples and data analysis from elemental, caffeine, and epicatechin contents.

Abstract In this work, a method was developed for the determination of Na, K, Ca, Mg, P, S, Fe, Zn, Mn, and Cu by ICP OES and caffeine and epicatechin by HPLC-DAD in industrialized guarana-based beverages. The acid digestion in microwave oven was optimized by constrained mixture design. The optimum volumes found for the reagents were 2.60 mL (HNO3), 1.80 mL (H2O2), and 0.60 mL (HCl) for a final volume of 10 mL, resulting in a final digestate with residual acidity of 0.8 mol L−1 and 9% for residual carbon content. The detection limits found for the studied elements were between 0.0010 and 0.050 mg L−1. Precision (%RSD) was always below 6%. Accuracy was assessed by analyzing a certified reference material and addition and recovery tests. PCA and HCA were applied to caffeine, epicatechin and elemental concentrations aiming to evidence latent information.