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

• Published in: Food chemistry Vol. 365; p. 130468
• Main Authors: Cerqueira da Silva, Vinnícius Henrique, Sampaio da Silva junior, André Luiz, Pinheiro Lôbo, Ivon, Galvao Paranhos da Silva, Erik, Almeida Bezerra, Marcos, Gonçalves Silva, Allison, da Silva Lima, Luciano, Mota de Jesus, Raildo
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 15-12-2021
• Subjects: Constrained mixture design; Multivariate analysis; Paullinia cupana; Sample preparation; Soft and energy drinks; Constrained mixture design; Sample preparation; Multivariate analysis; Soft and energy drinks; Paullinia cupana
• ISSN: 0308-8146; 1873-7072
• DOI: 10.1016/j.foodchem.2021.130468

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•Caffeine, epicatechin, and mineral nutrients contents from guarana-based drinks.•A microwave assisted digestion procedure was developed for elemental analysis.•Mixture design and desirability function were used to simultaneous optimization.•Efficiency in the mineralization of a large volume of soft and energy drinks.•Exploratory analysis tools applied in the obtained data to evidence latent information.
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.