Extraction of bioactive compounds from yerba mate (<i>Ilex paraguariensis St.-Hil</i>.) leaves by packed-bed extractor using hot water as solvents: Kinetics study and mathematical modeling

Luiza H. P. Domingues; Matheus S. T. Arantes; Geovana S. Marques; Charles W. I. Haminiuk; Eliton Fontana; Vitor R. da Silva; Luiza H. P. Domingues; Matheus S. T. Arantes; Geovana S. Marques; Charles W. I. Haminiuk; Eliton Fontana; Vitor R. da Silva

doi:10.3934/molsci.2024003

AIMS Molecular Science

2024, Volume 11, Issue 1: 42-60. doi: 10.3934/molsci.2024003

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Extraction of bioactive compounds from yerba mate (Ilex paraguariensis St.-Hil.) leaves by packed-bed extractor using hot water as solvents: Kinetics study and mathematical modeling

1.
Graduate Program in Food Engineering, Federal University of Paraná, Francisco H. Santos St. 100, 81530-000, Curitiba, Paraná State, Brazil
2.
Embrapa Florestas, Estrada da Ribeira St. 111, 83411-000, Colombo, Paraná State, Brazil
3.
Chemistry and Biology Academic Department, Federal University of Technology, Deputado Heitor de Alencar Furtado St., 5000, 87301-899, Curitiba, Parana State, Brazil
4.
Department of Chemical Engineering, Federal University of Paraná, Francisco H. Santos St. 100, 81530-000, Curitiba, Paraná State, Brazil

Received: 29 September 2023 Revised: 22 December 2023 Accepted: 15 January 2024 Published: 30 January 2024

The aqueous packed-bed extraction of bioactive compounds from yerba mate leaves was evaluated given their potential application in the food industry. The influence of temperature (50–70 °C) and feed flow rate (10–20 cm³/min) was investigated by central composite design. A mathematical model derived from the differential equation of mass conservation in solid and liquid phases was used to describe the concentration of total phenolic concentration over time, considering a finite volume-based algorithm to solve this multiscale model along the column length and particle radius. The findings demonstrated that higher temperatures improved bioactive chemical extraction yields, although feed flow rate played a role at low temperatures because it improved external mass transfer. Caffeic acid, caffeine, and chlorogenic acid were the principal bioactive chemicals studied, with the highest concentrations extracted being 156.3 × 10⁻², 273.5 × 10⁻², and 351.6 × 10⁻² mg/g_YM (mg of bioactive per g of yerba mate), respectively, obtained after 60 minutes of extraction process at 70 °C and a flow rate of 10 cm³/min. The amount of these predominant bioactive compounds extracted exceeded 90% of the total content that could be obtained using water as a solvent. The mathematical model evaluated showed relative mean errors lower than 3% and R² higher than 98%, suggesting a good fit for the experimental data, with the external mass transfer and effective intraparticle diffusion coefficients ranging between 8.75 × 10⁻⁸ to 1.77 × 10⁻⁶ m/s and 9.34 × 10⁻¹¹ to 3.06 × 10⁻⁹ m²/s, respectively.
- green extraction process,
- fixed-bed extractor,
- caffeic acid,
- caffeine,
- diffusion coefficient
Citation: Luiza H. P. Domingues, Matheus S. T. Arantes, Geovana S. Marques, Charles W. I. Haminiuk, Eliton Fontana, Vitor R. da Silva. Extraction of bioactive compounds from yerba mate (Ilex paraguariensis St.-Hil.) leaves by packed-bed extractor using hot water as solvents: Kinetics study and mathematical modeling[J]. AIMS Molecular Science, 2024, 11(1): 42-60. doi: 10.3934/molsci.2024003

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Abstract

The aqueous packed-bed extraction of bioactive compounds from yerba mate leaves was evaluated given their potential application in the food industry. The influence of temperature (50–70 °C) and feed flow rate (10–20 cm³/min) was investigated by central composite design. A mathematical model derived from the differential equation of mass conservation in solid and liquid phases was used to describe the concentration of total phenolic concentration over time, considering a finite volume-based algorithm to solve this multiscale model along the column length and particle radius. The findings demonstrated that higher temperatures improved bioactive chemical extraction yields, although feed flow rate played a role at low temperatures because it improved external mass transfer. Caffeic acid, caffeine, and chlorogenic acid were the principal bioactive chemicals studied, with the highest concentrations extracted being 156.3 × 10⁻², 273.5 × 10⁻², and 351.6 × 10⁻² mg/g_YM (mg of bioactive per g of yerba mate), respectively, obtained after 60 minutes of extraction process at 70 °C and a flow rate of 10 cm³/min. The amount of these predominant bioactive compounds extracted exceeded 90% of the total content that could be obtained using water as a solvent. The mathematical model evaluated showed relative mean errors lower than 3% and R² higher than 98%, suggesting a good fit for the experimental data, with the external mass transfer and effective intraparticle diffusion coefficients ranging between 8.75 × 10⁻⁸ to 1.77 × 10⁻⁶ m/s and 9.34 × 10⁻¹¹ to 3.06 × 10⁻⁹ m²/s, respectively.

Acknowledgments

The authors are grateful for a scholarship provided by CAPES, a research grant, and support from the Graduation Program of Food Engineering (Federal University of Paraná, Curitiba, Brazil); the Multiuser Laboratory of Equipment and Environmental Analysis (LAMEAA) from the Federal Technological University of Paraná (UTFPR) for their technical support; and the yerba mate supplied by Baldo S.A.

Conflict of interest

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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