Vol. 23, No. 3 (2024), Sim24312 https://doi.org/10.24275/rmiq/Sim24312


Modelling and analysis on the ethanol production by the Torulaspora delbrueckii yeast


 

Authors

P.A. Valle, Y. Salazar, N. O. Soto-Cruz, J.B. Páez-Lerma, L. N. Coria, M. E. Núñez-Guerrero, R. Rodriguez-Herrera, L. D. Herrera


Abstract

This work presents two mechanistic models composed of first-order nonlinear Ordinary Differential Equations (ODEs). These systems describe the evolution of alcoholic fermentation (ethanol production) by Torulaspora delbrueckii yeast when glucose and fructose are used as substrates. The set of ODEs was fitted to three sets of experimental data for the concentration (in g/L per hour) of glucose [], fructose [], and ethanol []. The parameter values for each equation were estimated using a computational algorithm for nonlinear regression through least squares with a 95% confidence interval to determine if the obtained values were statistically significant. The fitting ability of the models to reproduce experimental data was also assessed using the coefficient of determination (R2) and the Akaike Information Criterion (AIC). Additionally, numerical simulations were employed to illustrate the analysis results and predict ethanol concentration after the 72 hours during which the experimental data were recorded. Furthermore, the asymptotic stability of each formulated system was analyzed using the Lyapunov stability theory, and its global dynamics were explored through the method of Localizing Compact Invariant Sets.


Keywords

Alcoholic fermentation; Biostatistics; Dynamical systems; Experimental data; In- silico experimentation.


References

  • Byers, J. P., & Sarver, J. G. (2009). Pharmacokinetic modeling. In Pharmacology (pp. 201-277). Academic Press. https://doi.org/10.1016/B978-0-12-369521-5.00010-5
  • De Leenheer, P., & Aeyels, D. (2001). Stability properties of equilibria of classes of cooperative systems. IEEE Transactions on Automatic Control, 46(12), 1996-2001. https://doi.org/ 10.1109/9.975508
  • De los Rios-Deras, G.C., Rutiaga-Quiñones, O. M., López-Miranda, J., Páez-Lerma, J. B., López, M., & Soto-Cruz, N. O. (2015). Improving Agave duranguensis must for enhanced fermentation: C/N ratio effects on mezcal composition and sensory properties. Revista Mexicana de Ingeniería Química, 14(2), 363-371.
  • Dutraive, O., Benito, S., Fritsch, S., Beisert, B., Patz, C. D., & Rauhut, D. (2019). Effect of sequential inoculation with non-Saccharomyces and Saccharomyces yeasts on riesling wine chemical composition. Fermentation, 5(3), 79. https://doi.org/10.3390/fermentation5030079
  • Escribano-Viana, R., González-Arenzana, L., Garijo, P., Fernández, L., López, R., Santamaría, P., & Gutiérrez, A. R. (2022). Bioprotective effect of a Torulaspora delbrueckii/Lachancea thermotolerans-mixed inoculum in red winemaking. Fermentation, 8(7), 337. https://doi.org/10.3390/fermentation8070337
  • Fernandes, T., Silva-Sousa, F., Pereira, F., Rito, T., Soares, P., Franco-Duarte, R., & Sousa, M. J. (2021). Biotechnological importance of Torulaspora delbrueckii: From the obscurity to the spotlight. Journal of Fungi, 7(9), 712. https://doi.org/10.3390/jof7090712
  • Garcia, B. E., Rodriguez, E., Salazar, Y., Valle, P. A., Flores-Gallegos, A. C., Rutiaga-Quiñones, O. M., & Rodriguez-Herrera, R. (2021). Primary model for biomass growth prediction in batch fermentation. Symmetry, 13(08), 1468. https://doi.org/10.3390/sym13081468
  • Garfinkel, A., Shevtsov, J., & Guo, Y. (2017). Modeling life: the mathematics of biological systems. Springer International Publishing AG.
  • Guerrero, M. E. N., Vázquez, E. S., Páez-Lerma, J. B., Herrera, R. R., & Soto-Cruz, N. O. (2019). Physiological characterization of two native yeasts in pure and mixed culture using fermentations of agave juice. Ciencia e investigación agraria: revista latinoamericana de ciencias de la agricultura, 46(1), 1-11.
  • Khalil, H. K. (2002). Nonlinear systems. Prentice-Hall, USA.
  • Krishchenko, A. P., & Starkov, K. E. (2006). Localization of compact invariant sets of the Lorenz system. Physics Letters A, 353(5), 383-388. https://doi.org/10.1016/j.physleta.2005.12.104
  • Ledder, G. (2022). Mentoring Undergraduate Research in Mathematical Modeling. Bulletin of Mathematical Biology, 84(8), 77. https://doi.org/10.1007/s11538-022-01040-4
  • Madni, A. M., Madni, C. C., & Lucero, S. D. (2019). Leveraging digital twin technology in model-based systems engineering. Systems, 7(1), 7.
  • MathWorks. (n.d.) fitnlm: Fit nonlinear regression model. https://www.mathworks.com/help/stats/fitnlm.html. Acceso: Febrero 4, 2024.
  • Motulsky, H. (2014). Intuitive biostatistics: a nonmathematical guide to statistical thinking. Oxford University Press, USA.
  • Nuñez-Guerrero, M. E., Páez-Lerma, J. B., Rutiaga-Quiñones, O. M., González-Herrera, S. M., & Soto-Cruz, N. O. (2016). Performance of mixtures of Saccharomyces and non-Saccharomyces native yeasts during alcoholic fermentation of Agave duranguensis juice. Food Microbiology, 54, 91-97. https://doi.org/10.1016/j.fm.2015.10.011
  • Padmanabhan, R., Meskin, N., & Al Moustafa, A. E. (2021). Mathematical models of cancer and different therapies. Springer, Singapore.
  • Salazar, Y., Valle, P. A., Rodríguez, E., Soto-Cruz, N. O., Páez-Lerma, J. B., & Reyes-Sánchez, F. J. (2023). Mechanistic Modelling of Biomass Growth, Glucose Consumption and Ethanol Production by Kluyveromyces marxianus in Batch Fermentation. Entropy, 25(3), 497. https://doi.org/10.3390/e25030497
  • Tondini, F., Onetto, C. A., & Jiranek, V. (2020). Early adaptation strategies of Saccharomyces cerevisiae and Torulaspora delbrueckii to co-inoculation in high sugar grape must-like media. Food Microbiology, 90, 103463. https://doi.org/10.1016/j.fm.2020.103463
  • Valle, P. A., Coria, L. N., Plata, C., & Salazar, Y. (2021). CAR-T cell therapy for the treatment of ALL: Eradication conditions and in silico experimentation. Hemato, 2(3), 441-462. https://doi.org/10.3390/hemato2030028
  • Wolfenden, R., & Yuan, Y. (2008). Rates of spontaneous cleavage of glucose, fructose, sucrose, and trehalose in water, and the catalytic proficiencies of invertase and trehalas. Journal of the American Chemical Society, 130(24), 7548-7549. https://doi.org/10.1021/ja802206s
  • Yang, Y., & Sha, M. (2019). A beginner’s guide to bioprocess modes–batch, fed-batch, and continuous fermentation. Enfield, CT: Eppendorf Inc, 408, 1-16.