Department of Engineering, Federal University of Lavras, Lavras 37200-000, MG, Brazil.
School of Food Engineering, University of Campinas, Campinas 13083-862, SP, Brazil.
Molecules. 2023 Jul 24;28(14):5617. doi: 10.3390/molecules28145617.
Lignocellulosic biomasses have a complex and compact structure, requiring physical and/or chemical pretreatments to produce glucose before hydrolysis. Mathematical modeling of enzymatic hydrolysis highlights the interactions between cellulases and cellulose, evaluating the factors contributing to reactor scale-up and conversion rates. Furthermore, this study evaluated the influence of two pretreatments (hydrothermal and organosolv) on the kinetics of enzymatic hydrolysis of sugarcane bagasse. The kinetic parameters of the model were estimated using the Pikaia genetic algorithm with data from the experimental profiles of cellulose, cellobiose, glucose, and xylose. The model considered the phenomenon of non-productive adsorption of cellulase on lignin and inhibition of cellulase by xylose. Moreover, it included the behavior of cellulase adsorption on the substrate throughout hydrolysis and kinetic equations for obtaining xylose from xylanase-catalyzed hydrolysis of xylan. The model for both pretreatments was experimentally validated with bagasse concentration at 10% /. The Plackett-Burman design identified 17 kinetic parameters as significant in the behavior of process variables. In this way, the modeling and parameter estimation methodology obtained a good fit from the experimental data and a more comprehensive model.
木质纤维素生物质具有复杂而紧凑的结构，在水解之前需要进行物理和/或化学预处理以生产葡萄糖。酶水解的数学建模突出了纤维素酶与纤维素之间的相互作用，评估了有助于反应器放大和转化率的因素。此外，本研究评估了两种预处理（水热法和有机溶剂法）对甘蔗渣酶水解动力学的影响。使用 Pikaia 遗传算法，根据纤维素、纤维二糖、葡萄糖和木糖的实验曲线数据来估算模型的动力学参数。该模型考虑了纤维素酶在木质素上非生产性吸附的现象以及木糖对纤维素酶的抑制作用。此外，它还包括纤维素酶在水解过程中对底物的吸附行为以及从木聚糖酶催化的木聚糖水解获得木糖的动力学方程。对两种预处理方法进行了实验验证，甘蔗渣浓度为 10%/。Plackett-Burman 设计确定了 17 个动力学参数在过程变量的行为中具有重要意义。通过这种方式，建模和参数估计方法从实验数据中获得了很好的拟合度和更全面的模型。
