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Modeling in Expanded Bed Adsorption Chromatography

机译:膨胀床吸附色谱中的建模

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Background: Expanded Bed Adsorption Chromatography (EBAC) has emerged as a powerful technique in downstream processing mainly for avoiding the need for a clarification step such as filtration or centrifugation, during the initial capture of the target molecule, thus reducing both the step numbers and overall costs as well as increasing productivity. The use of models to represent the EBAC systems is crucial during the process scale-up. Among the many models used to model chromatographic systems it can be cited the phenomenological general rate model (white-box) as the black-box models as for instance Artificial Neural Network (ANN). Methods: The goal of this work is to use the general rate model (porous diffusion model) to predict both flow-through as well as washing steps and to use the ANN to predict the chromatogram profile during chitosanase purification protocol using EBAC. Results: Using the general rate model it was observed that superficial velocity has a major influence on the breakthrough curve compared to axial dispersion as well as the initial enzymatic concentration. Also, change on the effective diffusivity and axial solid coefficient did not change the breakthrough curve profile. A backpropagation-ANN with twelve at hidden layer adjusted the three steps quite well. Conclusion: Phenomenological models such as the porous diffusion here used depend on parameter estimation. This can be a quite challenge for EBAC since a lot of parameters are involved therefore learning network such as ANN can stand out.
机译:背景技术:扩展床吸附色谱法(EBAC)已成为下游工艺中的一项强大技术,主要是为了避免在最初捕获目标分子的过程中需要澄清步骤(例如过滤或离心),从而减少了步骤数和总体成本以及提高生产率。在流程放大过程中,使用模型表示EBAC系统至关重要。在许多用于色谱系统建模的模型中,可以引用现象学通用速率模型(白盒)作为黑盒模型,例如人工神经网络(ANN)。方法:这项工作的目的是使用通用速率模型(多孔扩散模型)来预测流通和洗涤步骤,并使用ANN来预测在使用EBAC的壳聚糖酶纯化方案过程中的色谱图。结果:使用一般速率模型,观察到与轴向分散和初始酶浓度相比,表面速度对穿透曲线有重要影响。同样,有效扩散率和轴向固体系数的变化并没有改变穿透曲线的轮廓。具有十二个隐藏层的反向传播ANN很好地调整了这三个步骤。结论:此处使用的现象学模型(例如,多孔扩散)取决于参数估计。对于EBAC而言,这可能是一个相当大的挑战,因为涉及许多参数,因此像ANN这样的学习网络可以脱颖而出。

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