Numerical Modeling of Multilayer Biosensor with Degrading Substrate and Product

Tadas Mekauskas, F. Ivanauskas, V. Laurinavicius
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引用次数: 2

Abstract

Numerical simulations of multilayer electrochemical biosensor with degradation of substrate and/or product have been presented. Action of the enzyme has been assumed to be a Michaelis--Menten process. Two cases: when product diffuses out of the biosensor and when the outer membrane is impermeable for product have been dealt with by adjusting boundary conditions in the mathematical model. A few versions of numerical algorithm, based on the Crank--Nicolson method, have been elaborated. Computed curves of current density have demonstrated analogous profiles to those observed in real experiments. Numerical evidence has shown that if uniform grid is employed to partition the time variable, the algorithm produces some oscillatory artifacts (in the profile of substrate concentration) near boundary of the outer layer. Counter intuitively, employing non-uniform grid in the direction of coordinate variable (distance to the biosensor electrode), can also result in such oscillations. However, these artifacts do not appear in any other part of substrate or product concentration profiles, also, they do not propagate to the electrode, hence they have no effect on evaluation of biosensor response. For best results we recommend to use uniform grid in coordinate direction and non-uniform (finer at the starting moment of modeling) grid in time direction.
具有降解底物和产物的多层生物传感器的数值模拟
对具有降解底物和/或产物的多层电化学生物传感器进行了数值模拟。酶的作用被认为是米切利斯-门腾过程。通过调整数学模型中的边界条件,处理了两种情况:产品扩散出生物传感器时和产品外膜不渗透时。在曲克—尼科尔森方法的基础上,阐述了几个版本的数值算法。计算得到的电流密度曲线与实际实验结果相似。数值证据表明,如果采用均匀网格划分时间变量,该算法会在外层边界附近产生一些振荡伪影(在底物浓度剖面中)。与直觉相反,在坐标变量(到生物传感器电极的距离)的方向上使用非均匀网格也会导致这种振荡。然而,这些伪影不会出现在底物或产品浓度曲线的任何其他部分,也不会传播到电极,因此它们对生物传感器响应的评估没有影响。为了获得最佳效果,我们建议在坐标方向上使用均匀网格,在时间方向上使用非均匀网格(在建模开始时更精细)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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