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An explicit expression for determining cometabolism kinetics using progress curve analysis

机译:使用进度曲线分析确定代谢代谢动力学的明确表达式

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We present an explicit expression for describing the kinetics of cometabolic biotransformation of environmental pollutants. This expression is based on the Lambert W function and explicitly relates the substrate concentration, S, to time, t, the two experimentally measured variables. This explicit relationship simplifies kinetic parameter estimation as differential equation solution and iterative estimation of the substrate concentration are eliminated. The applicability of this new expression for nonlinear kinetic parameter estimation was first demonstrated using noise containing synthetic data where final estimates of the kinetic parameters were very close to their actual values. Subsequently 1.1.1-trichloroethane degradation data at initial concentrations of 750 and 375 mu M were described using the explicit expression resulting in r and K-s estimates of 0.26 mu M/mg d and 28.08 mu M and 0.30 mu M/mg d and 28.70 mu M, respectively, very similar to 0.276 mu M/mg d and 31.2 mu M, respectively, that were reported in the original study. The new explicit expression presented in this study simplifies estimation of cometabolic kinetic parameters and can be easily used across all computational platforms thereby providing an attractive alternative for progress curve analysis. (C) 2012 Elsevier B.V
机译:我们提出了一个明确的表达式来描述环境污染物的代谢生物转化动力学。该表达式基于Lambert W函数,并将底物浓度S与时间t(两个实验测量的变量)明确相关。该显式关系简化了动力学参数估计,因为无需使用微分方程解,并且无需进行底物浓度的迭代估计。首先使用包含噪声的合成数据证明了该新表达式在非线性动力学参数估计中的适用性,其中动力学参数的最终估计值非常接近其实际值。随后,使用显式表达式描述了初始浓度为750和375μM时1.1.1-三氯乙烷的降解数据,得出r和Ks估计为0.26μM/ mg d和28.08μM,0.30μM/ mg d和28.70 mu M分别与原始研究报道的0.276μM/ mg d和31.2μM非常相似。本研究中提出的新的显式表达式简化了对代谢动力学参数的估计,并且可以轻松地在所有计算平台上使用,从而为进度曲线分析提供了有吸引力的替代方法。 (C)2012 Elsevier B.V

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