近年研究中，對於細胞中主要代謝途徑如醣酵解作用(glycolysis)、檸檬酸循環(tricarboxylic acid cycle)、五碳醣磷酸(pentose phosphate)以及回補途徑(anapleorotic pathway)等建立了數學模型，用以模擬代謝物反應的行為。而這些理論更被用在結核桿菌(Mycobacterium tuberculosis)、盤基網柄菌(Dictyostelium discoideum)、釀酒酵母(Saccharomyces cerevisiae)和大腸桿菌(Escherichia coli)上面進行不同的用途。
從生化實驗中得知，出血性大腸桿菌(E. coli O157:H7)中檸檬酸循環過程的琥珀酸去氫酶(succinate dehydrogenase)做一突變時，其代謝物反應濃度會有顯著的差異。本論文中我們將針對出血性大腸桿菌提出相對應之數學模型，並基於Matlab在控制、數值領域應用上的便利性建立其模擬環境，如此可以透過數值模擬各代謝物濃度變化來比對實驗數據，驗證模組的可行性，另外使用此模組來預測其他酵素突變的關係。在此所提出的相關參數、模型以及實驗數據實際上都是以體外環境(vivo environment)做討論。

In the recent years, many efforts have been given to simulate the dynamic behavior of metabolism of a cell using mathematical models for the main metabolic pathways such as glycolysis, tricarboxylic acid cycle (TCA cycle), pentose phosphate (PP) pathway, and the anapleorotic pathways, etc. These models have been applied to the Mycobacterium tuberculosis, Dictyostelium discoideum, Saccharomyces cerevisiae and Escherichia (E.) coli for different verification purposes.
The significant change of metabolite concentrations as knockout of succinate dehydrogenase on metabolism in TCA cycle of E. coli O157:H7 has been observed from experiments in biochemistry. Here we construct a mathematical model to describe this observation by using the simulation environment of Matlab. A least-square iterative scheme is proposed to tune the kinetic parameters in the model so as to minimize the matching error between the output of the model and the experimental data. The metabolite concentrations computed by the model are compared with the experimental data to verify the feasibility of the proposed model. Based on the same model, we also reveal predictions on new mutants, which are to be confirmed by experiments.

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