关键词: 优化, 通量平衡分析, 双层规划, 对偶理论, 代谢, 1, 3-丙二醇, 甘油

Abstract: Flux balance analysis is an effective tool that can quantitatively predict the flux distribution of cellular metabolism in the study of metabolic engineering. The accuracy of this kind of predictions can be achieved by computing a reasonable objective function. This paper considers the problem of computing an objective function of glycerol metabolism in Klebsiella pneumoniae for 1, 3-propanediol production. The mathematical representation of this problem is a bilevel programming model. The dual theory of linear programming is firstly used to transform the above bilevel programming into an equivalent nonlinear optimization problem. Then the obtained problem can be solved by nonlinear optimization algorithms. Compared with the current method, the proposed approach obtains the globally optimal flux distribution of glycerol metabolism in Klebsiella pneumoniae for 1, 3-propanediol production.

Key words: optimization, flux balance analysis, bilevel programming, duality theory, metabolism, 1, 3-propanediol, glycerol