Paper Info
Title
Parameter estimation in metabolic flux balance models for batch fermentation - Formulation & Solution using Differential Variational Inequalities (DVIs)
Abstract
Recent years have witnessed a surge in research in cellular biology. There has been particular interest in the interaction between cellular metabolism and its environment. In this work we present a framework for fitting fermentation models that include this interaction. Differential equations describe the evolution of extracellular metabolites, while a Linear Program (LP) models cell metabolism, and piecewise smooth functions model the links between cell metabolism and its environment. We show that the fermentation dynamics can be described using Differential Variational Inequalities (DVIs). Discretization of the system and reformulation of the VIs using optimality conditions converts the DVI to a Mathematical Program with Complementarity Constraints (MPCC). We briefly describe an interior point algorithm for solving MPCCs. Encouraging numerical results are presented in estimating model parameters to fit model prediction and data obtained from fermentation, using cultures of Saccharomyces cerevisiae reported in the literature.
Year
DOI
Venue
2006
10.1007/s10479-006-0086-8
Annals OR
Keywords
Field
DocType
NLP,MPCC,Flux balance analysis,Differential variational inequality,Fermentation,Dynamic optimization,Parameter estimation
Differential equation,Discretization,Mathematical optimization,Linear programming,Differential variational inequality,Interior point method,Piecewise,Mathematics,Flux balance analysis,Variational inequality
Journal
Volume
Issue
ISSN
148
1
0254-5330
Citations 
PageRank 
References 
9
1.10
6
Authors
4
Name
Order
Citations
PageRank
Arvind U. Raghunathan116320.63
J. Ricardo Pérez-correa2232.68
Eduardo Agosin3556.41
Lorenz T. Biegler42271185.43