Application of factor analysis to the resolution of biochemical reaction networks

Harmon, Jeffrey L.; Duboc, Ph.; Bonvin, Dominique

doi:10.1016/0098-1354(94)80105-3

Cited by 3 publications

(1 citation statement)

References 5 publications

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“…Rastogi et al (1990) determined the stoichiometry of the epoxydation of oleic acid. Harmon et al (1994) have used this tool for the determination of bioprocess networks.…”

Section: Singular Value Decomposition Methodsmentioning

confidence: 99%

Modeling and Optimization of Lactic Acid Synthesis by the Alkaline Degradation of Fructose in a Batch Reactor

Cabassud

Cognet

Garcia

et al. 2005

Chemical Engineering Communications

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The present work deals with the determination of the optimal operating conditions of lactic acid synthesis by the alkaline degradation of fructose. It is a complex transformation for which detailed knowledge is not available. It is carried out in a batch or semi-batch reactor. The ''Tendency Modeling'' approach, which consists of the development of an approximate stoichiometric and kinetic model, has been used. An experimental planning method has been utilized as the database for model development. The application of the experimental planning methodology allows comparison between the experimental and model response. The model is then used in an optimization procedure to compute the optimal process. The optimal control problem is converted into a nonlinear programming problem solved using the sequencial quadratic programming procedure coupled with the golden search method. The strategy developed allows simultaneously optimizing the different variables, which may be constrained. The validity of the methodology is illustrated by the determination of the optimal operating conditions of lactic acid production.

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“…Rastogi et al (1990) determined the stoichiometry of the epoxydation of oleic acid. Harmon et al (1994) have used this tool for the determination of bioprocess networks.…”

Section: Singular Value Decomposition Methodsmentioning

confidence: 99%

Modeling and Optimization of Lactic Acid Synthesis by the Alkaline Degradation of Fructose in a Batch Reactor

Cabassud

Cognet

Garcia

et al. 2005

Chemical Engineering Communications

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Sequential method for the determination of operating conditions for optimizing end-use properties of a terpolymer

Salaün

Houzelot

Villermaux

et al. 1996

The Chemical Engineering Journal and the Biochemical Engineerin

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Inference of chemical reaction networks based on concentration profiles using an optimization framework

Langary

Nikoloski

2019

Chaos: An Interdisciplinary Journal of Nonlinear Science

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Understanding the structure of reaction networks along with the underlying kinetics that lead to particular concentration readouts of the participating components is the first step toward optimization and control of (bio-)chemical processes. Yet, solutions to the problem of inferring the structure of reaction networks, i.e., characterizing the stoichiometry of the participating reactions provided concentration profiles of the participating components, remain elusive. Here, we present an approach to infer the stoichiometric subspace of a chemical reaction network from steady-state concentration data profiles obtained from a continuous isothermal reactor. The subsequent problem of finding reactions consistent with the observed subspace is cast as a series of mixed-integer linear programs whose solution generates potential reaction vectors together with a measure of their likelihood. We demonstrate the efficiency and applicability of the proposed approach using data obtained from synthetic reaction networks and from a well-established biological model for the Calvin-Benson cycle. Furthermore, we investigate the effect of missing information, in the form of unmeasured species or insufficient diversity within the data set, on the ability to accurately reconstruct the network reactions. The proposed framework is, in principle, applicable to many other reaction systems, thus providing future extensions to understanding reaction networks guiding chemical reactors and complex biological mixtures.

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Application of factor analysis to the resolution of biochemical reaction networks

Cited by 3 publications

References 5 publications

Modeling and Optimization of Lactic Acid Synthesis by the Alkaline Degradation of Fructose in a Batch Reactor

Modeling and Optimization of Lactic Acid Synthesis by the Alkaline Degradation of Fructose in a Batch Reactor

Sequential method for the determination of operating conditions for optimizing end-use properties of a terpolymer

Inference of chemical reaction networks based on concentration profiles using an optimization framework

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