Parameter estimation in metabolic flux balance models for batch fermentation - formulation & solution using Differential Variational Inequalities (DVIs)

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dc.contributor.authorRaghunathan, Arvind U.
dc.contributor.authorRicardo Perez Correa, J.
dc.contributor.authorAgosin, Eduardo
dc.contributor.authorBiegler, Lorenz T.
dc.date.accessioned2024-01-10T13:51:46Z
dc.date.available2024-01-10T13:51:46Z
dc.date.issued2006
dc.description.abstractRecent 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.
dc.fechaingreso.objetodigital2024-03-21
dc.format.extent20 páginas
dc.fuente.origenWOS
dc.identifier.doi10.1007/s10479-006-0086-8
dc.identifier.eissn1572-9338
dc.identifier.issn0254-5330
dc.identifier.urihttps://doi.org/10.1007/s10479-006-0086-8
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/79624
dc.identifier.wosidWOS:000242603100014
dc.information.autorucIngeniería;Agosin E;S/I;99630
dc.information.autorucIngeniería;Pérez J;S/I;100130
dc.issue.numero1
dc.language.isoen
dc.nota.accesocontenido parcial
dc.pagina.final270
dc.pagina.inicio251
dc.publisherSPRINGER
dc.revistaANNALS OF OPERATIONS RESEARCH
dc.rightsacceso restringido
dc.subjectNLP
dc.subjectMPCC
dc.subjectflux balance analysis
dc.subjectdifferential variational inequality
dc.subjectfermentation
dc.subjectdynamic optimization
dc.subjectparameter estimation
dc.subjectSACCHAROMYCES-CEREVISIAE
dc.subjectPROGRAMS
dc.subject.ods03 Good Health and Well-being
dc.subject.odspa03 Salud y bienestar
dc.titleParameter estimation in metabolic flux balance models for batch fermentation - formulation & solution using Differential Variational Inequalities (DVIs)
dc.typeartículo
dc.volumen148
sipa.codpersvinculados99630
sipa.codpersvinculados100130
sipa.indexWOS
sipa.indexScopus
sipa.trazabilidadCarga SIPA;09-01-2024
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