Moving Horizon Parameter Estimation for an Enzyme‐Catalyzed Transamination Reaction with Integrated Product Removal

Abstract Chiral amines are key building blocks in producing active pharmaceutical ingredients and can be synthesized via the amine transaminase pathway under mild conditions with eco‐friendly solvents. For model‐based design and control, mathematical models can be utilized. This requires reliable parameterization of the model. In this study, a model for the production of ( S )‐(3 methoxyphenyl)‐ethylamine is presented. Parameter identifiability is analyzed using the method of profile likelihoods. The parameter identifiability is then tested in two different batch operation scenarios by using moving horizon estimation, which can be applied for on‐line model adaption and control purposes. In a batch process, identifiability decreases over time. A repetitive batch strategy improves parameter identifiability.

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Publication Details

Journal
Chemie Ingenieur Technik
Published
2024-10-31
DOI
https://doi.org/10.1002/cite.202400106
Citations
1
Primary Topic
Analytical Chemistry and Chromatography
Type
article
Field-Weighted Citation Impact
0.24
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Moving Horizon Parameter Estimation for an Enzyme‐Catalyzed Transamination Reaction with Integrated Product Removal

Jessica Behrens, Jan von Langermann, Achim Kienle, Sven Tiedemann et al.
1 citations
Chemie Ingenieur Technik
Analytical Chemistry and Chromatography
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article

Moving Horizon Parameter Estimation for an Enzyme‐Catalyzed Transamination Reaction with Integrated Product Removal

Jessica Behrens, Jan von Langermann, Achim Kienle, Sven Tiedemann, Tom Kunde
article en
1 citations

Abstract

Abstract Chiral amines are key building blocks in producing active pharmaceutical ingredients and can be synthesized via the amine transaminase pathway under mild conditions with eco‐friendly solvents. For model‐based design and control, mathematical models can be utilized. This requires reliable parameterization of the model. In this study, a model for the production of ( S )‐(3 methoxyphenyl)‐ethylamine is presented. Parameter identifiability is analyzed using the method of profile likelihoods. The parameter identifiability is then tested in two different batch operation scenarios by using moving horizon estimation, which can be applied for on‐line model adaption and control purposes. In a batch process, identifiability decreases over time. A repetitive batch strategy improves parameter identifiability.

Chemie Ingenieur TechnikVol. 96(12)
Max Planck Institute for Dynamics of Complex Technical Systems (DE), Otto-von-Guericke-Universität Magdeburg (DE)
Responsible consumption and production
Openalex Percentile: Top 48%
Analytical Chemistry and Chromatography
0.24
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