Jessica Behrens, Sven Tiedemann, Tom Kunde, Prof. Dr. Jan von Langermann, Prof. Dr.-Ing. Achim Kienle
{"title":"Moving Horizon Parameter Estimation for an Enzyme-Catalyzed Transamination Reaction with Integrated Product Removal","authors":"Jessica Behrens, Sven Tiedemann, Tom Kunde, Prof. Dr. Jan von Langermann, Prof. Dr.-Ing. Achim Kienle","doi":"10.1002/cite.202400106","DOIUrl":null,"url":null,"abstract":"<p>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 (<i>S</i>)-(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.</p>","PeriodicalId":9912,"journal":{"name":"Chemie Ingenieur Technik","volume":"96 12","pages":"1751-1766"},"PeriodicalIF":1.6000,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cite.202400106","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemie Ingenieur Technik","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cite.202400106","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
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.
期刊介绍：
Die Chemie Ingenieur Technik ist die wohl angesehenste deutschsprachige Zeitschrift für Verfahrensingenieure, technische Chemiker, Apparatebauer und Biotechnologen. Als Fachorgan von DECHEMA, GDCh und VDI-GVC gilt sie als das unverzichtbare Forum für den Erfahrungsaustausch zwischen Forschern und Anwendern aus Industrie, Forschung und Entwicklung. Wissenschaftlicher Fortschritt und Praxisnähe: Eine Kombination, die es nur in der CIT gibt!
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
