Methodological Approach for Modeling of Multienzyme in-pot Processes

Paloma de Gracia Andrade Santacoloma; Alicia Roman Martinez; Gürkan Sin; Krist Gernaey; John Woodley

doi:10.1016/B978-0-444-54298-4.50048-9

Methodological Approach for Modeling of Multienzyme in-pot Processes

Department of Chemical and Biochemical Engineering

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

Abstract

This paper presents a methodological approach for modeling multi-enzyme in-pot processes. The methodology is exemplified stepwise through the bi-enzymatic production of N-acetyl-D-neuraminic acid (Neu5Ac) from N-acetyl-D-glucosamine (GlcNAc). In this case study, sensitivity analysis is also used to evaluate the reliability of all parameters of the model suggested in literature [5], Results, from the sensitivity analysis, are used as criteria for a systematic simplification of the model structure. Consequently, model complexity was reduced without compromising the general predictive performance. A deviation of less than 5% from the original model was found.

Original language	English
Title of host publication	21st European Symposium on Computer Aided Process Engineering
Publisher	Elsevier
Publication date	2011
Pages	1346-1350
ISBN (Print)	978-0-444-53895-6
DOIs	https://doi.org/10.1016/B978-0-444-54298-4.50048-9
Publication status	Published - 2011
Event	21st European Symposium on Computer Aided Process Engineering - Chalkidiki, Greece Duration: 29 May 2011 → 1 Jun 2011 http://www.escape-21.gr/

Conference

Conference	21st European Symposium on Computer Aided Process Engineering
Country/Territory	Greece
City	Chalkidiki
Period	29/05/2011 → 01/06/2011
Internet address	http://www.escape-21.gr/

Series	Computer Aided Chemical Engineering
Number	29
ISSN	1570-7946

Keywords

Multi-enzyme in-pot
Neu5Ac production
Mathematical model

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title = "Methodological Approach for Modeling of Multienzyme in-pot Processes",

abstract = "This paper presents a methodological approach for modeling multi-enzyme in-pot processes. The methodology is exemplified stepwise through the bi-enzymatic production of N-acetyl-D-neuraminic acid (Neu5Ac) from N-acetyl-D-glucosamine (GlcNAc). In this case study, sensitivity analysis is also used to evaluate the reliability of all parameters of the model suggested in literature [5], Results, from the sensitivity analysis, are used as criteria for a systematic simplification of the model structure. Consequently, model complexity was reduced without compromising the general predictive performance. A deviation of less than 5\% from the original model was found.",

keywords = "Multi-enzyme in-pot, Neu5Ac production, Mathematical model",

author = "\{Andrade Santacoloma\}, \{Paloma de Gracia\} and \{Roman Martinez\}, Alicia and G{\"u}rkan Sin and Krist Gernaey and John Woodley",

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pages = "1346--1350",

booktitle = "21st European Symposium on Computer Aided Process Engineering",

address = "United Kingdom",

note = "21st European Symposium on Computer Aided Process Engineering, ESCAPE 21 ; Conference date: 29-05-2011 Through 01-06-2011",

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Andrade Santacoloma, PDG, Roman Martinez, A, Sin, G , Gernaey, K & Woodley, J 2011, Methodological Approach for Modeling of Multienzyme in-pot Processes. in 21st European Symposium on Computer Aided Process Engineering. Elsevier, Computer Aided Chemical Engineering, no. 29, pp. 1346-1350, 21st European Symposium on Computer Aided Process Engineering, Chalkidiki, Greece, 29/05/2011. https://doi.org/10.1016/B978-0-444-54298-4.50048-9

Methodological Approach for Modeling of Multienzyme in-pot Processes. / Andrade Santacoloma, Paloma de Gracia; Roman Martinez, Alicia; Sin, Gürkan et al.
21st European Symposium on Computer Aided Process Engineering. Elsevier, 2011. p. 1346-1350 (Computer Aided Chemical Engineering; No. 29).

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

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N2 - This paper presents a methodological approach for modeling multi-enzyme in-pot processes. The methodology is exemplified stepwise through the bi-enzymatic production of N-acetyl-D-neuraminic acid (Neu5Ac) from N-acetyl-D-glucosamine (GlcNAc). In this case study, sensitivity analysis is also used to evaluate the reliability of all parameters of the model suggested in literature [5], Results, from the sensitivity analysis, are used as criteria for a systematic simplification of the model structure. Consequently, model complexity was reduced without compromising the general predictive performance. A deviation of less than 5% from the original model was found.

AB - This paper presents a methodological approach for modeling multi-enzyme in-pot processes. The methodology is exemplified stepwise through the bi-enzymatic production of N-acetyl-D-neuraminic acid (Neu5Ac) from N-acetyl-D-glucosamine (GlcNAc). In this case study, sensitivity analysis is also used to evaluate the reliability of all parameters of the model suggested in literature [5], Results, from the sensitivity analysis, are used as criteria for a systematic simplification of the model structure. Consequently, model complexity was reduced without compromising the general predictive performance. A deviation of less than 5% from the original model was found.

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ER -

Methodological Approach for Modeling of Multienzyme in-pot Processes

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Conference

Keywords

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