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University of Groningen On a quest for metabolic fluxes: sampling and inference tools using thermodynamics, metabolome and labelling data Taborda Saldida Alves, Joana

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University of Groningen

On a quest for metabolic fluxes: sampling and inference tools using thermodynamics, metabolome and labelling data

Taborda Saldida Alves, Joana

DOI:

10.33612/diss.157440136

IMPORTANT NOTE: You are advised to consult the publisher's version (publisher's PDF) if you wish to cite from it. Please check the document version below.

Document Version

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Publication date: 2021

Link to publication in University of Groningen/UMCG research database

Citation for published version (APA):

Taborda Saldida Alves, J. (2021). On a quest for metabolic fluxes: sampling and inference tools using thermodynamics, metabolome and labelling data. University of Groningen.

https://doi.org/10.33612/diss.157440136

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The effort spent in quantifying uncertainty should be similar to the effort spent in the inference problem. Some assumptions are so recurring that the fact that they are an assumption may be forgotten. A standardised way to present similar types of (metabolic flux analysis) models, their detailed assumptions, and nomenclature should be implemented to save time to the next researcher building on previous studies. The large number of degrees of freedom brings uncertainty to flux estimation. Characterisation of the flux solution space through sampling comes as a useful tool for the quantification of such uncertainty. Accounting for thermodynamic principles in metabolic flux analysis contributes to decrease the uncertainty in flux estimation but considerably increases the mathematical complexity of the problem through linear terms and non-convexity. One way to approach a multi-layer system, as

metabolism, is to tackle its complexity with a multi-layer method. Collaborations between scientists in different fields of expertise increase the speed and quality of scientific work. However, good communication between them is essential. Convincing yourself that the end-goal was worth the struggle is a skill, and a difficult task on its own. “If you thought that science was certain ― well, that is just an error on your part.” Richard Feynman

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