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Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity

Thesis (MSc)--Stellenbosch University, 2025.

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Main Author: Du Plessis, Anna Christina
Other Authors: Patterton, Hugh-George
Format: Thesis
Published: Stellenbosch : Stellenbosch University 2025
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access_status_str Open Access
author Du Plessis, Anna Christina
author2 Patterton, Hugh-George
author_browse Du Plessis, Anna Christina
Patterton, Hugh-George
author_facet Patterton, Hugh-George
Du Plessis, Anna Christina
author_sort Du Plessis, Anna Christina
collection Thesis
dc_rights_str_mv Stellenbosch University
description Thesis (MSc)--Stellenbosch University, 2025.
format Thesis
id oai:scholar.sun.ac.za:10019.1/132142
institution Stellenbosch University (South Africa)
last_indexed 2026-06-10T12:41:56.100Z
license_str Other — see source repository
provenance_str_mv Harvested via OAI-PMH from SUNScholar — Stellenbosch University Repository
publishDate 2025
publishDateRange 2025
publishDateSort 2025
publisher Stellenbosch : Stellenbosch University
publisherStr Stellenbosch : Stellenbosch University
record_format dspace
source_str SUNScholar — Stellenbosch University Repository
spelling oai:scholar.sun.ac.za:10019.1/132142 Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity Du Plessis, Anna Christina Patterton, Hugh-George Muro, Enrique Stellenbosch University. Faculty of Science. Centre for Bioinformatics & Computational Biology. Prebiotics Life -- Origin Hydrothermal vent ecology Systems biology -- Simulation methods Python (Computer program language) -- Data processing Catalysts UCTD Thesis (MSc)--Stellenbosch University, 2025. Du Plessis, A. C. 2025. Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity. Unpublished masters thesis. Stellenbosch: Stellenbosch University [online]. Available: https://scholar.sun.ac.za/items/2e781722-c758-408f-8cbd-d5a0f30e29a5 ENGLISH ABSTRACT: The origin of life on Earth remains a fundamental scientific question, as recreating early Earth conditions without direct evidence is virtually impossible. A central unresolved question in this field is whether catalysts or replicators emerged first. This study seeks to address this debate by exploring the effects of introducing heritable catalysts of undefined specificity into hypothetical systems and quantifying their resulting "suitability". Building on the premise that energy, information, and a barrier separating a living system from its environment are essential components of life, we hypothesized that systems possessing these features would develop preferentially. These hypothetical systems are simulated on the premise that life could have originated in an alkaline hydrothermal vent system, with the simulated systems conceptualized as pores in such a vent. To investigate this scenario, a Python-based simulation was developed, incorporating reactions from the minimal organism JCVI syn3A into hypothetical systems to observe the evolution of the reaction networks. A novel fitness metric was designed, quantifying the total Shannon Information Entropy of all metabolites within the system while penalizing the total number of metabolites present. This approach assessed the potential for protometabolic networks to emerge under specific conditions, assuming the presence of all required metabolites. The simulations produced reaction networks resembling those in JCVI syn3A. The results demonstrated that the stochastic addition of catalysts, guided by minimal metabolic rules, can lead to the emergence of reaction networks resembling that of JCVI syn3A. While the parameters do not perfectly replicate early Earth conditions, the findings suggest that metabolic networks could form spontaneously under specific conditions following the evolution of replication mechanisms. AFRIKAANSE OPSOMMING: Geen opsomming beskikbaar. Masters 2025-05-27T12:26:16Z 2025-05-27T12:26:16Z 2025-03 Thesis https://scholar.sun.ac.za/handle/10019.1/132142 Stellenbosch University vii, 75 pages : illustrations application/pdf Stellenbosch : Stellenbosch University
spellingShingle Prebiotics
Life -- Origin
Hydrothermal vent ecology
Systems biology -- Simulation methods
Python (Computer program language) -- Data processing
Catalysts
UCTD
Du Plessis, Anna Christina
Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity
title Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity
title_full Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity
title_fullStr Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity
title_full_unstemmed Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity
title_short Simulation of pre-biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity
title_sort simulation of pre biotic formation of metabolic networks with the appearance of heritable catalysts of random specificity
topic Prebiotics
Life -- Origin
Hydrothermal vent ecology
Systems biology -- Simulation methods
Python (Computer program language) -- Data processing
Catalysts
UCTD
url https://scholar.sun.ac.za/handle/10019.1/132142
work_keys_str_mv AT duplessisannachristina simulationofprebioticformationofmetabolicnetworkswiththeappearanceofheritablecatalystsofrandomspecificity