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Computing the Parameter Values for the Emergence of Homochirality in Complex Networks
Andrés Montoya1, Elkin Cruz2, Jesús Ágreda3
1Departamento de Matemáticas, Universidad Nacional de Colombia, Bogotá D. C. 111321, Colombia. jamontoyaa@unal.edu.co.
Life (Basel, Switzerland)
|September 22, 2019
Summary
This study develops algorithmic tools to model biological homochirality by analyzing chemical reaction networks. Researchers identified a criterion for mirror symmetry-breaking, enabling computation of parameters for homochirality emergence.
Area of Science:
- Computational Chemistry
- Systems Biology
- Biochemistry
Background:
- Biological homochirality, the preference for one enantiomer, is a fundamental property of life.
- Understanding the chemical mechanisms driving homochirality is crucial for origins of life research.
- Existing models often lack efficient computational tools for analyzing symmetry-breaking.
Purpose of the Study:
- To develop algorithmic tools for analyzing chemical reaction networks modeling biological homochirality.
- To detect mirror symmetry-breaking in chemical mechanisms.
- To sample racemic steady states that can produce mirror symmetry-breaking.
Main Methods:
- Developed a mathematical criterion for mirror symmetry-breaking.
- Computed semialgebraic definitions of racemic steady states.
- Utilized Clarke's system of convex coordinates for linearization.
- Designed an efficient algorithm for single enantiomeric pairs and a heuristic for multiple pairs.
Main Results:
- A novel mathematical criterion for mirror symmetry-breaking was established.
- Semialgebraic definitions for homochirality-producing states were derived.
- An efficient algorithm was created for simple networks, and a heuristic for complex ones.
Conclusions:
- The developed algorithms provide computational solutions for analyzing chemical reaction networks related to homochirality.
- The findings enable computation of parameter values critical for the emergence of homochirality.
- This work offers a pathway to computationally explore the origins of homochirality in chemical systems.
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