On the Growth Rate of Non-Enzymatic Molecular Replicators
It is well known that non-enzymatic template directed molecular replicators X + nO -> 2X exhibit parabolic growth d[X]/dt -> k[X]1/2. Here, we analyze the dependence of the effective replication rate constant k on hybridization energies, temperature, strand length, and sequence composi...
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MDPI AG
2011-10-01
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Online Access: | http://www.mdpi.com/1099-4300/13/10/1882/ |
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author | Harold Fellermann Steen Rasmussen |
author_facet | Harold Fellermann Steen Rasmussen |
author_sort | Harold Fellermann |
collection | DOAJ |
description | It is well known that non-enzymatic template directed molecular replicators X + nO -> 2X exhibit parabolic growth d[X]/dt -> k[X]1/2. Here, we analyze the dependence of the effective replication rate constant k on hybridization energies, temperature, strand length, and sequence composition. First we derive analytical criteria for the replication rate k based on simple thermodynamic arguments. Second we present a Brownian dynamics model for oligonucleotides that allows us to simulate their diffusion and hybridization behavior. The simulation is used to generate and analyze the effect of strand length, temperature, and to some extent sequence composition, on the hybridization rates and the resulting optimal overall rate constant k. Combining the two approaches allows us to semi-analytically depict a replication rate landscape for template directed replicators. The results indicate a clear replication advantage for longer strands at lower temperatures in the regime where the ligation rate is rate limiting. Further the results indicate the existence of an optimal replication rate at the boundary between the two regimes where the ligation rate and the dehybridization rates are rate limiting. |
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institution | Directory Open Access Journal |
issn | 1099-4300 |
language | English |
last_indexed | 2024-04-13T09:01:29Z |
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series | Entropy |
spelling | doaj.art-dbdba22cec7d43e98b9b84316ff5b5f02022-12-22T02:53:07ZengMDPI AGEntropy1099-43002011-10-0113101882190310.3390/e13101882On the Growth Rate of Non-Enzymatic Molecular ReplicatorsHarold FellermannSteen RasmussenIt is well known that non-enzymatic template directed molecular replicators X + nO -> 2X exhibit parabolic growth d[X]/dt -> k[X]1/2. Here, we analyze the dependence of the effective replication rate constant k on hybridization energies, temperature, strand length, and sequence composition. First we derive analytical criteria for the replication rate k based on simple thermodynamic arguments. Second we present a Brownian dynamics model for oligonucleotides that allows us to simulate their diffusion and hybridization behavior. The simulation is used to generate and analyze the effect of strand length, temperature, and to some extent sequence composition, on the hybridization rates and the resulting optimal overall rate constant k. Combining the two approaches allows us to semi-analytically depict a replication rate landscape for template directed replicators. The results indicate a clear replication advantage for longer strands at lower temperatures in the regime where the ligation rate is rate limiting. Further the results indicate the existence of an optimal replication rate at the boundary between the two regimes where the ligation rate and the dehybridization rates are rate limiting.http://www.mdpi.com/1099-4300/13/10/1882/non-enzymatic molecular replicationminimal replicatorsprotocellgrowthratesproduct inhibitionreaction kineticsBrownian dynamics |
spellingShingle | Harold Fellermann Steen Rasmussen On the Growth Rate of Non-Enzymatic Molecular Replicators Entropy non-enzymatic molecular replication minimal replicators protocell growthrates product inhibition reaction kinetics Brownian dynamics |
title | On the Growth Rate of Non-Enzymatic Molecular Replicators |
title_full | On the Growth Rate of Non-Enzymatic Molecular Replicators |
title_fullStr | On the Growth Rate of Non-Enzymatic Molecular Replicators |
title_full_unstemmed | On the Growth Rate of Non-Enzymatic Molecular Replicators |
title_short | On the Growth Rate of Non-Enzymatic Molecular Replicators |
title_sort | on the growth rate of non enzymatic molecular replicators |
topic | non-enzymatic molecular replication minimal replicators protocell growthrates product inhibition reaction kinetics Brownian dynamics |
url | http://www.mdpi.com/1099-4300/13/10/1882/ |
work_keys_str_mv | AT haroldfellermann onthegrowthrateofnonenzymaticmolecularreplicators AT steenrasmussen onthegrowthrateofnonenzymaticmolecularreplicators |