Gears in chemical reaction networks for optimizing energy transduction efficiency

Abstract Similarly to gear systems in vehicles, most chemical reaction networks (CRNs) involved in energy transduction have at their disposal multiple transduction pathways, each characterized by distinct efficiencies. We conceptualize these pathways as ‘chemical gears’ and demonstrate their role in...

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Main Authors: Massimo Bilancioni, Massimiliano Esposito
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-60787-1
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author Massimo Bilancioni
Massimiliano Esposito
author_facet Massimo Bilancioni
Massimiliano Esposito
author_sort Massimo Bilancioni
collection DOAJ
description Abstract Similarly to gear systems in vehicles, most chemical reaction networks (CRNs) involved in energy transduction have at their disposal multiple transduction pathways, each characterized by distinct efficiencies. We conceptualize these pathways as ‘chemical gears’ and demonstrate their role in refining the second law of thermodynamics. This allows us to determine the optimal efficiency of a CRN, and the gear enabling it, solely based on its topology and operating conditions, defined by the chemical potentials of its input and output species. By suitably tuning reaction kinetics, a CRN can be engineered to self-regulate its gear settings, maintaining optimal efficiency under varying external conditions. We demonstrate this principle in a biological context with a CRN where enzymes function as gear shifters, autonomously adapting the system to achieve near-optimal efficiency across changing environments. Additionally, we analyze the gear system of an artificial molecular motor, identifying numerous counterproductive gears and providing insights into its transduction capabilities and optimization.
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spelling doaj-art-a9f18eee74274a22a3f6bbfa35ce4a932025-08-20T04:01:36ZengNature PortfolioNature Communications2041-17232025-07-011611810.1038/s41467-025-60787-1Gears in chemical reaction networks for optimizing energy transduction efficiencyMassimo Bilancioni0Massimiliano Esposito1Complex Systems and Statistical Mechanics, Department of Physics and Materials Science, University of LuxembourgComplex Systems and Statistical Mechanics, Department of Physics and Materials Science, University of LuxembourgAbstract Similarly to gear systems in vehicles, most chemical reaction networks (CRNs) involved in energy transduction have at their disposal multiple transduction pathways, each characterized by distinct efficiencies. We conceptualize these pathways as ‘chemical gears’ and demonstrate their role in refining the second law of thermodynamics. This allows us to determine the optimal efficiency of a CRN, and the gear enabling it, solely based on its topology and operating conditions, defined by the chemical potentials of its input and output species. By suitably tuning reaction kinetics, a CRN can be engineered to self-regulate its gear settings, maintaining optimal efficiency under varying external conditions. We demonstrate this principle in a biological context with a CRN where enzymes function as gear shifters, autonomously adapting the system to achieve near-optimal efficiency across changing environments. Additionally, we analyze the gear system of an artificial molecular motor, identifying numerous counterproductive gears and providing insights into its transduction capabilities and optimization.https://doi.org/10.1038/s41467-025-60787-1
spellingShingle Massimo Bilancioni
Massimiliano Esposito
Gears in chemical reaction networks for optimizing energy transduction efficiency
Nature Communications
title Gears in chemical reaction networks for optimizing energy transduction efficiency
title_full Gears in chemical reaction networks for optimizing energy transduction efficiency
title_fullStr Gears in chemical reaction networks for optimizing energy transduction efficiency
title_full_unstemmed Gears in chemical reaction networks for optimizing energy transduction efficiency
title_short Gears in chemical reaction networks for optimizing energy transduction efficiency
title_sort gears in chemical reaction networks for optimizing energy transduction efficiency
url https://doi.org/10.1038/s41467-025-60787-1
work_keys_str_mv AT massimobilancioni gearsinchemicalreactionnetworksforoptimizingenergytransductionefficiency
AT massimilianoesposito gearsinchemicalreactionnetworksforoptimizingenergytransductionefficiency