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Using chemical thermodynamics on networks to understand the universality of biological sugar-phosphate metabolism

Research Project

Project/Area Number 22K03792
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 17050:Biogeosciences-related
Research InstitutionInstitute of Science Tokyo

Principal Investigator

SMITH Eric  東京科学大学, 地球生命研究所, 特任教授 (50770468)

Co-Investigator(Kenkyū-buntansha) Smith Harrison  東京科学大学, 地球生命研究所, 特任准教授 (50843934)
Project Period (FY) 2022-04-01 – 2025-03-31
Project Status Completed (Fiscal Year 2024)
Budget Amount *help
¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2024: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
Fiscal Year 2023: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
Fiscal Year 2022: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
KeywordsReaction networks / Rule-based modeling / Chemical graph grammars / Information geometry / Systems chemistry / Thermochemical databases / Sugar metabolism / Cost of selection / Natural selection cost / Chemical networks / Rule-based systems / Evolution optimization / computational chemistry
Outline of Research at the Start

The most basic features of life are conserved across all living systems. Many are pathways of core metabolism, which all other living processes require. We will use computational chemistry to understand how uncontrolled chemical networks arise in nature and the way pathways are selected from them.

Outline of Final Research Achievements

We aimed to understand how living organisms have come to use a small number of universal physiological reactions, when a very large number of alternative pathways are possible using the same reaction mechanisms. Our method of study combines a form of computational chemistry that models molecules as graphs, in order to use mathematical representations to make complete lists of possible reactions. We then used methods from statistical physics and probability theory to derive how complex, or how energetically costly, different pathways are that achieve the same chemical transformation.

Our results show that by a natural measure of simplicity and low cost, the biological Calvin Cycle for carbon fixation is a unique minimum, explaining why evolution has extracted this pathway from many possibilities. We were surprised to discover that the Calvin cycle is also a kind of "chemical program", which makes its discovery easier for evolution.

Academic Significance and Societal Importance of the Research Achievements

We introduced new mathematical ways to connect elementary reaction mechanisms, which evolution can directly select, to the topology of reaction networks, which do work for organisms, and to the energy and matter flows on networks. Our methods can also be applied to metabolic pathway design.

Report

(4 results)
  • 2024 Annual Research Report   Final Research Report ( PDF )
  • 2023 Research-status Report
  • 2022 Research-status Report
  • Research Products

    (13 results)

All 2024 2022 Other

All Int'l Joint Research (6 results) Journal Article (3 results) (of which Int'l Joint Research: 3 results,  Peer Reviewed: 3 results,  Open Access: 2 results) Presentation (3 results) Remarks (1 results)

  • [Int'l Joint Research] University of Vienna(オーストリア)

    • Related Report
      2024 Annual Research Report
  • [Int'l Joint Research] University of Wisconsin at Madison(米国)

    • Related Report
      2024 Annual Research Report
  • [Int'l Joint Research] University of Vienna(オーストリア)

    • Related Report
      2023 Research-status Report
  • [Int'l Joint Research] University of Southern Denmark(デンマーク)

    • Related Report
      2023 Research-status Report
  • [Int'l Joint Research] University of Southern Denmark(デンマーク)

    • Related Report
      2022 Research-status Report
  • [Int'l Joint Research] University of Vienna(オーストリア)

    • Related Report
      2022 Research-status Report
  • [Journal Article] Rules, hypergraphs, and probabilities: The three-level analysis of chemical reaction systems and other stochastic stoichiometric population processes2024

    • Author(s)
      Smith Eric、Smith Harrison B.、Andersen Jakob Lykke
    • Journal Title

      PLOS Complex Systems

      Volume: 1 Issue: 4 Pages: e0000022-e0000022

    • DOI

      10.1371/journal.pcsy.0000022

    • Related Report
      2024 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Rules, hypergraphs, and probabilities: the three-level analysis of chemical reaction systems and other stochastic stoichiometric population processes2024

    • Author(s)
      Eric Smith, Harrison B. Smith, and Jakob Lykke Andersen
    • Journal Title

      PLoS Complex Systems

      Volume: submitted

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Polyhedral geometry and combinatorics of an autocatalytic ecosystem2024

    • Author(s)
      Praful Gagrani, Victor Blanco, Eric Smith and David Baum
    • Journal Title

      Journal of Mathematical Chemistry

      Volume: 62 Issue: 5 Pages: 1012-1078

    • DOI

      10.1007/s10910-024-01576-x

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Proto-bioenergetics: Yes we can manufacture; now can we learn to recycle?2024

    • Author(s)
      Eric Smith
    • Organizer
      CO World Meeting, Sapporo, Hokkaido
    • Related Report
      2023 Research-status Report
  • [Presentation] Combinatorics in evolution: From rule-based systems to the thermodynamics of selectivities2022

    • Author(s)
      Eric Smith, Jakob L. Andersen, Harrison B. Smith
    • Organizer
      American Physical Society March Meeting ( https://meetings.aps.org/Meeting/MAR22/Session/K04.1 )
    • Related Report
      2022 Research-status Report
  • [Presentation] Combinatorial Chemistry with Rule-Based Systems and its Associated Information Theory2022

    • Author(s)
      Eric Smith, Jakob L. Andersen, Harrison B. Smith
    • Organizer
      Life in the Universe ( http://physicsoflivingsystems.org/events/workshop-life-in-the-universe/ )
    • Related Report
      2022 Research-status Report
  • [Remarks] Generating ... Spaces ... with Rule Based Modeling

    • URL

      https://sympo12.elsi.jp/

    • Related Report
      2023 Research-status Report

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Published: 2022-04-19   Modified: 2026-01-16  

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