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Research on spatial graphs in the simple cubic lattice and its application to polymer science

Research Project

Project/Area Number 19K21827
Research Category

Grant-in-Aid for Challenging Research (Exploratory)

Allocation TypeMulti-year Fund
Review Section Medium-sized Section 11:Algebra, geometry, and related fields
Research InstitutionOchanomizu University (2022)
Saitama University (2019-2021)

Principal Investigator

Shimokawa Koya  お茶の水女子大学, 基幹研究院, 教授 (60312633)

Project Period (FY) 2019-06-28 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥6,370,000 (Direct Cost: ¥4,900,000、Indirect Cost: ¥1,470,000)
Fiscal Year 2021: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2020: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2019: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords空間グラフ / 格子モデル / 多環状高分子 / 格子結び目 / ポリマー / 立方格子
Outline of Research at the Start

これまで格子結び目と呼ばれる数学的モデルを用いて、DNAやタンパク質のモデル化を行ってきた。最近は、より複雑な形状の多環状高分子が合成されていて、その数学的モデル化が求められている。この研究では、空間グラフを用いることにより、そのような複雑なトポロジーを持つポリマーのモデル化を行う。空間グラフを立方格子内で実現し、そのトポロジーを保つ局所変形を研究する。その応用として、多環状高分子のトポロジーを保つようなシミュレーションを世界で初めて行う。その結果は、高分子化学、材料科学の分野への応用が期待される。

Outline of Final Research Achievements

We classified BFACF moves for lattice spatial graphs whose vertices have degree 3. We also proved that for lattice space graphs, the equivalence class by BFACF moves and the equivalence class by ambient isotopy of the space graphs coincide. This indicates that by properly defining BFACF moves, the lattice knot and entanglement results were extended to lattice space graphs.
Since the BFACF move for spatial graphs is a planar move and the BFACF move can be considered for graphs in the 2-D plane as well, we first simulated the case of graphs in the 2-D plane.

Academic Significance and Societal Importance of the Research Achievements

この研究では、近年合成されている複雑な構造をもつ高分子のトポロジーの構造の数学的モデルを扱っている。今回の成果は、トポロジーの一分野である結び目理論の研究を行ったもので、立方格子内の空間グラフのトポロジーに関するものである。応用として多環状高分子、タンパク質の立体構造、DNAのR-ループへの応用が見込めるものとなっており、今後様々な分野にわたる発展が期待される。

Report

(5 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Research-status Report
  • 2020 Research-status Report
  • 2019 Research-status Report
  • Research Products

    (20 results)

All 2023 2022 2021 2020 2019 Other

All Int'l Joint Research (7 results) Presentation (8 results) (of which Int'l Joint Research: 7 results,  Invited: 8 results) Book (1 results) Remarks (3 results) Funded Workshop (1 results)

  • [Int'l Joint Research] University of Saskatchewan(カナダ)

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] University of Melbourne(オーストラリア)

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] University of California, Davis(米国)

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] University of California, Davis(米国)

    • Related Report
      2021 Research-status Report
  • [Int'l Joint Research] University of Melbourne(オーストラリア)

    • Related Report
      2021 Research-status Report
  • [Int'l Joint Research] University of Saskatchewan(カナダ)

    • Related Report
      2021 Research-status Report
  • [Int'l Joint Research] University of Saskatchewan(カナダ)

    • Related Report
      2019 Research-status Report
  • [Presentation] 3-dimensional topology and materials science2023

    • Author(s)
      Koya Shimokawa
    • Organizer
      Breadth in low-dimensional topology
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Spatial graphs in the simple cubic lattice2022

    • Author(s)
      Koya Shimokawa
    • Organizer
      2022 Fall AMS Sectional Meeting “Topology and Geometry of Multi-Stranded Nucleic Acids”
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 多面体絡み目の分類とその応用2022

    • Author(s)
      下川航也
    • Organizer
      日本応用数理学会2022年度年会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Interlocking molecules and polyhedral links2022

    • Author(s)
      Koya Shimokawa
    • Organizer
      Math-Materials: International & Interdisciplinary Workshop Visualization & Ideal Embeddings of Entangled Structures
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 3-dimensional topology and poly-continuous pattern2021

    • Author(s)
      Koya Shimokawa
    • Organizer
      Osaka City University International Academic Symposium Mathematical Science of Visualization, and Deepening of Symmetry and Moduli"
    • Related Report
      2020 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 3-dimensional topology and poly-continuous pattern2020

    • Author(s)
      Koya Shimokawa
    • Organizer
      Special Session on Applied Knot Theory, AMS Sectional Meeting AMS Special Session, Fall Southeastern Sectional Meeting
    • Related Report
      2020 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 3-dimensional topology and polycontinuous pattern2019

    • Author(s)
      Koya Shimokawa
    • Organizer
      International Symposium “Polymers and networks via topology and entanglement”
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 3-dimensional topology and poly-continuous pattern2019

    • Author(s)
      Koya Shimokawa
    • Organizer
      MATERIALS RESEARCH MEETING 2019, Mathematical Materials Science -Mathematical Approaches for Materials Designs in the Data Driven Society-
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Book] Topology of Polymers2019

    • Author(s)
      Shimokawa, Koya, Ishihara, Kai, Tezuka, Yasuyuki
    • Total Pages
      89
    • Publisher
      Springer, SpringerBriefs in the Mathematics of Materials
    • ISBN
      9784431568865
    • Related Report
      2019 Research-status Report
  • [Remarks] 下川研究室

    • URL

      https://www-p.sci.ocha.ac.jp/shimokawa-lab/

    • Related Report
      2022 Annual Research Report 2021 Research-status Report
  • [Remarks] 下川航也ホームページ

    • URL

      http://www.rimath.saitama-u.ac.jp/lab.jp/KoyaShimokawa.html

    • Related Report
      2020 Research-status Report 2019 Research-status Report
  • [Remarks] 国際会議ホームページ

    • URL

      http://www.rimath.saitama-u.ac.jp/lab.jp/kshimoka/polymersandnetworks2019.html

    • Related Report
      2019 Research-status Report
  • [Funded Workshop] 国際シンポジウム "Polymers and networks via topology and entanglement"2019

    • Related Report
      2019 Research-status Report

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Published: 2019-07-04   Modified: 2024-01-30  

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