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Theoretical and Experimental Studies on Nanostructures Based on Chiral Liquid Crystals

Research Project

Project/Area Number 19H02537
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 28010:Nanometer-scale chemistry-related
Research InstitutionKitasato University

Principal Investigator

Watanabe Go  北里大学, 理学部, 准教授 (80547076)

Co-Investigator(Kenkyū-buntansha) 吉田 純  日本大学, 文理学部, 准教授 (60585800)
Project Period (FY) 2019-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥17,680,000 (Direct Cost: ¥13,600,000、Indirect Cost: ¥4,080,000)
Fiscal Year 2022: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2021: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2020: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2019: ¥10,790,000 (Direct Cost: ¥8,300,000、Indirect Cost: ¥2,490,000)
Keywords分子動力学シミュレーション / 液晶 / キラリティー / ソフトマテリアル / キラル液晶 / 分子動力学 / キラル金属錯体
Outline of Research at the Start

分子が自己組織化して配向秩序を有しながらも流動性も失わない液晶(ホスト)にキラルな分子をゲストとして少量添加することで、その内部に精緻ならせん周期構造が発現する。このキラル液晶は、ホスト液晶とゲストのキラル分子の組み合わせに応じて、異なるらせん構造を形成するが、その機構は完全には理解されていない。そこで本研究では、この未解決課題を追求する上で適切な系として、剛直骨格を持つキラル金属錯体分子が形成するキラル液晶を選択し、計算科学と実験科学の両面からのアプローチによりキラル液晶発現条件の網羅的探索により、らせん構造におけるナノ空間の制御因子を決定することを目指す。

Outline of Final Research Achievements

In the chiral liquid crystals formed by doping the chiral molecules into the nematic liquid crystals, it is important to understand the relation between the microscopic structure of the chiral dopant molecules and the macroscopic helical structure. In this study, we revealed that the miscibility of the chiral dopant molecules with the liquid crystal solvent correlates with the diffusion coefficient of the liquid crystal molecules in chiral liquid crystals with octahedral metal complexes by a novel approach that combines computational and experimental methods. We also obtained new insights related to the structural details of the chiral columnar liquid crystals formed by the enantiopure octahedral complexes.

Academic Significance and Societal Importance of the Research Achievements

応用の可能性が多岐にわたるソフトマテリアルであるキラル液晶について、ミクロとマクロという異なる階層での物性の包括的理解という分子科学の観点から重要かつ本質的な未解決問題に、計算科学者と実験科学者が緊密に連携して取り組むという点で学術的意義は大きい。本研究で確立された基盤技術は、新規キラル触媒開発やπ共役分子の有機溶媒への溶解性予測などにも適用可能であり、合成化学から有機半導体までの基礎化学から応用化学までの幅広い分野に寄与できる。

Report

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

    (43 results)

All 2023 2022 2021 2020 2019 Other

All Journal Article (13 results) (of which Int'l Joint Research: 3 results,  Peer Reviewed: 12 results,  Open Access: 6 results) Presentation (27 results) (of which Int'l Joint Research: 8 results,  Invited: 5 results) Remarks (3 results)

  • [Journal Article] Tuning the mechanoresponsive luminescence of rotaxane mechanophores by varying the stopper size2023

    • Author(s)
      Hiratsuka Keiko、Muramatsu Tatsuya、Seki Takuya、Weder Christoph、Watanabe Go、Sagara Yoshimitsu
    • Journal Title

      Journal of Materials Chemistry C

      Volume: 11 Issue: 12 Pages: 3949-3955

    • DOI

      10.1039/d3tc00330b

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Singlet fission as a polarized spin generator for dynamic nuclear polarization2023

    • Author(s)
      Kawashima Yusuke、Hamachi Tomoyuki、Yamauchi Akio、Nishimura Koki、Nakashima Yuma、Fujiwara Saiya、Kimizuka Nobuo、Ryu Tomohiro、Tamura Tetsu、Saigo Masaki、Onda Ken、Sato Shunsuke、Kobori Yasuhiro、Tateishi Kenichiro、Uesaka Tomohiro、Watanabe Go、Miyata Kiyoshi、Yanai Nobuhiro
    • Journal Title

      Nature Communications

      Volume: 14 Issue: 1 Pages: 1056-1056

    • DOI

      10.1038/s41467-023-36698-4

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Nano-clustering mediates phase transitions in a diastereomerically-stabilized ferroelectric nematic system2022

    • Author(s)
      Nishikawa Hiroya、Sano Koki、Kurihara Saburo、Watanabe Go、Nihonyanagi Atsuko、Dhara Barun、Araoka Fumito
    • Journal Title

      Communications Materials

      Volume: 3 Issue: 1 Pages: 89-89

    • DOI

      10.1038/s43246-022-00312-9

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] The Structure and Dynamics of Soft Interfaces Investigated by Molecular Dynamics Simulation2021

    • Author(s)
      渡辺 豪
    • Journal Title

      JOURNAL OF JAPANESE SOCIETY OF TRIBOLOGISTS

      Volume: 66 Issue: 4 Pages: 267-274

    • DOI

      10.18914/tribologist.66.04_267

    • NAID

      130008024834

    • ISSN
      0915-1168, 2189-9967
    • Year and Date
      2021-04-15
    • Related Report
      2021 Annual Research Report
  • [Journal Article] Alternating Donor?Acceptor π‐Conjugated Macrocycle Exhibiting Efficient Thermally Activated Delayed Fluorescence and Spontaneous Horizontal Molecular Orientation2021

    • Author(s)
      Shikita So、Watanabe Go、Kanouchi Dai、Saito Junya、Yasuda Takuma
    • Journal Title

      Advanced Photonics Research

      Volume: 0 Issue: 7 Pages: 2100021-2100021

    • DOI

      10.1002/adpr.202100021

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Approaching isotropic charge transport of n-type organic semiconductors with bulky substituents2021

    • Author(s)
      Yu Craig P.、Kojima Naoya、Kumagai Shohei、Kurosawa Tadanori、Ishii Hiroyuki、Watanabe Go、Takeya Jun、Okamoto Toshihiro
    • Journal Title

      Communications Chemistry

      Volume: 4 Issue: 1 Pages: 1-10

    • DOI

      10.1038/s42004-021-00583-2

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Visualizing the helical stacking of octahedral metallomesogens with a chiral coreVisualizing the helical stacking of octahedral metallomesogens with a chiral core2020

    • Author(s)
      G. Watanabe*, H. Watanabe, K. Suzuki, H. Yuge, S. Yoshida, T. Mandai, S. Yoneda, H. Sato, M. Hara*, J. Yoshida*
    • Journal Title

      Chemical Communications

      Volume: 56 Issue: 81 Pages: 12134-12137

    • DOI

      10.1039/d0cc05930g

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Biomolecular Binding at Aqueous Interfaces of Langmuir Monolayers of Bioconjugated Amphiphilic Mesogenic Molecules: A Molecular Dynamics Study2020

    • Author(s)
      Watanabe Go、Eimura Hiroki、Abbott Nicholas L.、Kato Takashi
    • Journal Title

      Langmuir

      Volume: 36 Issue: 41 Pages: 12281-12287

    • DOI

      10.1021/acs.langmuir.0c02191

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Robust, high-performance n-type organic semiconductors2020

    • Author(s)
      T. Okamoto, S. Kumagai, E Fukuzaki, H. Ishii, G. Watanabe, N. Niitsu, T. Annaka, M. Yamagishi, Y. Tani, H. Sugiura, T. Watanabe, S. Watanabe, and J. Takeya
    • Journal Title

      Sci. Adv.

      Volume: 6 Issue: 18

    • DOI

      10.1126/sciadv.aaz0632

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Tris(tropolonato) ruthenium as a hub for connecting pi-conjugated systems2020

    • Author(s)
      Jun Yoshida,* Kazunori Tateyama, Hidetaka Yuge
    • Journal Title

      Dalton Trans.

      Volume: 49 Issue: 7 Pages: 2102-2111

    • DOI

      10.1039/c9dt04860j

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Highly Miscible Hybrid Liquid-Crystal Systems Containing Fluorescent Excited-State Intramolecular Proton Transfer Molecules2019

    • Author(s)
      Zhang Wanying、Suzuki Satoshi、Cho SeongYong、Watanabe Go、Yoshida Hiroyuki、Sakurai Tsuneaki、Aotani Mika、Tsutsui Yusuke、Ozaki Masanori、Seki Shu
    • Journal Title

      Langmuir

      Volume: 35 Issue: 43 Pages: 14031-14041

    • DOI

      10.1021/acs.langmuir.9b02272

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Glycine Substitution Effects on the Supramolecular Morphology and Rigidity of Cell‐Adhesive Amphiphilic Peptides2019

    • Author(s)
      Atsuya Ishida, Go Watanabe, Mio Oshikawa, Itsuki Ajioka, Takahiro Muraoka
    • Journal Title

      Chemistry - A European Journal

      Volume: 25 Issue: 59 Pages: 13523-13530

    • DOI

      10.1002/chem.201902083

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Chiral tectonics toward square planar tetranuclear Pd(II) complexes: propagation of axial chirality through a long molecular axis2019

    • Author(s)
      Y. Goto, Y. Watanabe, A. Noboriguchi, J. Yoshida, S. Mori, H. Sato*
    • Journal Title

      Dalton Trans

      Volume: 48 Issue: 27 Pages: 10138-10144

    • DOI

      10.1039/c9dt01913h

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Presentation] Computational prediction of dynamics and structure of organic semiconductor crystals2023

    • Author(s)
      Go Watanabe
    • Organizer
      RIKEN CEMS Topical Meeting Online
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] A Molecular Dynamics Study of Helical Columnar Liquid Crystals Based on Propeller-Shaped Metallomesogens2022

    • Author(s)
      Go Watanabe, Mitsuo Hara, and Jun Yoshida
    • Organizer
      International Liquid Crystal Conference 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 強誘電ネマチック液晶の微視的挙動に関する分子動力学的研究2022

    • Author(s)
      栗原三朗、佐藤俊輔、西川浩矢、荒岡史人、渡辺豪
    • Organizer
      2022年日本液晶学会討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] A Molecular Dynamics Study for Self-Assembling Soft Materials2022

    • Author(s)
      Go Watanabe
    • Organizer
      Optics of Liquid Crystals 2021 Satellite Workshop
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 分子動力学シミュレーションを用いた生体親和性ポリマーブラシのミクロダイナミクス解明2022

    • Author(s)
      露木 弘美、上田 智也、西村 慎之介、塩本 昌平、村上 大樹、田中 賢、辺 豪
    • Organizer
      日本化学会第102春季年会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 分子動力学シミュレーションによる外部刺激応答性らせん高分子の構造解明2022

    • Author(s)
      石井 佐和,西村 達也,前田 勝浩,渡辺 豪
    • Organizer
      日本化学会第102春季年会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 粘土鉱物表面を舞台とするキラル錯体の2次元自己集合2021

    • Author(s)
      吉田 純
    • Organizer
      日本セラミックス協会 第34回秋季シンポジウム
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] A Molecular Dynamics Study of Helical Columnar Liquid Crystals Based on Propeller-Shaped Metallomesogens2021

    • Author(s)
      Go Watanabe, Mitsuo Hara, and Jun Yoshida
    • Organizer
      Optics of Liquid Crystals 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 有機半導体分子が示す結晶多形を再現する分子動力学手法の確立2021

    • Author(s)
      關 拓和、岡本 敏宏、渡辺 豪
    • Organizer
      第11回CSJ化学フェスタ
    • Related Report
      2021 Annual Research Report
  • [Presentation] 革新的有機半導体分子創製を目指した計算科学的手法の確立2021

    • Author(s)
      渡辺 豪、關 拓和、石井 宏幸、竹谷 純一、岡本 敏宏
    • Organizer
      第35回分子シミュレーション討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Visualizing helical stacking of propeller-shaped metallomesogen molecules: a molecular dynamics study2021

    • Author(s)
      Go Watanabe, Mitsuo Hara, and Jun Yoshida
    • Organizer
      The 2020 International Chemical Congress of Pacific Basin Congress
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子シミュレーションによる液晶の微視的描像解明2020

    • Author(s)
      渡辺 豪
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の新展開2020」
    • Related Report
      2020 Annual Research Report
  • [Presentation] 分子動力学計算によるネマチック液晶中における蛍光分子の静的構造・動的挙動の解析2020

    • Author(s)
      藤島 瑛大、宮下 大勇、櫻井 庸明、渡辺 豪
    • Organizer
      2020年日本液晶学会オンライン研究発表会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 八面体型金属錯体分子が発現するカラムナー液晶の分子動力学シミュレーション2020

    • Author(s)
      萬代 拓由、吉田 晋太郎、吉田 純、原 光生、渡辺 豪
    • Organizer
      2020年日本液晶学会オンライン研究発表会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Elucidating Helical Structure of Columnar Liquid Crystals Formed by Chiral Octahedral Metallomesogens Using Molecular Dynamics Simulations2020

    • Author(s)
      Go Watanabe, Takuyoshi Mandai, Mitsuo Hara, and Jun Yoshida
    • Organizer
      69th Symposium on Macromolecules
    • Related Report
      2020 Annual Research Report
  • [Presentation] 計算科学で解き明かすソフトマターのミクロな世界2020

    • Author(s)
      渡辺 豪
    • Organizer
      電気学会四国支部講演会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Molecular Dynamics Study of Chiral Columnar Liquid Crystals with Helical Structure2019

    • Author(s)
      Go Watanabe, Mitsuo Hara, and Jun Yoshida
    • Organizer
      The 5th International Conference on Molecular Simulation
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子動力学シミュレーションによるキラルカラムナー液晶のらせん構造解明2019

    • Author(s)
      吉田 晋太郎, 萬代 拓由, 吉田 純, 原 光生, 渡辺 豪, 米田 茂隆
    • Organizer
      第33回分子シミュレーション討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 分子動力学シミュレーションで解き明かす液晶の分子描像2019

    • Author(s)
      渡辺 豪
    • Organizer
      第68回高分子討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 八面体型金属錯体をメソゲンとするキラルカラムナー液晶の開発と内部構造解析2019

    • Author(s)
      吉田 純, 原 光生, 渡辺 豪
    • Organizer
      錯体化学会 第69回討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 分子動力学シミュレーションによるキラルカラムナー液晶のらせん構造解明2019

    • Author(s)
      吉田 晋太郎, 萬代 拓由, 吉田 純, 原 光生, 渡辺 豪, 米田 茂隆
    • Organizer
      2019年 日本液晶学会討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 八面体型金属錯体が形成するカラムナー液晶の微視的構造解析2019

    • Author(s)
      萬代 拓由, 吉田 晋太郎, 吉田 純, 原 光生, 渡辺 豪, 米田 茂隆
    • Organizer
      2019年 日本液晶学会討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 分子中心に位置するキラリティーがカラム状積層構造に及ぼす影響: エナンチオ体とラセミ体の比較2019

    • Author(s)
      吉田 純, 原 光生, 渡辺 豪
    • Organizer
      2019年 日本液晶学会討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 計算化学で視るソフトマターの分子描像2019

    • Author(s)
      渡辺 豪
    • Organizer
      構造有機化学研究会 ミニシンポジウム
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 八面体型金属錯体をメソゲンとするカラムナー液晶開発と積層構造の解析2019

    • Author(s)
      吉田 純, 原 光生, 渡辺 豪
    • Organizer
      第23回液晶化学研究会シンポジウム
    • Related Report
      2019 Annual Research Report
  • [Presentation] A Theoretical Study for Design of Metal Complex Doped Chiral Nematic Materials2019

    • Author(s)
      Go Watanabe and Jun Yoshida
    • Organizer
      10th International Conference on Materials for Advanced Technologies
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Investigation of the Molecular Stacking Structures in Chiral Columnar Phases Formed by Chiral Octahedral Metallomesogen2019

    • Author(s)
      Jun Yoshida, Mitsuo Hara, and Go Watanabe
    • Organizer
      10th International Conference on Materials for Advanced Technologies
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Remarks] 研究者個人ページ

    • URL

      https://www.go-watanabe.com/

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report 2019 Annual Research Report
  • [Remarks] researchmap

    • URL

      https://researchmap.jp/go_watanabe

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report
  • [Remarks] 研究者個人ページ

    • URL

      http://www.kitasato-u.ac.jp/sci/resea/buturi/seitai/watanabe/

    • Related Report
      2019 Annual Research Report

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Published: 2019-04-18   Modified: 2024-01-30  

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