Publications

Journal Articles

Yotaro Kasahara, Takashi Takeda*, Shun Dekura, Yoshiki Ishii, Hayato Anetai, Atsuro Takai, Ichiro Hisaki, Masayuki Takeuchi, Tomoyuki Akutagawa*
"Supramolecular Polymorphism of the Hydrogen-Bonded C3-Symmetrical Hexadehydrotribenzo[12]annulene Derivative"
J. Am. Chem. Soc. in press (2025).
DOI: 10.1021/jacs.5c02529

Hiromu Kobayashi*, Yoshiki Ishii, Norikazu Ohtori
"Bulk viscosity of simple liquids"
J. Chem. Phys. 162, 164507 (2025).
DOI: 10.1063/5.0266423

Hideyo Yoshida, Kozue Nishimoto, Hidetaka Yuge, Takuyoshi Mandai, Shintaro Yoshida, Shunsuke Sato, Hisako Sato, Mitsuo Hara*, Go Watanabe*, Jun Yoshida*
"Racemic Assembly of Octahedral Metallomesogens via Δ−Λ Chiral Interaction: Detection of Novel VCD Signals in Quasi-Racemate"
Small 21, 2500564 (2025).
DOI: 10.1002/smll.202500564

Yohei Haketa, Ryoya Nakajima, Yuto Maruyama, Hiroki Tanaka, Wookjin Choi, Shu Seki, Shunsuke Sato, Hitomi Baba, Yoshiki Ishii, Go Watanabe, Kirill Bulgarevich, Kazuo Takimiya, Kenzo Deguchi, Shinobu Ohki, Kenjiro Hashi, Takashi Nakanishi, Yukihide Ishibashi, Tsuyoshi Asahi, Kazuchika Ohta, Hiromitsu Maeda*
"Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded p-electronic cations"
Chem. Sci. 16, 4998-5006 (2025).
DOI: 10.1039/D4SC07576E

Shunsuke Sato, Barun Dhara, Dan He, Daigo Miyajima*, Go Watanabe*
"Molecular dynamics simulation to predict assembly structures of bowl-shaped π-conjugated molecules"
        Chem. Commun. 61, 4951-4954 (2025).
        DOI: 10.1039/D4CC06482H

Dan He, Barun Dhara*, Cheng Zhang, Atsuko Nihonyanagi, Hiroyuki Inuzuka, Eiju Hara, Shunsuke Sato, Kiyohiro Adachi, Go Watanabe*, Daisuke Hashizume, Kou Okuro, Daigo Miyajima*
"Tailoring One-dimensional Assemblies of Chiral Bowl-Shaped Molecules with Diverse Enantiomers and Polar Column Alignments"
        Angew. Chem. Int. Ed. 64, e202424162 (2025).
        DOI: 10.1002/anie.202424162

Shunsuke Ogita, Yoshiki Ishii, Go Watanabe, Hitoshi Washizu, Kang Kim*, Nobuyuki Matubayasi
"Atomistic analysis of nematic phase transition in 4-cyano-4′-n-alkyl biphenyl liquid crystals: Sampling for the first-order phase transition and the free-energy decomposition"
        J. Chem. Phys. 162, 054905 (2025).
        DOI: 10.1063/5.0242416

Junya Uchida, Shingo Takegawa, Soshi Ito, Shunsuke Sato, Go Watanabe, Takashi Kato*
"Nanostructured liquid-crystalline ion conductors based on linear carbonate moieties: effects of oligooxyethylene and alkylene spacers on self-assembled properties and ionic conductivities"
        Mol. Syst. Des. Eng. 10, 184-193 (2025).
        DOI: 10.1039/D4ME00176A

Shohei Kumagai*, Takeru Koguma, Yutaro Arai, Go Watanabe, Hiroyuki Ishii, Jun Takeya, Toshihiro Okamoto*
"Phenyl- versus cyclohexyl-terminated substituents: comparative study on aggregated structures and electron-transport properties in n-type organic semiconductors"
        Mol. Syst. Des. Eng. 10, 32 (2025).
        DOI: 10.1039/D4ME00110A

Takashi Nakamura*, Hayato Takayanagi, Masaki Nakahata*, Takumi Okubayashi, Hitomi Baba, Yoshiki Ishii, Go Watanabe*, Daisuke Tanabe, Tatsuya Nabeshima
“Amide Cyclodextrin That Recognises Monophosphate Anions in Harmony with Water Molecules”
Chem. Sci. 16, 171-181 (2025).
DOI: 10.1039/D4SC04529G

Shingo Takegawa, Kazuma Hamaguchi, Eiji Hosono, Shunsuke Sato, Go Watanabe, Junya Uchida, Takashi Kato*
"Lithium-ion batteries with fluorinated mesogen-based liquid-crystalline electrolytes: molecular design towards enhancing oxidation stability"
        Nanoscale 16, 21118 (2024).
        DOI: 10.1039/D4NR03559C

Wataru Ishii, Masaaki Fuki, Eman M. Bu Ali, Shunsuke Sato, Bhavesh Parmar, Akio Yamauchi, Catherine Helenna Mulyadi, Masanori Uji, Samara Medina Rivero, Go Watanabe*, Jenny Clark*, Yasuhiro Kobori*, Nobuhiro Yanai*

“Macrocyclic Parallel Dimer Showing Quantum Coherence of Quintet Multiexcitons at Room Temperature”
        J. Am. Chem. Soc. 146, 25527 (2024).
        DOI: 10.1021/jacs.4c05677

Taichi Takasawa, Takashi Matsui*, Go Watanabe*, Yoshio Kodera
"Molecular dynamics simulations reveal differences in the conformational stability of FtsZs derived from Staphylococcus aureus and Bacillus subtilis"
Sci. Rep. 14, 16043 (2024).
DOI: 10.1038/s41598-024-66763-x

Soh Ishikawa, Kazuhisa Yamasumi, Shinya Sugiura, Shunsuke Sato, Go Watanabe, Yun Hee Koo, Shu Seki, Yuya Bando, Yohei Haketa, Hiroshi Shinokubo, Hiromitsu Maeda*
"Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies"
Chem. Sci. 15, 7603-7609 (2024).
DOI: 10.1039/D4SC01633E

Yoshiki Ishii*, Sataro Kiko, Norikazu Ohtori*
“Analysis of the Transport Properties of Alkaline-Earth Halides MX2 (M = Ca, Sr, Ba, and X = F, Cl, Br) by Simulation with a Polarizable Ion Model”
Electrochemistry 92, 043024 (2024).
DOI: 10.5796/electrochemistry.23-69160

Masanori Suzuki*, Yusuke Asano, Yoshiki Ishii
“Surface Ionic Coordination of Al2O3–CaO–Based Molten Slag Induced by Structural Relaxation”
J. Am. Ceram. Soc. 107, 5624-5636 (2024).
DOI: 10.1111/jace.19818

Tomoya Enjou, Shimpei Goto, Qiming Liu, Fumitaka Ishiwari, Akinori Saeki, Taro Uematsu, Yuka Ikemoto, Sora Watanabe, Go Matsuba, Kouichiro Ishibashi, Go Watanabe, Satoshi Minakata, Yoshimitsu Sagara, Youhei Takeda*
"Water-dispersible donor–acceptor–donor π-conjugated bolaamphiphiles enabling a humidity-responsive luminescence color change"
Chem. Comm. 60, 3653-3656 (2024).
DOI: 10.1039/D3CC05749F

Qiming Liu, Tianyue Zhang, Yuka Ikemoto, Yudai Shinozaki, Go Watanabe, Yuta Hori, Yasuteru Shigeta, Takemi Midorikawa, Koji Harano, Yoshimitsu Sagara*
"Grinding-Induced Water Solubility Exhibited by Mechanochromic Luminescent Supramolecular Fibers"
Small 20, 2400063 (2024).
DOI: 10.1002/smll.202400063

Nozomi Yoneda, Haruka Iyama, Takashi Nagata, Masato Katahira, Yoshiki Ishii, Kohei Tada, Kazuhiko Matsumoto*, Rika Hagiwara
"Fluoride Ion in Alcohols: Isopropanol vs Hexafluoroisopropanol"
J. Phys. Chem. Lett. 15, 1677-1685 (2024).
DOI: 10.1021/acs.jpclett.3c03619

Takashi Kato*, Junya Uchida*, Yoshiki Ishii*, Go Watanabe*
“Aquatic Functional Liquid Crystals: Design, Functionalization, and Molecular Simulation” (Perspective)
Adv. Sci. 11, 2306529 (2024).
DOI: 10.1002/advs.202306529

Tomoyuki Hamachi, Koki Nishimura, Keita Sakamoto, Yusuke Kawashima, Hironori Kouno, Shunsuke Sato, Go Watanabe, Kenichiro Tateishi, Tomohiro Uesaka, Nobuhiro Yanai*
"Triplet Dynamic Nuclear Polarization of Pyruvate via Supramolecular Chemistry"
Chem Sci. 14, 13842-13850 (2023).
DOI: 10.1039/D3SC04123A

Craig P Yu, Shohei Kumagai, Michitsuna Tsutsumi, Tadanori Kurosawa, Hiroyuki Ishii, Go Watanabe, Daisuke Hashizume, Hiroki Sugiura, Yukio Tani, Toshihiro Ise, Tetsuya Watanabe, Hiroyasu Sato, Jun Takeya, Toshihiro Okamoto*
"Asymmetrically Functionalized Electron‐Deficient π‐Conjugated System for Printed Single‐Crystalline Organic Electronics"
Adv. Sci. 10, 202207440 (2023).
DOI: 10.1002/advs.202207440

Go Watanabe*, Akane Yamazaki, Jun Yoshida*
"The Missing Relationship between the Miscibility of Chiral Dopants and the Microscopic Dynamics of Solvent Liquid Crystals: A Molecular Dynamics Study"
Symmetry 15, 1092 (2023).
DOI: 10.3390/sym15051092

Yusuke Kawashima, Tomoyuki Hamachi, Akio Yamauchi, Koki Nishimura, Yuma Nakashima, Saiya Fujiwara, Nobuo Kimizuka, Tomohiro Ryu, Tetsu Tamura, Masaki Saigo, Ken Onda, Shunsuke Sato, Yasuhiro Kobori, Kenichiro Tateishi, Tomohiro Uesaka, Go Watanabe*, Kiyoshi Miyata*, Nobuhiro Yanai*
"Singlet fission as a polarized spin generator for dynamic nuclear polarization"
Nat. Commun. 14, 1056 (2023).
Featured as Editors’ Highlight!
DOI: 10.1038/s41467-023-36698-4

Junsu Park, Yui Sasaki, Yoshiki Ishii, Shunsuke Murayama, Kohei Ohshiro, Kengo Nishiura, Ryohei Ikura, Hiroyasu Yamaguchi, Akira Harada, Go Matsuba*, Hitoshi Washizu*, Tsuyoshi Minami*, Yoshinori Takashima*
"Leaf-Inspired Host–Guest Complexation-Dictating Supramolecular Gas Sensors”
ACS Appl. Mater. Interfaces 15, 39777-39785 (2023).
DOI: 10.1021/acsami.3c04395

Keiko Hiratsuka, Tatsuya Muramatsu, Takuya Seki, Christoph Weder, Go Watanabe*, Yoshimitsu Sagara*
"Tuning the mechanoresponsive luminescence of rotaxane mechanophores by varying the stopper size"
J. Mater. Chem. C. 11, 3949 (2023).
Selected as a “Front Cover” and "HOT Paper"!
DOI: 10.1039/d3tc00330b

Kazuma Hamaguchi, Huanjun Lu, Shota Okamura, Satoshi Kajiyama, Junya Uchida, Shunsuke Sato, Go Watanabe*, Yoshiki Ishii, Hitoshi Washizu, Goran Ungar*, Takashi Kato*
"Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity"
ChemPhysChem. 24, e202200927 (2023).
Selected as a “Front Cover”!
DOI: 10.1002/cphc.202200927

Takashi Matsui*, Eiji Kojitani, Taichi Takasawa, Arisa Suto, Ami Tamari, Go Watanabe, Yoshio Kodera*
"Assessment of inconsistencies in the solvent-accessible surfaces of proteins between crystal structures and solution structures observed by LC-MS"
Biochem. Biophys. Res. Commun. 640, 97-104 (2023).
DOI: 10.1016/j.bbrc.2022.11.094

Senri Tanaka, Naoki Yamamoto, Kento Kasahara, Yoshiki Ishii, Nobuyuki Matubayasi*
“Crystal Growth of Urea and Its Modulation by Additives as Analyzed by All-Atom MD Simulation and Solution Theory”
J. Phys. Chem. B 126, 5274-5290 (2022).
DOI: 10.1021/acs.jpcb.2c01764

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Hiroya Nishikawa*, Koki Sano, Saburo Kurihara, Go Watanabe, Atsuko Nihonyanagi, Barun Dhara, Fumito Araoka*
"Nano-clustering mediates phase transitions in a diastereomerically-stabilized ferroelectric nematic system"
Commun. Mater. 3, 89 (2022).
DOI: 10.1038/s43246-022-00312-9

Yoshiki Ishii*, Nobuyuki Matubayasi*, Hitoshi Washizu*
“Nonpolarizable Force Fields through the Self-Consistent Modeling Scheme with MD and DFT Methods: From Ionic Liquids to Self-Assembled Ionic Liquid Crystals”
J. Phys. Chem. B 126, 4611-4622 (2022).
DOI: 10.1021/acs.jpcb.2c02782

Yuka Ikemoto*, Yoshihisa Harada, Masaru Tanaka, Shin-nosuke Nishimura, Daiki Murakami, Naoya Kurahashi, Taro Moriwaki, Kosuke Yamazoe, Hitoshi Washizu, Yoshiki Ishii, Hajime Torii*
“Infrared Spectra and Hydrogen-Bond Configurations of Water Molecules at the Interface of Water-Insoluble Polymers under Humidified Conditions”
J. Phys. Chem. B 126, 4143-4151 (2022).
DOI: 10.1021/acs.jpcb.2c01702

Takeshi Serizawa, Saeko Yamaguchi, Moe Amitani, Sawa Ishii,  Hiromi Tsuyuki, Yukiko Tanaka, Toshiki Sawada, Izuru Kawamura, Go Watanabe, Masaru Tanaka*
"Alkyl chain length-dependent protein nonadsorption and adsorption properties of crystalline alkyl β-celluloside assemblies"
Colloids Surf. B. 220, 112898 (2022).
DOI: 10.1016/j.colsurfb.2022.112898

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Kenji Shinozaki*, Yoshiki Ishii, Sohei Sukenaga, Koji Ohara
“Ultrafast Nanocrystallization of BaF2 in Oxyfluoride Glasses with Crystal-like Nanostructures: Implications for Upconversion Fiber Devices”
ACS Appl. Nano Mater. 5, 4281-4292 (2022).
DOI: 10.1021/acsanm.2c00205

Shohei Kumagai, Hiroyuki Ishii, Go Watanabe, Craig P. Yu, Shun Watanabe, Jun Takeya, Toshihiro Okamoto*
“Nitrogen-Containing Perylene Diimides: Molecular Design, Robust Aggregated Structures, and Advances in n-Type Organic Semiconductors”
Acc. Chem. Res. 55, 660–672 (2022).
DOI: 10.1021/acs.accounts.1c00548

Yusaku Kawai, Junsu Park, Yoshiki Ishii, Osamu Urakawa, Shunsuke Murayama, Ryohei Ikura, Motofumi Osaki, Yuka Ikemoto, Hiroyasu Yamaguchi, Akira Harada*, Tadashi Inoue, Hitoshi Washizu*, Go Matsuba*, Yoshinori Takashima*
“Preparation of Dual Cross-Network Polymers by Knitting Method and Evaluation of Their Mechanical Properties”
NPG Asia Mater. 14, 32-pp.1-11 (2022).
DOI: 10.1038/s41427-021-00348-2

Kengo Takemoto, Yoshiki Ishii, Hitoshi Washizu, Kang Kim*, Nobuyuki Matubayasi
“Simulating the Nematic-Isotropic Phase Transition of Liquid Crystal Model via Generalized Replica-Exchange Method”
J. Chem. Phys. 156, 014901-pp.1-8 (2022).
DOI: 10.1063/5.0073105

Kazuki Fukushima*, Kodai Matsuzaki, Masashi Oji, Yuji Higuchi, Go Watanabe, Yuki Suzuki, Moriya Kikuchi, Nozomi Fujimura, Naofumi Shimokawa, Hiroaki Ito, Takashi Kato, Seigou Kawaguchi*, Masaru Tanaka*
“Anisotropic, Degradable Polymer Assemblies Driven by a Rigid Hydrogen-Bonding Motif That Induce Shape-Specific Cell Response”
Macromolecules 55, 15-25 (2022).
DOI: 10.1021/acs.macromol.1c01894

Yoshiki Ishii*, Tomohiro Murakami, Norikazu Ohtori*
“Molecular Size and Shape Effects: Tracer Diffusion and the Stokes-Einstein Relation”
J. Mol. Liq. 346, 118235-pp.1-7 (2022).
DOI: 10.1016/j.molliq.2021.118235

Masanori Suzuki*, Norimasa Umesaki, Yoshiki Ishii
“Highly Disordered Ionic Distribution in α‐Dicalcium Silicate for Structure Relaxation”
J. Am. Ceram. Soc. 105, 700-711 (2022).
DOI: 10.1111/jace.18096

Atsuya Yaguchi, Mio Oshikawa, Go Watanabe, Hirotsugu Hiramatsu, Noriyuki Uchida, Chikako Hara, Naoko Kaneko, Kazunobu Sawamoto, Takahiro Muraoka*, Itsuki Ajioka*
“Efficient protein incorporation and release by a jigsaw-shaped self-assembling peptide hydrogel for injured brain regeneration”
Nat. Commun. 12, 6623 (2021).
DOI: 10.1038/s41467-021-26896-3

​​Chiharu Ueda, Junsu Parka, Kazuya Hirose, Subaru Konishi, Yuka Ikemoto, Motofumi Osaki, Hiroyasu Yamaguchi, Akira Harada*, Masaru Tanaka*, Go Watanabe*, Yoshinori Takashima*
“Behavior of supramolecular cross-links formed by host-guest interactions in hydrogels responding to water contents”
Supramol. Mater. 1, 100001 (2021).
​DOI: 10.1016/j.supmat.2021.100001

Craig P. Yu, Naoya Kojima, Shohei Kumagai, Tadanori Kurosawa, Hiroyuki Ishii, Go Watanabe, Jun Takeya, Toshihiro Okamoto*
“Approaching isotropic charge transport of n-type organic semiconductors with bulky substituents”
Communs. Chem. 4, 155 (2021).
DOI: 10.1038/s42004-021-00583-2

Yoshiki Ishii*, Nobuyuki Matubayasi, Go Watanabe, Takashi Kato*, Hitoshi Washizu*
“Molecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal”
Sci. Adv. 7, eabf0669 (2021).
Selected as a “Cover” !
DOI: 10.1126/sciadv.abf0669

​So Shikita, Go Watanabe, Dai Kanouchi, Junya Saito, Takuma Yasuda*
"Alternating Donor–Acceptor π‐Conjugated Macrocycle Exhibiting Efficient Thermally Activated Delayed Fluorescence and Spontaneous Horizontal Molecular Orientation"
Adv. Photonics Res. 2, 2100021 (2021).
DOI: 10.1002/adpr.202100021

Shigetaka Yoneda*, Takami Saito, Daisuke Nakajima, Go Watanabe
"Potential of mean force and umbrella sampling simulation for the transport of 5‐oxazolidinone in heterotetrameric sarcosine oxidase"
Proteins 89, 811-818 (2021).
DOI: 10.1002/prot.26060

Lukman Hakim*, Yoshiki Ishii, Nobuyuki Matubayasi*
“Spatial-Decomposition Analysis of Electrical Conductivity in Mixtures of Ionic Liquid and Sodium Salt for Sodium-Ion Battery Electrolytes”
J. Phys. Chem. B 125, 3374-3385 (2021).
DOI: 10.1021/acs.jpcb.1c00372

​Cheng Zhang, Yuan Guo, Dan He, Jouji Komiya, Go Watanabe, Takuya Ogaki, Chengyuan Wang, Atsuko Nihonyanagi, Hiroyuki Inuzuka, Hao Gong, Yuanping Yi*, Kazuo Takimiya, Daisuke Hashizume, Daigo Miyajima*
”A Design Principle for Polar Assemblies with C3-Sym Bowl-Shaped π-Conjugated Molecules”
Angew. Chem. Int. Ed. 60, 3216-3267 (2021).
DOI: 10.1002/anie.202013333

Kazuto Nakamura, Shinya Sugiura, Fumito Araoka, Satoshi Aya, Yoichi Takanishi, Go Watanabe, Ryuma Sato, Yasuteru Shigeta, Hiromitsu Maeda*
”Conformation-Changeable π-Electronic Systems with Metastable Bent-Core Conformations and Liquid-Crystalline-State Electric-Field-Responsive Properties”
Org. Lett. 23, 305-310 (2021).
Selected as a “Supplementary Cover” !
DOI: 10.1021/acs.orglett.0c03791

2021年以前は 個人ページ（GW / YI）をご参照ください