Papers - UTO Takuya
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Eutectic electrolytes composed of trifluoroacetamides and lithium bis(fluorosulfonyl)amide Reviewed International journal
Kazuki Yoshii, Yuta Maeyoshi, Takuya Uto, Toshiyuki Moriuchi
Journal of Molecular Liquids 426 2025.3
Language:English Publishing type:Research paper (scientific journal)
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Fully virtual exploration of cellulose solvents International journal
Yu Kaneko, Satoshi Okiba, Yutaka Isobe, Takashi Arai, Takuya Uto
ChemRxiv 2025.3
Authorship:Last author, Corresponding author Language:English Publishing type:Research paper (scientific journal)
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A low-viscous and flowable zwitterionic liquid Reviewed International journal
Mitsuhiro Shimizu, Tetsuo Fujie, Mayu Shibata, Tetsuo Komori, Kazuaki Ninomiya, Kenji Takahashi, Takuya Uto, Kosuke Kuroda
Chemical Communications 61 ( 24 ) 4702 - 4705 2025.2
Language:English Publishing type:Research paper (scientific journal)
DOI: 10.1039/d4cc06448h
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Dual-functionalized zwitterionic polymers for cell cryopreservation Reviewed International journal
Yuya Matsuda, Takeru Ishizaki, Takuya Uto, Issei Onoda, Richard W. Wong, Kenji Takahashi, Eishu Hirata, Kosuke Kuroda
Langmuir 41 ( 6 ) 3888 - 3894 2025.2
Language:English Publishing type:Research paper (scientific journal)
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Unbiased picture of the ligand docking process for the hevein protein-oligosaccharide complex Reviewed International journal
Toshifumi Yui, Takuya Uto
Scientific Reports 15 ( 1 ) Article number: 3335 2025.1
Authorship:Last author Language:English Publishing type:Research paper (scientific journal)
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Atomistic simulations of polysaccharide materials for insights into their crystal structure, nanostructure, and dissolution mechanism Invited Reviewed International journal
Takuya Uto
Polymer Journal 57 ( 1 ) 33 - 41 2025.1
Authorship:Lead author, Last author, Corresponding author Language:English Publishing type:Research paper (scientific journal)
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Structure-property relationship of ionic liquids based on theoretical and computational chemistry Invited Reviewed
Takuya Uto, Yu Kaneko
The Chemical Times 2024.10
Authorship:Lead author, Corresponding author Language:Japanese Publishing type:Research paper (scientific journal)
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Molecular dynamics simulations of structural polysaccharides and carbohydrate-related proteins Invited Reviewed
Takuya Uto, Toshifumi Yui
Bulletin of Applied Glycoscience 14 ( 3 ) 162 - 169 2024.8
Authorship:Lead author, Corresponding author Language:Japanese Publishing type:Research paper (scientific journal) Publisher:The Japanese Society of Applied Glycoscience
DOI: 10.5458/bag.14.3_162
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Optimization of zwitterionic polymers for cell cryopreservation Reviewed International journal
Yui Kato, Takuya Uto, Takeru Ishizaki, Daisuke Tanaka, Kojiro Ishibashi, Yuya Matsuda, Issei Onoda, Akiko Kobayashi, Masaharu Hazawa, Richard W. Wong, Kenji Takahashi, Eishu Hirata, Kosuke Kuroda
Macromolecular Bioscience 24 ( 7 ) Article number: e2300499 2024.7
Language:English Publishing type:Research paper (scientific journal)
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Extended ensemble simulation study of structural polysaccharide crystal structures Invited
Toshifumi Yui, Takuya Uto
Cellulose Communications 31 18 - 21 2024.3
Authorship:Last author Language:Japanese Publishing type:Research paper (scientific journal)
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Physicochemical properties of pyrrolidinium-based room temperature ionic liquids with propoxyethyl, ethoxypropyl, or (methoxymethoxy)ethyl group Reviewed International journal
Kazuki Yoshii, Takuya Uto
Electrochemistry 92 ( 4 ) Article number: 043007 2024.2
Authorship:Last author, Corresponding author Language:English Publishing type:Research paper (scientific journal) Publisher:The Electrochemical Society of Japan
Room temperature ionic liquids (RTILs) with ether oxygen atoms in the side chain have been investigated for electrochemical applications because they show favorable transport properties compared with alkyl analogs. However, the influence of the position and number of ether oxygen atoms on physical properties has not yet been fully clarified. In the present study, the physicochemical properties of RTILs consisting of bis(trifluoromethanesulfonyl)amide (TFSA<sup>−</sup>) with 1-methy-1-propoxyethylpyrrolidinium (Pyr<sub>1,2O3</sub><sup>+</sup>), 1-methyl-1-ethoxypropylpyrrolidinium (Pyr<sub>1,3O2</sub><sup>+</sup>), and 1-methyl-1-(methoxymethoxy)ethylpyrrolidinium (Pyr<sub>1,2O1O1</sub><sup>+</sup>) was investigated using experimental and computational approach. Pyr<sub>1,2O3</sub>TFSA exhibited the lowest viscosity and highest ionic conductivity. Pyr<sub>1,2O1O1</sub>TFSA with two oxygen atoms in the side chain showed relatively high viscosity, indicating the physicochemical properties were affected sensitively by the position and number of ether oxygen atoms. Furthermore, by comparing with the structural isomers reported so far, we were able to systematically discuss the introduction effect of ether oxygen on the physicochemical properties of RTILs.
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Protein cryoprotectant ability of the aqueous zwitterionic solution Reviewed International journal
Takahiro Takekiyo, Shuto Yamada, Takuya Uto, Masaharu Nakayama, Tetsuya Hirata, Takeru Ishizaki, Kosuke Kuroda, Yukihiro Yoshimura
Journal of Physical Chemistry B 128 ( 2 ) 526 - 535 2024.1
Language:English Publishing type:Research paper (scientific journal)
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Cell-compatible isotonic freezing media enabled by thermo-responsive osmolyte-adsorption/exclusion polymer matrices Reviewed International journal
Yui Kato, Yuya Matsuda, Takuya Uto, Daisuke Tanaka, Kojiro Ishibashi, Takeru Ishizaki, Akio Ohta, Akiko Kobayashi, Masaharu Hazawa, Richard W. Wong, Kazuaki Ninomiya, Kenji Takahashi, Eishu Hirata, Kosuke Kuroda
Communications Chemistry 6 ( 1 ) Article number: 260 2023.12
Language:English Publishing type:Research paper (scientific journal)
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Control of thermal diffusivity of nanocellulose papers by introduction of metal ions Invited
Kojiro Uetani, Takuya Uto
Journal of the Japan Society of Colour Material 96 ( 7 ) 228 - 232 2023.7
Authorship:Last author Language:Japanese Publishing type:Research paper (scientific journal) Publisher:Japan Society of Colour Material
Crystalline cellulose nanofibers (nanocelluloses) are produced through chemical purification and nanofibrillation of biomass such as ascidian mantles and wood flour. Nanocellulose with carboxy groups introduced on the surface is dried to make a freestanding paper, and when immersed in an aqueous solution of metal chloride, metal ions can be introduced into the nanocellulose paper. The thermal diffusivity of these metal ion-introduced papers was measured in a low-humidity environment and found to vary depending on the ionic radius and electronegativity. This review outlines the recently revealed thermal conductive properties of nanocellulose papers and the control of thermal diffusivity by ion introduction.
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Extended ensemble molecular dynamics study of ammonia-cellulose I complex crystal models: Free-energy landscape and atomistic pictures of ammonia diffusion in the crystalline phase Reviewed International journal
Toshifumi Yui, Takuya Uto, Kotaro Noda
Journal of Chemical Information and Modeling 63 ( 13 ) 4088 - 4099 2023.7
Language:English Publishing type:Research paper (scientific journal)
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Strong attractive interaction between finite element models of twisted cellulose nanofibers by intermeshing of twists Reviewed International journal
Kojiro Uetani, Takuya Uto
RSC Advances 13 ( 24 ) 16387 - 16395 2023.5
Authorship:Last author Language:English Publishing type:Research paper (scientific journal)
DOI: 10.1039/d3ra01784b
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Molecular dynamics simulation study of chitosan−zinc chloride complex model Reviewed
Kotaro Noda, Takuya Uto, Toshifumi Yui
Journal of Fiber Science and Technology 79 ( 2 ) 24 - 31 2023.3
Language:Japanese Publishing type:Research paper (scientific journal) Publisher:The Society of Fiber Science and Technology, Japan
We report molecular dynamics simulation study of chitosan-zinc chloride complex crystal model to predict a hydrated structure and to evaluate the potential of mean force (PMF), namely, the free energy difference, in migration of a guest zinc chloride molecule in the crystal model. The accelerated molecular dynamics method was adopted to predict the hydrate structure of the crystal model, which proposed the crystal model interior involving four to five water molecules per a unit cell. The water molecules were mostly located in the crystal void surrounded by the functional groups of D-glucosamine and zinc chloride molecules, where the water molecules were mostly coordinated to zinc atoms. The PMF profile, obtained by using adaptive steered molecular dynamics method, exhibited continuously increase in the base line accompanied with appreciable minima, each of which corresponded to formations of interactions between the zinc chloride molecule and the polar functional groups, suggesting that the zinc chloride molecule on migration was handed over the C6 hydroxyl and C2 amino groups, while C3 hydroxyl groups were irrelevant to such an interaction. It was suggested that a zinc chloride molecule was more readily accommodated in the void through coordination with a C6 hydroxyl group which was more spatially mobile through C5-C6 bond rotation.
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Tunability of the thermal diffusivity of cellulose nanofibril films by addition of multivalent metal ions Reviewed International journal
Kojiro Uetani, Keitaro Kasuya, Soh Yoshikawa, Takuya Uto
Carbohydrate Polymers 297 Article number: 120010 2022.12
Authorship:Last author, Corresponding author Language:English Publishing type:Research paper (scientific journal)
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Theoretical study on dissolution mechanism of chitin crystal in ionic liquids Reviewed
Takuya Uto
Chitin and Chitosan Research 28 16 - 21 2022.4
Authorship:Lead author, Last author, Corresponding author Language:Japanese Publishing type:Research paper (scientific journal)
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Off-axis photoelasticity by anisotropic molecular deformation of uniaxially aligned cellulose nanofiber films Invited Reviewed International journal
Kojiro Uetani, Takuya Uto
Carbohydrate Polymer Technologies and Applications 2 ( 25 ) Article number: 100166 2021.12
Authorship:Last author, Corresponding author Language:English Publishing type:Research paper (scientific journal) Publisher:Elsevier Ltd.
We report the angle dependence of the photoelasticity for unidirectionally aligned films of bacterial cellulose nanofibers (CNFs) by applying the off-axis stress at 0°–90° with respect to the CNF orientation. The photoelastic coefficient was positive when the stress direction was close to the CNF axial direction, and it was negative when the stress was applied close to the lateral direction. The positive to negative photoelasticity was also observed in the off-axis photoelasticity of the cellophane film and in the density functional theory (DFT) calculations for the stretching between two atoms in the cellobiose model. On the other hand, unlike the cellophane film, the CNF film showed a positively and negatively asymmetric photoelasticity of 5 to −10 TPa−1, reflecting the anisotropy of the crystal modulus tensor. We found that the presence or absence of cellulose crystals controls the anisotropy of photoelasticity by constraining the molecular deformation.