Toshifumi Yui - My portal

Profile Information

Affiliation: Professor, Engineering educational research section Department of Applied Chemistry, University of Miyazaki

J-GLOBAL ID: 200901080701176822
researchmap Member ID: 5000057049

External link

Research Interests

分子シミュレーション、計算化学、セルロース、多糖類、糖質関連タンパク質、分子認識

Research Areas

Life sciences / Wood science / cellulose, molecular dynamics simulation, polysaccharide, protein
Nanotechnology/Materials / Polymer materials / cellulose, molecular dynamics simulation, polysaccharide, protein

Research History

Jan, 2016 - Present

Professor, Engineering educational research section Department of Applied Chemistry, University of Miyazaki
Apr, 2007 - Dec, 2015

Associate Professor, Faculty of Engineering Department of Appliied Chemistry Living thing material chemical course, University of Miyazaki
Apr, 2001 - Mar, 2007

Associate Professor (as old post name), Faculty of Engineering Department of Appliied Chemistry Living thing material chemical course, University of Miyazaki
Apr, 1999 - Mar, 2001

Associate Professor (as old post name), Faculty of Engineering Department of Appliied Chemistry Function material chemical course, University of Miyazaki
Oct, 2000 - Oct, 2000

助教授, 京都大学木質科学研究所
Apr, 1997 - Mar, 1999

Associate Professor (as old post name), University of Miyazaki
Jun, 1994 - Mar, 1997

Associate Professor (as old post name), University of Miyazaki
Apr, 1995 - Sep, 1996

Associate Professor (as old post name), Faculty of Agriculture Department of Biochemistry and Applied Biosciences, University of Miyazaki
Nov, 1989 - May, 1994

Research Assistant, University of Miyazaki
Jul, 1990 - Jul, 1991

Miyazaki Medical College

Education

- Aug, 1989

Department of Chemistry, College of Environmental Science and Forestry, State University of New York

Awards

Jul, 2014

平成25年度セルロース学会林治助賞, 有限結晶モデル法によるセルロースⅠ型およびⅢⅠ型結晶構造の計算化学研究, セルロース学会

Papers

Extended ensemble molecular dynamics study of cellulose I–ethylenediamine complex crystal models: atomistic picture of desorption behaviors of ethylenediamine

Toshifumi Yui, Takuya Uto

Cellulose, 29(5) 2855-2867, Mar, 2022
Cellulose-synthesizing machinery in bacteria

Kenji Tajima, Tomoya Imai, Toshifumi Yui, Min Yao, Inder Saxena

Cellulose, 29(5) 2755-2777, Oct 1, 2021
Molecular and Crystal Structure of a Chitosan−Zinc Chloride Complex

Toshifumi Yui, Takuya Uto, Kozo Ogawa

Nanomaterials, 11(6) 1407-1407, May 26, 2021
Molecular Dynamics Simulation of Cellulose Synthase Subunit D Octamer with Cellulose Chains from Acetic Acid Bacteria: Insight into Dynamic Behaviors and Thermodynamics on Substrate Recognition

Takuya Uto, Yuki Ikeda, Naoki Sunagawa, Kenji Tajima, Min Yao, Toshifumi Yui

Journal of Chemical Theory and Computation, 17(1) 488-496, Dec 31, 2020 Peer-reviewed
Nanocellulose enriches enantiomers in asymmetric aldol reactions

Naliharifetra Jessica Ranaivoarimanana, Xin Habaki, Takuya Uto, Kyohei Kanomata, Toshifumi Yui, Takuya Kitaoka

RSC Advances, 10(61) 37064-37071, Oct 8, 2020 Peer-reviewed
Development of Supplemental Force Field Parameters for Molecular Mechanics Calculations

Takuya Uto, Toshifumi Yui

Cellulose Communications, 27(1) 28-33, Mar, 2020 InvitedCorresponding author
Molecular Dynamics Simulation of Cellulose I-Ethylenediamine Complex Crystal Models

Takuya Uto, Meguru Minamizaki, Toshifumi Yui

Journal of Physical Chemistry B, 124(1) 134-143, Jan 9, 2020 Peer-reviewed
Docking and molecular dynamics study of the carbohydrate binding module from trichoderma reesei cel7a on the surfaces of the cellulose iii<inf>i</inf> crystal

Toshifumi Yui, Takuya Uto

Journal of Renewable Materials, 8(8) 863-878, 2020 Peer-reviewed
Molecular dynamics simulation of carbohydrates

Toshifumi Yui, Takuya Uto, Daichi Hayakawa, Yukihiro Abe

Cellulose Communications, 26(1) 35-39, Mar, 2019 InvitedCorresponding author
DFT Optimization of Isolated Molecular Chain Sheet Models Constituting Native Cellulose Crystal Structures

Takuya Uto, Toshifumi Yui

ACS Omega, 3(7) 8050-8058, Jul 31, 2018 Peer-reviewed
Molecular dynamics simulations of theoretical cellulose nanotube models

Takuya Uto, Yuta Kodama, Tatsuhiko Miyata, Toshifumi Yui

Carbohydrate Polymers, 190 331-338, Jun 15, 2018 Peer-reviewed
Double helix formation from non-natural amylose analog polysaccharides

Toshifumi Yui, Takuya Uto, Takuya Nakauchida, Kazuya Yamamoto, Jun ichi Kadokawa

Carbohydrate Polymers, 189 184-189, Jun 1, 2018 Peer-reviewed
Structural stability of the molecular chain sheets composing the crystal structures of cellulose allomorphs: A theoretical study

Takuya Uto, Tsutomu Yonekura, Toshifumi Yui

Cellulose Communications, 25(1) 15-19, Mar, 2018 InvitedCorresponding author
Higher Ordered Structure of Cellulose Predicted by Computational Chemistry: Cellulose Nanotube

Takuya Uto, Toshifumi Yui

74(7), Jul, 2017 Peer-reviewedCorresponding author
Theoretical study of the structural stability of molecular chain sheet models of cellulose crystal allomorphs

Takuya Uto, Sho Mawatari, Toshifumi Yui

Journal of Physical Chemistry B, 118(31) 9313-9321, Aug 7, 2014 Peer-reviewed
Prediction of cellulose nanotube models through density functional theory calculations

Takuya Uto, Tatsuhiko Miyata, Toshifumi Yui

Cellulose, 21(1) 87-95, Feb, 2014 Peer-reviewed
Molecular dynamics study of carbohydrate binding module mutants of fungal cellobiohydrolases

Hirohide Shiiba, Sachio Hayashi, Toshifumi Yui

Carbohydrate Research, 374 96-102, Jun 7, 2013 Peer-reviewed
Partial crystalline transformation of solvated cellulose III<inf>I</inf> crystals, reproduced by theoretical calculations

Takuya Uto, Takashi Hosoya, Sachio Hayashi, Toshifumi Yui

Cellulose, 20(2) 605-612, 2013 Peer-reviewed
Molecular simulation study with complex models of the carbohydrate binding module of Cel6A and the cellulose Iα crystal

Hirohide Shiiba, Sachio Hayashi, Toshifumi Yui

Cellulose, 19(3) 635-645, Jun, 2012 Peer-reviewed
Molecular Dynamics Simulation Study with Substrate Recognition of Carbohydrate Binding Module of Cellobiohydrolase to Cellulose Crystal

Yui Toshifumi, Shiiba Hirohide, 2(2) 129-135, Feb, 2012 InvitedLead author

Misc.

ナノセルロースが不斉決定する有機分子触媒反応の発見

北岡卓也, XIN Habaki, 舘林直子, 古賀大尚, 宇都卓也, 湯井敏文

セルロース学会年次大会講演要旨集, 23rd, 2016
バクテリア由来CeSDの構造,機能解析

村野玲奈, 渡辺耕平, 水野正浩, 宇都卓也, 磯野拓也, 湯井敏文, 天野良彦, YAO Min, 佐藤敏文, 田島健次

セルロース学会年次大会講演要旨集, 23rd, 2016
Molecular dynamics simulation study of the AxCeSD octamer compelxed with cellulose chains

Toshifumi Yui, Takuya Uto, Yuki Ikeda, Kenji Tajima, Min Yao

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 249, Mar, 2015 Peer-reviewed
Directionality of Chitin Biosynthesis

IMAI Tomoya, WATANABE Takeshi, YUI Toshifumi, SUGIYAMA Junji

9(2) 160-161, Jun 1, 2003