ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁ᢏ⾡䛻䛚䛡䜛ゎỴ䛩䜉䛝ၥ㢟䝅䝭䝳䝺䞊䝅䝵䞁䝽䞊䝹䝗䛆ඛ䛆ඛ㥑ⓗ⛉Ꮫィ⟬䛻㛵䛩䜛䝣䜷ඛ㥑ⓗ⛉Ꮫィ⟬䛻㛵䛩䜛䝣䜷䞊䝷䝮䝷䝮䝮㻞㻜㻞㻞䛇㻞㻜㻞㻞㻜㻞㻞㻞䛇V⢾㙐㧗ศᏊ䜔䜲䜸䞁ᾮయ䛻䛚䛡䜛ᵓ㐀ᶵ⬟┦㛵⢾㙐㧗ศᏊ䜔䜲䜸䞁ᾮయ䛻䛚䛡䜛ᵓ㐀ᶵ⬟┦䛾ゎ᫂䜢┠ᣦ䛧䛯ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁◊✲PV⢒ど໬ศᏊືຊᏛwVOCTA
Mesocite
LammpsQVSVᐑᓮ኱ᏛᕤᏛ㒊኱ᏛᕤᏛᕤᏛᏛ㒊Ᏹ㒔㒔 ༟ஓ᫬㛫䝇䜿䞊䝹ศᏊືຊᏛ㔞Ꮚ໬Ꮫ

Amber
CHARMM
GENESISCOMSOL
AutoDesk
Fluent 䞉䞉䞉ィ⟬䝰䝕䝹䝕䝄䜲䞁䛜㔜せ㟼㟁ẼຊศᏊ㛫ຊ

Gaussian
GAMESS

QP㑅ᢥ䛩䜛ィ⟬ᡭẁ䛻䜘䜚䚸᫬㛫䞉✵㛫䝇䜿䞊䝹䛜㝈ᐃᵓ㐀ຊᏛᵓ㐀ຊᏛὶయຊᏛ✵㛫䝇䜿䞊䝹wP❧యᵓ㐀䜔䜶䝛䝹䜼䞊䛾ணPP໬Ꮫ⤖ྜຊ⢭ᗘྥୖ䛜ᚲせ䛆」㞧⣔䛷䛒䜛䝘䝜ᵓ㐀⏺㠃䜢䝕䝄䜲䞁䠇㧗⢭ᗘ䛻ศᏊ㛫┦஫స⏝䜢ホ౯䛇䝞䜲䜸䝬䝇㈨※䛷䛒䜛䝉䝹䝻䞊䝇ᮦᩱ䛻䛚䛡䜛⏝㏵㛤Ⓨ䛾⌧≧⤖ᬗᛶ䝉䝹䝻䞊䝇ᮌᮦ䝟䝹䝥໬䞉⁐ゎ䞉෌⏕ฎ⌮⣬䝘䝜ゎ⧄䝉䝹䝷䞊䝊᳜≀⣽⬊ቨ䝺䞊䝶䞁 䝉䝻䝣䜯䞁䜲䜸䞁ᾮయ䛾䝉䝹䝻䞊䝇⁐ゎ䛸⣽⬊ẘᛶ䛻㛵䛩䜛ィ⟬໬Ꮫ◊✲ᨵ㉁䝉䝹䝻䞊䝇䝘䝜䝣䜯䜲䝞䞊䝞䜲䜸䝥䝷䝇䝏䝑䜽➼ຍỈศゎኚ᥮䜾䝹䝁䞊䝇䝞䜲䜸⇞ᩱᵓ㐀ከ⢾ᮦᩱ䛾᪂䛯䛺⏝㏵䜢㛤Ⓨ䛩䜛䛯䜑䛻䛿䚸⧄⥔ᙧែ䜔㧗ḟᵓ㐀ᙧᡂ䝯䜹䝙䝈䝮䠄ゎ⧄䞉㞟ྜ㐣⛬䠅䜢ศᏊ䝺䝧䝹䛷⌮ゎ䛩䜛䛣䛸䛜ᚲせ୙ྍḞኳ↛䛷㧗⤖ᬗᛶ⧄⥔䛸䛧䛶Ꮡᅾ䛩䜛䝉䝹䝻䞊䝇㻝㻜㻜䉝௨ୗ䛷ᾮయ䛸䛧䛶Ꮡᅾ䛩䜛⁐⼥ሷ䠖䜲䜸䞁ᾮయ᳜≀⣽⬊ቨ䝬䜽䝻䝣䜱䝤䝸䝹䜲䜸䞁ᾮయ䛾≉ᛶ䚽 㻝㻜㻜䉝௨ୗ䛷ᾮయ䛸䛧䛶Ꮡᅾ䛩䜛ሷ䚽 㧗䛔䜲䜸䞁ఏᑟᛶ䚽 ᴟ䜑䛶ప䛔⵨Ẽᅽ䠄ศ㞳䛜ᅔ㞴䠅䚽 㞴⁐ᛶ໬ྜ≀䛻ᑐ䛩䜛⁐ゎᛶ䚽 ⤌䜏ྜ䜟䛫䛜↓ᩘ䛻Ꮡᅾ䛩䜛㼟㻌㼟㼛㼘㼢㼑㼚㼠䛾䝁䞁䝉䝥䝖䠅䠄㻰㼑㼟㼕㼓㼚㼑㼞㼟䝉䝹䝻䞊䝇䝭䜽䝻䝣䜱䝤䝸䝹䜲䜸䞁⤖ᬗ⤖ᬗ໬ᗘ
(70-90%)Ỉ䜔୍⯡ⓗ䛺᭷ᶵ⁐፹䛻㞴⁐䛷䛒䜚䚸ຍᕤᛶ䛻ஈ䛧䛔

R'RXNClNCl10wt%⁐ゎ

R. Swatloski, et al., J. Am. Chem. Soc. 124 (2002)

RRR'

N
R18wt%⁐ゎN

X = Cl-, Br-, lPF6- , BF4PO43- , NO3AlCl4- , OHCH3COO(CN)2NCF3SO3(CF3SO2)2N-R

R XR'

ሷ໬1-䜰䝸䝹-3-䝯䝏䝹䜲䝭䝎䝌䝸䝮

NX

NR''

R'

RXX

NR

PR

R X

R'

H. Zhang, et al., Macromolecules 38 (2005)

䝉䝹䝻䞊䝇⤖ᬗ⧄⥔䛾Ỉ⣲⤖ྜ㔞䛸⁐ゎᗘ䛾㛵ಀ䜲䜸䞁ᾮయ୰䛷䛾䝉䝹䝻䞊䝇⁐ゎ䝅䝭䝳䝺䞊䝅䝵䞁ඛ䜣䛨䛶䚸䜲䜸䞁ᾮయ䛰䛡䛷ᵓᡂ䛥䜜䜛⣔䛷ᐦᗘ䞉㍺㏦≉ᛶ䜢෌⌧䛩䜛᪉ἲㄽ䜢☜❧䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䛳䛶⌧ᐇ䛾≀ᛶ䜢෌⌧ฟ᮶䛺䛡䜜䜀↓ព࿡䟿

NN
Cl

Cellulose solubility (wt%) 䠄ᐇ㦂್䠅NR'NN

᭱㏆䚸䝉䝹䝻䞊䝇䜢⁐ゎ䛩䜛䜲䜸䞁ᾮయ䛻ὀ┠ሷ໬1-䝤䝏䝹-3-䝯䝏䝹䜲䝭䝎䝌䝸䝮䜲䜸䞁ᾮయ

20AMIMCl15EMIMCl
10BMIMOAc
BMBMIMCl
BMAMIMOAc 䖩EMIMOAc
E5030
T. Uto, et al., J. Phys. Chem. B 122, 258–266 (2018)

R2=0.96

AMIMBr 䖩EMIMBr
MB405060

BMIMBr
7080

Number of hydrogen bonds (%) 䠄ィ⟬್䠅
T. Uto, J. Soc. Fiber. Sci. Technol. 75, 497–500 (2019)᭱㏆䚸䝉䝹䝻䞊䝇⁐ゎᛶ䜢᭷䛩䜛పẘᛶ䛾୧ᛶ䜲䜸䞁ᾮయ䛜㛤Ⓨ䜲䜸䞁ᾮయ䛻䜘䜛䝉䝹䝻䞊䝇⁐ゎ䛾ศᏊㄽⓗ䝯䜹䝙䝈䝮2(LP&&⁐ゎ&DWLRQ

H3 C$QLRQOC
H2

H2CO

H2CC
H2NNC
H2H2COC
H2CO

T. Uto, et al., J. Phys. Chem. B. 122, 258 (2018)
T. Uto, J. Soc. Fiber. Sci. Technol. 75, 497 (2019)䜰䝙䜸䞁䛾ᙺ๭䠖 ศᏊ㛫Ỉ⣲⤖ྜ䜢ษ᩿䜹䝏䜸䞁䛾ᙺ๭䠖 ๤㞳ศᏊ㙐䛜⤖ᬗ┦䛻ᡠ䜛䛣䛸䜢ጉ䛢䜛䛣䛸䛷ศᩓ≧ែ䛾Ᏻᐃ໬䛻ᐤ୚
K. Kuroda, et al., J. Am. Chem. Soc. 139, 16052–16055 (2017)䜲䜸䞁ᾮయ䛾⣽⬊ẘᛶ䜢⬡㉁஧㔜⭷䛸䛾ぶ࿴ᛶ䛻䜘䜚ホ౯୧ᛶ䜲䜸䞁ᾮయ୰䛻䛚䛡䜛䝉䝹䝻䞊䝇⁐ゎ䝅䝭䝳䝺䞊䝅䝵䞁

H2

H2

䠷C4imC1+䠹䠷OAc-䠹 H C C CH C N
3FHOOXORVH FKDLQ

2NCH3O
H3C COH

OE2imC3C

H 3C

O

H2CC
H2OC
H2H2CNN

H2CC
H2H2CCOHO2(LP&&'062⬡㉁⭷䛻౵ධ䛫䛪DIWHUwVT. Uto, Bioscience & Industry 79, 42–43 (2021)
K. Kuroda, et al., Commun. Chem. 3, 163 (2020) (IF: 6.581) JST䝥䝺䝇䝸䝸䞊䝇䚸2020ᖺ11᭶䜲䜸䞁ᾮయ䛾ᵓ㐀ᶵ⬟┦㛵䜢ゎ᫂䛩䜛䛣䛸䛻ᣮᡓ䝉䝹䝻䞊䝇⁐ゎᛶ䛸⣽⬊ẘᛶ䜢⌮ㄽィ⟬䛷ண

H3 C

H2CC
H2

H2CC
H2

H2CC
H2

H2C

ᐇ㦂䞉⌮ㄽⓗ䜰䝥䝻䞊䝏䛾⼥ྜ䛻䜘䜛䜲䜸䞁ᾮయ䛾⣽⬊ẘᛶホ౯
N

N

CH3O
H3 C C㧗㏿ཎᏊ㛫ຊ㢧ᚤ㙾ീ

OH

C4imC3C

C8imC3C

㻝㻤✀㢮䛾䜲䜸䞁ᾮయ䜢ホ౯

T. Uto*, K. Kuroda*, et al., ACS Sustain. Chem. Eng. 9, 11825–11836 (2021) (IF: 8.198)

LRQLFOLTXLG

DUHDSHUOLSLG ഺ2(LP&&s &LP&&s &LP&&s &LP&&s &LP&&s ZDWHU RQO\ FRQWURO

s C4imC3C

C4imC5C

C8imC3C

T. Uto*, K. Kuroda*, et al., ACS Sustain. Chem. Eng. 9, 11825–11836 (2021) (IF: 8.198)

୧ᛶ䜲䜸䞁ᾮయ䛻䛚䛡䜛⣽⬊ಖㆤᶵ⬟䛾ⓎぢZDWHU'062

ZDWHU2(LP&&'062䝍䞁䝟䜽㉁䛾⢾㙐ㄆ㆑䛻㛵䛩䜛䜛ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁◊✲䛂㞴⁐ᛶ⸆๣䛾⁐ゎ๣䛃䜔䛂⣽⬊෾⤖ಖᏑ๣䛃䛸䛧䛶䛾᪂つ䛺㠀Ỉ⣔⁐፹䜢ᥦ᱌
Y. Kato, T. Uto, et al., Commun. Chem. 4, 151 (2021) (IF: 6.581)

㻯㼑㻿㻰䝍䞁䝟䜽㉁䛻ᑐ䛩䜛⢾㙐䛾䝗䝑䜻䞁䜾䝅䝭䝳䝺䞊䝅䝵䞁ᥦ᱌䛥䜜䛶䛔䜛䝞䜽䝔䝸䜰䝉䝹䝻䞊䝇䛾ྜᡂᶵᵓ䝰䝕䝸䞁䜾ᵓ㐀䝉䝹䝻䞊䝇ྜᡂ㓝⣲」ྜయCeSC$FHWREDFWHUDFHDH

CeSD
CeSA/B㓄ྥ䞉⤖ᬗ໬CeSDǻ1

CeSDwt90㼻㔜ྜ䠄㌿⛣䠅㻯㼑㻿㻰䝍䞁䝟䜽㉁䛾ㅦ䛻ᣮ䜐㻯㼑㻿㻰 㻺ᮎ➃Ḟᦆᰴ䛾䝉䝹䝻䞊䝇ྜᡂ཰⋡ྛ⢾㙐䛾ᗘᅉᏊCeSDwtCeSDǻ1CeSDǻ1CeSDǻ1
020
40
60
80
100
5HODWLYHFHOOXORVH\LHOG S. Q. Hu, et. al., Proc. Natl. Acad. Sci. USA 107, 17957–17961 (2010)㻔㻝㻕 㻯㼑㻿㻰䝍䞁䝟䜽㉁䛾⢾㙐⤒㊰䛿䚸┤⥺≧䛷䛺䛟㻞䛛ᡤ䛷ᢡ䜜᭤䛜䛳䛯㻿Ꮠ≧䛾ᙧ≧㻔㻞㻕 ᒅ᭤㒊䛻䛚䛔䛶䝉䝹䝻䞊䝇ศᏊ㙐䛿䚸㻯㼑㻿㻰䛛䜙ᅽ㏕䜢ཷ䛡䛶䛔䜛䛣䛸䛜ほᐹ㻯㼑㻿㻰䝍䞁䝟䜽㉁䛻䛚䛡䜛䝢䝷䝜䞊䝇⎔䛾㓄ᗙኚ᥮䜢క䛖⢾㙐ㄆ㆑㻯㼑㻿㻰䛻䜘䛳䛶⢾㙐㍺㏦䛜࿘ᮇⓗ䛻ไᚚ䛥䜜䛶䛔䜛䛯䜑䚸㻠ᮏ䛾䝉䝹䝻䞊䝇ศᏊ㙐䛜ྠᮇ䛧䛶⛣ື䛩䜛䛣䛸䛷䚸䝉䝹䝻䞊䝇⤖ᬗ⧄⥔䛾ᙧᡂ䛻ᐤ୚䛩䜛ᶵᵓ䜢ᥦ᱌ィ⟬໬Ꮫ䛻䜘䜛䜲䜸䞁ᾮయ䛾ᵓ㐀≀ᛶ┦㛵䛾ゎ᫂

T. Uto, et al., J. Chem. Theory Comput. 17, 488–496 (2021) (IF: 6.006)
ᥖ㍕ㄅ䝣䝻䞁䝖䜹䝞䞊䛻㑅ฟ䠄ᐑᓮ኱Ꮫ䞉ᮾி኱Ꮫ䞉໭ᾏ㐨኱Ꮫ䝥䝺䝇䝸䝸䞊䝇䚸2021ᖺ1᭶䠅ศᏊຊሙ䛾㛵ᩘᆺ䛸䝟䝷䝯䞊䝍䛻䛴䛔䛶ܸ =෍ ‫ܭ‬௥ ‫ ݎ‬െ ‫ݎ‬௘௤ଶศᏊຊሙ䝟䝷䝯䞊䝍㛤Ⓨ䛻䜘䛳䛶ᑐ㇟⣔䛾ᣑᙇ䛜ᐜ᫆䛻+ ෍ ‫ܭ‬ఏ ߠ െ ߠ௘௤௕௢௡ௗ௦

ଶ䝢䝻䝸䝆䝙䜴䝮ᆺ䜲䜸䞁ᾮయ௔௡௚௟௘௦

+෍ௗ௜௛௘ௗ௥௔௟௦

+ ෍௜ழ௝䞉 䝟䝷䝯䞊䝍䞉 ኚᩘܸ௡
1 + cos ݊߶ െ ߛ௡2‫ݍ‬௜ ‫ݍ‬௝+ ෍ 4ߝ௜௝
4ߨߝ଴ ܴ௜௝௜ழ௝

ߪ௜௝
ܴ௜௝

H 3C

ଵଶ

െ

ߪ௜௝
ܴ௜௝

RNONSF3C

଺OSO O

CF3Pyr1,4; R = CH2 CH2 CH2 CH3
Pyr1,6; R = CH2 CH2 CH2 CH2 CH2Pyr1,1O2; R = CH2 O CH2 CH3
Pyr1,1O4; R = CH2 O CH2 CH2 CH2
Pyr1,2O1; R = CH2 CH2 O CH3
Pyr1,4O1; R = CH2 CH2 CH2 CH2 O
Pyr1,1O2O1; R = CH2 O CH2 CH2 O䜹䝏䜸䞁ഃ㙐䛾㓄ᗙᣲື䛸┦஫స⏝䛜ᾮయ≀ᛶ䜢Ỵᐃ
Ri,jศᏊෆ┦஫స⏝˓r⤖ྜ㛗䚸⤖ྜゅ䚸⤖ྜᅇ㌿ゅ䚸䜽䞊䝻䞁ຊ䚸䝣䜯䞁䝕䝹䝽䞊䝹䝇ຊ䜽䞊䝻䞁ຊș໬Ꮫ⤖ྜຊศᏊ㛫┦஫స⏝Ri,j㼢㼐㼃ຊ䜽䞊䝻䞁ຊ䚸䝣䜯䞁䝕䝹䝽䞊䝹䝇ຊ䠄㼢㼐㼃ຊ䠅

K. Yoshii*, T. Uto*, et al., Phys. Chem. Chem. Phys. 22, 19480 (2020)
Back Cover䛸HOT Articles㑅ฟ䠄ᐑᓮ኱Ꮫ䝥䝺䝇䝸䝸䞊䝇䚸2020ᖺ10᭶䠅㧗⢭ᗘ䛺㔞Ꮚ໬ᏛᏛィ⟬䜔≀ᛶ䝕䞊䝍䜢䜢෌⌧䛩䜛ຊሙ䝟䝷䝯䞊䝍㛤Ⓨ䜢ᐇ⌧T. Uto, et al., J. Phys. Chem. B 122, 258–266 (2018)
T. Uto, et al., J. Phys. Chem. B 124, 134–143 (2020)㻸㼕䜲䜸䞁㟁ụ䛾ᛶ⬟ྥୖ䜢┠ᣦ䛧䛯㟁ゎ㉁㛤Ⓨ䛻䜒ᛂ⏝
K. Yoshii*, T. Uto*, et al., ChemPhysChem 22, 1548–1594 (2021)

䝸䝏䜴䝮䜲䜸䞁㟁ụ䛾ᛶ⬟ྥୖ䜢┠ᣦ䛧䛯ΰྜ㟁ゎ㉁䛾㛤Ⓨ䝢䝻䝸䝆䝙䜴䝮ᆺ䜲䜸䞁ᾮయ
H 3CRNO

S

S
F3C

O

NO O

CF3

Pyr1,4; R = CH2 CH2 CH2 CH3
Pyr1,6; R = CH2 CH2 CH2 CH2 CH2
Pyr1,1O2; R = CH2 O CH2 CH3
Pyr1,1O4; R = CH2 O CH2 CH2 CH2
Pyr1,2O1; R = CH2 CH2 O CH3
Pyr1,4O1; R = CH2 CH2 CH2 CH2 O
Pyr1,1O2O1; R = CH2 O CH2 CH2 O

ㅰ㎡CH3CH3CH3CH3ᐑᓮᓮ኱ᏛᏛᕤᏛ㒊ᛂ⏝≀㉁໬Ꮫ䝥䝻䜾䝷䝮 ‫‮‬஭஭ ᩄᩥᩥ ᩍᤵ㔠ἑ኱Ꮫ⌮ᕤ◊✲ᇦ⏕࿨⌮ᕤᏛ⣔㯮⏣⏣ ᾈ௓௓ ෸ᩍᤵ⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ㟁ụᢏ⾡◊✲㒊㛛ྜྷ஭஭ ୍ググ ୺௵◊✲ဨᮾி⌮⛉኱ᏛᕤᏛ㒊ᕤᴗ໬Ꮫ⛉ୖ㇂㇂ ᖾ἞㑻㑻 ㅮᖌ஑ᕞ኱Ꮫ᝟ሗᇶ┙◊✲㛤Ⓨ䝉䞁䝍䞊ඹྠ฼⏝㛵ಀ⪅䛾ⓙᵝ㔜Ⅼᨭ᥼ไᗘ䠄㻞㻜㻞㻜ᖺ㻠᭶䡚㻞㻜㻞㻞ᖺ㻟᭶䠅ⱝᡭ◊✲䠄㻞㻜㻷㻝㻡㻞㻟㻞䠅௧࿴㻠ᖺᗘ㻴㻼㻯㻵䝅䝇䝔䝮฼⏝◊✲ㄢ㢟ⱝᡭㄢ㢟㼔㼜㻞㻞㻜㻝㻞㻝䠄஑ᕞ኱Ꮫ 㻵㼀㻻䠅
K. Yoshii*, T. Uto*, et al., ChemPhysChem 22, 1548–1594 (2021) (IF: 3.102)

CH3CH3CH3CH3