-
1
-
-
79960880477
-
Definition of the hydrogen bond (IUPAC recommendations 2011)
-
Arunan E, Desiraju GR, Klein RA et al (2011) Definition of the hydrogen bond (IUPAC recommendations 2011). Pure Appl Chem 83: 1637-1641.
-
(2011)
Pure Appl Chem
, vol.83
, pp. 1637-1641
-
-
Arunan, E.1
Desiraju, G.R.2
Klein, R.A.3
-
3
-
-
80051745156
-
Probing the early events associated with liquid ammonia pretreatment of native crystalline cellulose
-
Bellesia G, Chundawat SPS, Langan P, Dale BE, Gnanakaran S (2011) Probing the early events associated with liquid ammonia pretreatment of native crystalline cellulose. J Phys Chem B 115: 9782-9788.
-
(2011)
J Phys Chem B
, vol.115
, pp. 9782-9788
-
-
Bellesia, G.1
Chundawat, S.P.S.2
Langan, P.3
Dale, B.E.4
Gnanakaran, S.5
-
4
-
-
84864041589
-
Coarse-grained model for the interconversion between native and liquid ammonia treated crystalline cellulose
-
Bellesia G, Chundawat SPS, Langan P, Redondo A, Dale BE, Gnanakaran S (2012) Coarse-grained model for the interconversion between native and liquid ammonia treated crystalline cellulose. J Phys Chem B 116: 8031-8037.
-
(2012)
J Phys Chem B
, vol.116
, pp. 8031-8037
-
-
Bellesia, G.1
Chundawat, S.P.S.2
Langan, P.3
Redondo, A.4
Dale, B.E.5
Gnanakaran, S.6
-
6
-
-
0001776779
-
Structural changes of cellulose crystals during the reversible transformation cellulose I: cellulose III in Valonia
-
Chanzy H, Henrissat B, Vuong R, Revol JF (1986) Structural changes of cellulose crystals during the reversible transformation cellulose I: cellulose III in Valonia. Holzforschung 40: 25-30.
-
(1986)
Holzforschung
, vol.40
, pp. 25-30
-
-
Chanzy, H.1
Henrissat, B.2
Vuong, R.3
Revol, J.F.4
-
8
-
-
79960588659
-
Restructuring the crystalline cellulose hydrogen bond network enhances its depolymerization rate
-
Chundawat SPS, Bellesia G, Uppugundla N et al (2011) Restructuring the crystalline cellulose hydrogen bond network enhances its depolymerization rate. J Am Chem Soc 133: 11163-11174.
-
(2011)
J Am Chem Soc
, vol.133
, pp. 11163-11174
-
-
Chundawat, S.P.S.1
Bellesia, G.2
Uppugundla, N.3
-
9
-
-
84857141006
-
Guayule as a feed stock for lignocellulosic biorefineries using ammonia fiber expansion (AFEX) pretreatment
-
Chundawat SPS, Chang L, Gunawan C et al (2012) Guayule as a feed stock for lignocellulosic biorefineries using ammonia fiber expansion (AFEX) pretreatment. Ind Crops Prod 37: 486-492.
-
(2012)
Ind Crops Prod
, vol.37
, pp. 486-492
-
-
Chundawat, S.P.S.1
Chang, L.2
Gunawan, C.3
-
10
-
-
0345549707
-
An x-ray diffraction study of the action of liquid ammonia on cellulose and its derivatives
-
Clark GL, Parker EA (1937) An x-ray diffraction study of the action of liquid ammonia on cellulose and its derivatives. J Phys Chem 41: 777-786.
-
(1937)
J Phys Chem
, vol.41
, pp. 777-786
-
-
Clark, G.L.1
Parker, E.A.2
-
12
-
-
33846823909
-
Particle mesh Ewald: an N·log(N) method for Ewald sums in large systems
-
Darden T, York D, Pedersen L (1993) Particle mesh Ewald: an N·log(N) method for Ewald sums in large systems. J Chem Phys 98: 10089-10092.
-
(1993)
J Chem Phys
, vol.98
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
13
-
-
84881021852
-
-
US Patent No. 3, 642, 042, Issued Feb 15
-
Davidson RW, Schuerch C (1972) Method of forming wood. US Patent No. 3, 642, 042, Issued Feb 15, 1972.
-
(1972)
Method of Forming Wood
-
-
Davidson, R.W.1
Schuerch, C.2
-
14
-
-
33947447136
-
X-ray studies of reactions of cellulose in non-aqueous systems. II. Interaction of cellulose and primary amines
-
Davis WE, Barry AJ, Peterson FC, King AJ (1943) X-ray studies of reactions of cellulose in non-aqueous systems. II. Interaction of cellulose and primary amines. J Am Chem Soc 65: 1294-1299.
-
(1943)
J Am Chem Soc
, vol.65
, pp. 1294-1299
-
-
Davis, W.E.1
Barry, A.J.2
Peterson, F.C.3
King, A.J.4
-
15
-
-
84919069283
-
Bioconversion of wheat straw to ethanol: chemical modification, enzymatic hydrolysis, and fermentation
-
Detroy RW, Lindenfelser LA, Sommer S, Orton WL (1981) Bioconversion of wheat straw to ethanol: chemical modification, enzymatic hydrolysis, and fermentation. Biotechnol Bioeng 23: 1527-1536.
-
(1981)
Biotechnol Bioeng
, vol.23
, pp. 1527-1536
-
-
Detroy, R.W.1
Lindenfelser, L.A.2
Sommer, S.3
Orton, W.L.4
-
16
-
-
13244281317
-
Coot: model-building tools for molecular graphics
-
Emsley P, Cowtan K (2004) Coot: model-building tools for molecular graphics. Acta Crystallogr Sect D 60: 2126-2132.
-
(2004)
Acta Crystallogr Sect D
, vol.60
, pp. 2126-2132
-
-
Emsley, P.1
Cowtan, K.2
-
17
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LG (1995) A smooth particle mesh Ewald method. J Chem Phys 103: 8577.
-
(1995)
J Chem Phys
, vol.103
, pp. 8577
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
18
-
-
36449007836
-
Constant pressure molecular dynamics simulation: the Langevin piston method
-
Feller SE, Zhang Y, Pastor RW, Brooks BR (1995) Constant pressure molecular dynamics simulation: the Langevin piston method. J Chem Phys 103: 4613-4621.
-
(1995)
J Chem Phys
, vol.103
, pp. 4613-4621
-
-
Feller, S.E.1
Zhang, Y.2
Pastor, R.W.3
Brooks, B.R.4
-
19
-
-
0004209464
-
-
Gaussian 09, Revision A. 1, Wallingford CT
-
Gaussian 09, Revision A. 1, Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Scalmani G, Barone V, Mennucci B, Petersson GA, Nakatsuji H, Caricato M, Li X, Hratchian HP, Izmaylov AF, Bloino J, Zheng G, Sonnenberg JL, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Vreven T, Montgomery Jr JA, Peralta JE, Ogliaro F, Bearpark M, Heyd JJ, Brothers E, Kudin KN, Staroverov VN, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS, Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P, Dannenberg JJ, Dapprich S, Daniels AD, Farkas O, Foresman JB, Ortiz JV, Cioslowski J, Fox DJ (2009) Gaussian, Inc., Wallingford CT.
-
(2009)
Gaussian, Inc
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, O.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
20
-
-
55349124614
-
Additive empirical force field for hexopyranose monosaccharides
-
Guvench O, Greene SN, Kamath G et al (2008) Additive empirical force field for hexopyranose monosaccharides. J Comput Chem 29: 2543-2564.
-
(2008)
J Comput Chem
, vol.29
, pp. 2543-2564
-
-
Guvench, O.1
Greene, S.N.2
Kamath, G.3
-
21
-
-
73349137333
-
CHARMM additive all-atom force field for glycosidic linkages between hexopyranoses
-
Guvench O, Hatcher E, Venable RM et al (2009) CHARMM additive all-atom force field for glycosidic linkages between hexopyranoses. J Chem Theory Comput 5: 2353-2370.
-
(2009)
J Chem Theory Comput
, vol.5
, pp. 2353-2370
-
-
Guvench, O.1
Hatcher, E.2
Venable, R.M.3
-
23
-
-
33947228342
-
I results in efficient hydrolysis by cellobiohydrolase
-
I results in efficient hydrolysis by cellobiohydrolase. FEBS J 274: 1785-1792.
-
(2007)
FEBS J
, vol.274
, pp. 1785-1792
-
-
Igarashi, K.1
Wada, M.2
Samejima, M.3
-
24
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen WL, Chandrasekhar J, Madura JD et al (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79: 926-935.
-
(1983)
J Chem Phys
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
-
25
-
-
0003808277
-
-
In: Comprehensive cellulose chemistry; Wiley-VCH, New York Vol
-
Klemm D, Philipp B, Heinze U, Wagenknecht W (1998) In: Comprehensive cellulose chemistry; Wiley-VCH, New York Vol I, 152-154.
-
(1998)
, vol.1
, pp. 152-154
-
-
Klemm, D.1
Philipp, B.2
Heinze, U.3
Wagenknecht, W.4
-
26
-
-
0141815154
-
Reaction of cellulose with amines as a prospective means of activating cellulose and increasing its reactivity in the synthesis of various derivatives
-
Klenkova NI (1967) Reaction of cellulose with amines as a prospective means of activating cellulose and increasing its reactivity in the synthesis of various derivatives. Zh Prikl Khim 40: 2191-2208.
-
(1967)
Zh Prikl Khim
, vol.40
, pp. 2191-2208
-
-
Klenkova, N.I.1
-
27
-
-
2542632127
-
Collecting and processing neutron fibre diffraction data from a single-crystal diffractometer
-
Langan P, Denny RC, Mahendrasingam A, Mason SA, Jaber A (1996) Collecting and processing neutron fibre diffraction data from a single-crystal diffractometer. J Appl Crystallogr 29: 383-389.
-
(1996)
J Appl Crystallogr
, vol.29
, pp. 383-389
-
-
Langan, P.1
Denny, R.C.2
Mahendrasingam, A.3
Mason, S.A.4
Jaber, A.5
-
28
-
-
0034884276
-
X-ray structure of cellulose II at 1 Å resolution
-
Langan P, Nishiyama Y, Chanzy H (2001) X-ray structure of cellulose II at 1 Å resolution. Biomacromolecules 2: 410-416.
-
(2001)
Biomacromolecules
, vol.2
, pp. 410-416
-
-
Langan, P.1
Nishiyama, Y.2
Chanzy, H.3
-
29
-
-
80053302925
-
Exploring new strategies for cellulosic biofuels production
-
Langan P, Gnanakaran S, Rector KD, Pawley N, Fox DT, Cho DW, Hammel KE (2011) Exploring new strategies for cellulosic biofuels production. Energy Environ Sci 4: 38203833.
-
(2011)
Energy Environ Sci
, vol.4
, pp. 38203833
-
-
Langan, P.1
Gnanakaran, S.2
Rector, K.D.3
Pawley, N.4
Fox, D.T.5
Cho, D.W.6
Hammel, K.E.7
-
30
-
-
84865212769
-
Neutron technologies for bioenergy research
-
Langan P, Evans BR, Foston M et al (2012) Neutron technologies for bioenergy research. Ind Biotechnol 8: 209-216.
-
(2012)
Ind Biotechnol
, vol.8
, pp. 209-216
-
-
Langan, P.1
Evans, B.R.2
Foston, M.3
-
31
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell Bashford D, Bellott et al (1998) All-atom empirical potential for molecular modeling and dynamics studies of proteins. J Phys Chem B 102: 3586-3616.
-
(1998)
J Phys Chem B
, vol.102
, pp. 3586-3616
-
-
MacKerell Bashford, D.1
Bellott2
-
32
-
-
36449003554
-
Constant pressure molecular dynamics algorithms
-
Martyna GJ, Tobias DJ, Klein ML (1994) Constant pressure molecular dynamics algorithms. J Chem Phys 101: 4177-4189.
-
(1994)
J Chem Phys
, vol.101
, pp. 4177-4189
-
-
Martyna, G.J.1
Tobias, D.J.2
Klein, M.L.3
-
33
-
-
0031556486
-
Cellulose microcrystal film of high uniaxial orientation
-
Nishiyama Y, Kuga S, Wada M, Okano T (1997) Cellulose microcrystal film of high uniaxial orientation. Macromolecules 30: 6395-6397.
-
(1997)
Macromolecules
, vol.30
, pp. 6395-6397
-
-
Nishiyama, Y.1
Kuga, S.2
Wada, M.3
Okano, T.4
-
37
-
-
83455225755
-
Insights into hydrogen-bonding and stacking interactions in cellulose
-
Parthasarathi R, Bellesia G, Chundawat SPS, Dale BE, Langan P, Gnanakaran S (2011) Insights into hydrogen-bonding and stacking interactions in cellulose. J Phys Chem A 115: 14191-14202.
-
(2011)
J Phys Chem A
, vol.115
, pp. 14191-14202
-
-
Parthasarathi, R.1
Bellesia, G.2
Chundawat, S.P.S.3
Dale, B.E.4
Langan, P.5
Gnanakaran, S.6
-
38
-
-
8644291537
-
Liquid ammonia-solvent combinations in wood plasticization: properties of treated wood
-
Pentoney RE (1966) Liquid ammonia-solvent combinations in wood plasticization: properties of treated wood. Ind. Engr. Chem. Prod. Res Devel 5: 105-110.
-
(1966)
Ind. Engr. Chem. Prod. Res Devel
, vol.5
, pp. 105-110
-
-
Pentoney, R.E.1
-
39
-
-
27344436659
-
Scalable molecular dynamics with NAMD
-
Phillips JC, Braun R, Wang W et al (2005) Scalable molecular dynamics with NAMD. J Comput Chem 26: 1781-1802.
-
(2005)
J Comput Chem
, vol.26
, pp. 1781-1802
-
-
Phillips, J.C.1
Braun, R.2
Wang, W.3
-
41
-
-
33646940952
-
Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
-
Ryckaert J-P, Ciccotti G, Berendsen HJ (1977) Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J Comput Phys 23: 327-341.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.-P.1
Ciccotti, G.2
Berendsen, H.J.3
-
42
-
-
84862513968
-
Water in crystalline fibers of dihydrate β-chitin results in unexpected absence of intramolecular hydrogen bonding
-
Sawada D, Nishiyama Y, Langan P, Forsyth VT, Kimura S, Wada M (2012) Water in crystalline fibers of dihydrate β-chitin results in unexpected absence of intramolecular hydrogen bonding. PLoS ONE 7: e39376.
-
(2012)
PLoS ONE
, vol.7
-
-
Sawada, D.1
Nishiyama, Y.2
Langan, P.3
Forsyth, V.T.4
Kimura, S.5
Wada, M.6
-
43
-
-
84870835575
-
The crystal structure of mono-ethylene diamine β-chitin from synchrotron X-ray fiber diffraction
-
Sawada D, Kimura S, Nishiyama Y, Langan P, Wada M (2013) The crystal structure of mono-ethylene diamine β-chitin from synchrotron X-ray fiber diffraction. Carbohydr Polym 92: 1737-1742.
-
(2013)
Carbohydr Polym
, vol.92
, pp. 1737-1742
-
-
Sawada, D.1
Kimura, S.2
Nishiyama, Y.3
Langan, P.4
Wada, M.5
-
46
-
-
0026136008
-
Combined infrared and electron diffraction study of the polymorphism of native celluloses
-
Sugiyama J, Persson J, Chanzy H (1991a) Combined infrared and electron diffraction study of the polymorphism of native celluloses. Macromolecules 24: 2461-2466.
-
(1991)
Macromolecules
, vol.24
, pp. 2461-2466
-
-
Sugiyama, J.1
Persson, J.2
Chanzy, H.3
-
47
-
-
0026419840
-
Electron diffraction study on the two crystalline phases occurring in native cellulose from an algal cell wall
-
Sugiyama J, Vuong R, Chanzy H (1991b) Electron diffraction study on the two crystalline phases occurring in native cellulose from an algal cell wall. Macromolecules 24: 4168-4175.
-
(1991)
Macromolecules
, vol.24
, pp. 4168-4175
-
-
Sugiyama, J.1
Vuong, R.2
Chanzy, H.3
-
48
-
-
23844533296
-
Optimization of the ammonia fiber explosion (AFEX) treatment parameters for enzymatic hydrolysis of corn stover
-
Teymouri F, Laureano-Perez L, Alizadeh H, Dale BE (2005) Optimization of the ammonia fiber explosion (AFEX) treatment parameters for enzymatic hydrolysis of corn stover. Biosour Technol 96: 2014.
-
(2005)
Biosour Technol
, vol.96
, pp. 2014
-
-
Teymouri, F.1
Laureano-Perez, L.2
Alizadeh, H.3
Dale, B.E.4
-
49
-
-
0031253476
-
The treatment of oil palm empty fruit bunch fibre for subsequent use as substrate for cellulase production by Chaetomium globosum Kunze
-
Umikalsom MS, Ariff AB, Zulkifli HS, Tong CC, Hassan MA, Karim MIA (1997) The treatment of oil palm empty fruit bunch fibre for subsequent use as substrate for cellulase production by Chaetomium globosum Kunze. Bioresour Technol 62: 1-9.
-
(1997)
Bioresour Technol
, vol.62
, pp. 1-9
-
-
Umikalsom, M.S.1
Ariff, A.B.2
Zulkifli, H.S.3
Tong, C.C.4
Hassan, M.A.5
Karim, M.I.A.6
-
51
-
-
9744233080
-
I crystal structure and hydrogen bonding by synchrotron X-ray and neutron fiber diffraction
-
I crystal structure and hydrogen bonding by synchrotron X-ray and neutron fiber diffraction. Macromolecules 23: 8548-8555.
-
(2004)
Macromolecules
, vol.23
, pp. 8548-8555
-
-
Wada, M.1
Chanzy, H.2
Nishiyama, Y.3
Langan, P.4
-
53
-
-
55049129597
-
Structure and thermal behavior of a cellulose I-ethylene diamine complex
-
Wada M, Kwon GJ, Nishiyama Y (2008) Structure and thermal behavior of a cellulose I-ethylene diamine complex. Biomacromolecules 9: 2898-2904.
-
(2008)
Biomacromolecules
, vol.9
, pp. 2898-2904
-
-
Wada, M.1
Kwon, G.J.2
Nishiyama, Y.3
-
54
-
-
72849150975
-
The structure of the complex of cellulose I with ethylene diamine by X-ray crystallography and crosspolarization/magic angle apinning 13C nuclear magnetic resonance
-
Wada M, Heux L, Nishiyama Y, Langan P (2009) The structure of the complex of cellulose I with ethylene diamine by X-ray crystallography and crosspolarization/magic angle apinning 13C nuclear magnetic resonance. Cellulose 16: 943-957.
-
(2009)
Cellulose
, vol.16
, pp. 943-957
-
-
Wada, M.1
Heux, L.2
Nishiyama, Y.3
Langan, P.4
-
55
-
-
79952538362
-
Neutron crystallographic and molecular dynamics studies of the structure of ammonia-cellulose I: rearrangement of hydrogen bonding during the treatment of cellulose with ammonia
-
Wada M, Nishiyama Y, Bellesia G, Forsyth VT, Gnanakaran S, Langan P (2011) Neutron crystallographic and molecular dynamics studies of the structure of ammonia-cellulose I: rearrangement of hydrogen bonding during the treatment of cellulose with ammonia. Cellulose 18: 191-206.
-
(2011)
Cellulose
, vol.18
, pp. 191-206
-
-
Wada, M.1
Nishiyama, Y.2
Bellesia, G.3
Forsyth, V.T.4
Gnanakaran, S.5
Langan, P.6
-
56
-
-
34248362790
-
The role of salt on cellulose dissolution in ethylene diamine/salt solvent systems
-
Xiao M, Frey MW (2007) The role of salt on cellulose dissolution in ethylene diamine/salt solvent systems. Cellulose 14: 225-234.
-
(2007)
Cellulose
, vol.14
, pp. 225-234
-
-
Xiao, M.1
Frey, M.W.2
-
57
-
-
33744954528
-
The liquid ammonia treatment of cotton fibers: comparison and combination with mercerization using a practical unit
-
Yanai Y, Shimizu Y (2006) The liquid ammonia treatment of cotton fibers: comparison and combination with mercerization using a practical unit. Sen'i Gakkaishi 62: 100-105.
-
(2006)
Sen'i Gakkaishi
, vol.62
, pp. 100-105
-
-
Yanai, Y.1
Shimizu, Y.2
|