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Volumn 20, Issue 4, 2013, Pages 1563-1571

Structure and dynamics of a complex of cellulose with EDA: Insights into the action of amines on cellulose

Author keywords

Cellulose amino complex; Computational simulation; Crystal transition; Ethylene diamine; Hydrogen bond; Neutron diffraction

Indexed keywords

AMINO COMPLEXES; COMPUTATIONAL SIMULATION; CRYSTAL TRANSITION; ETHYLENE DIAMINE; HYDROGEN-BONDING PATTERNS; HYDROXYMETHYL GROUPS; MOLECULAR DYNAMICS CALCULATION; STRUCTURE AND DYNAMICS;

EID: 84881024298     PISSN: 09690239     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10570-013-9974-7     Document Type: Article
Times cited : (19)

References (57)
  • 1
    • 79960880477 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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
  • 14
    • 33947447136 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 18
    • 36449007836 scopus 로고
    • 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
  • 20
    • 55349124614 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 30
    • 84865212769 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 34
    • 0037036704 scopus 로고    scopus 로고
    • β from synchrotron X-ray and neutron fiber diffraction
    • β from synchrotron X-ray and neutron fiber diffraction. J Am Chem Soc 124: 9074-9082.
    • (2002) J Am Chem Soc , vol.124 , pp. 9074-9082
    • Nishiyama, Y.1    Langan, P.2    Chanzy, H.3
  • 38
    • 8644291537 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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


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