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Volumn 20, Issue 6, 2013, Pages 2695-2702

Sodium chloride interaction with solvated and crystalline cellulose: Sodium ion affects the cellotetraose molecule and the cellulose fibril in aqueous solution

Author keywords

Biomass; Conformations; Molecular dynamics; Sodium chloride

Indexed keywords

BIOMASS CONVERSION PROCESS; CELLULOSE FIBRILS; CRYSTALLINE CELLULOSE; HYDROGEN BONDING NETWORK; MICROSCOPIC LEVELS; NATURAL COMPONENTS; REPLICA-EXCHANGE MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL EFFECT;

EID: 84887954016     PISSN: 09690239     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10570-013-0063-8     Document Type: Article
Times cited : (16)

References (29)
  • 1
    • 61549102795 scopus 로고    scopus 로고
    • What determines the structure and stability of kffe monomers, dimers and protofibrils
    • Bellesia G, Shea JE (2009) What determines the structure and stability of kffe monomers, dimers and protofibrils. Biophys J 96: 875-886.
    • (2009) Biophys J , vol.96 , pp. 875-886
    • Bellesia, G.1    Shea, J.E.2
  • 2
    • 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. Journal of Physical Chemistry B 115(32): 9782-9788.
    • (2011) J Phys Chem B , vol.115 , Issue.32 , pp. 9782-9788
    • Bellesia, G.1    Chundawat, S.P.S.2    Langan, P.3    Dale, B.E.4    Gnanakaran, S.5
  • 3
    • 35948987540 scopus 로고    scopus 로고
    • Parameters of monovalent ions in the amber99 forcefield: assessment of inaccuracies and proposed improvements
    • Chen AA, Pappu RV (2007) Parameters of monovalent ions in the amber99 forcefield: assessment of inaccuracies and proposed improvements. J Phys Chem B 111(41): 11884-11887.
    • (2007) J Phys Chem B , vol.111 , Issue.41 , pp. 11884-11887
    • Chen, A.A.1    Pappu, R.V.2
  • 5
    • 33846823909 scopus 로고
    • Particle mesh ewald: an nlog(n) method for ewald sums in large systems
    • Darden T, York D, Pedersen L (1993) Particle mesh ewald: an nlog(n) method for ewald sums in large systems. J Chem Phys 98(12): 10089.
    • (1993) J Chem Phys , vol.98 , Issue.12 , pp. 10089
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 6
    • 0035497734 scopus 로고    scopus 로고
    • Catalysed and uncatalysed steam gasification of eucalyptus char: influence of variables and kinetic study
    • Encinar JM, González JF, Rodríguez JJ, Ramiro MJ (2001) Catalysed and uncatalysed steam gasification of eucalyptus char: influence of variables and kinetic study. Fuel 80: 2025-2036.
    • (2001) Fuel , vol.80 , pp. 2025-2036
    • Encinar, J.M.1    González, J.F.2    Rodríguez, J.J.3    Ramiro, M.J.4
  • 7
    • 36449007836 scopus 로고
    • Constant pressure molecular dynamics simulation: the langevin piston method
    • Feller S, Zhang Y, Pastor R, Brooks B (1995) Constant pressure molecular dynamics simulation: the langevin piston method. J Chem Phys 103(11): 4613.
    • (1995) J Chem Phys , vol.103 , Issue.11 , pp. 4613
    • Feller, S.1    Zhang, Y.2    Pastor, R.3    Brooks, B.4
  • 8
    • 0004016501 scopus 로고
    • Comparison of simple potential functions for simulating liquid water
    • D M.J., L K.M
    • Jorgensen WL, Chandrasekhar J, D MJ, Impey RW, L KM (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    Impey, R.W.3
  • 11
    • 36449003554 scopus 로고
    • Constant pressure molecular dynamics algorithms
    • L K.M
    • Martyna GJ, Tobias DJ, L KM (1994) Constant pressure molecular dynamics algorithms. J Chem Phys 101(5): 4177.
    • (1994) J Chem Phys , vol.101 , Issue.5 , pp. 4177
    • Martyna, G.J.1    Tobias, D.J.2
  • 14
    • 33745684311 scopus 로고    scopus 로고
    • Pyrolysis of wood/biomass for bio-oil: a critical review
    • doi:10.1021/ef0502397
    • Mohan D, Pittman CU Jr, Steele PH (2006) Pyrolysis of wood/biomass for bio-oil: a critical review. Energy Fuels 20(3): 848-889. doi: 10. 1021/ef0502397.
    • (2006) Energy Fuels , vol.20 , Issue.3 , pp. 848-889
    • Mohan, D.1    Pittman Jr., C.U.2    Steele, P.H.3
  • 15
    • 0037036704 scopus 로고    scopus 로고
    • Crystal structure and hydrogen-bonding system in cellulose iβ from synchrotron X-ray and neutron fiber diffraction
    • Nishiyama Y, Langan P, Chanzy H (2002) Crystal structure and hydrogen-bonding system in cellulose iβ from synchrotron X-ray and neutron fiber diffraction. J Am Chem Soc 124(31): 9074-9082.
    • (2002) J Am Chem Soc , vol.124 , Issue.31 , pp. 9074-9082
    • Nishiyama, Y.1    Langan, P.2    Chanzy, H.3
  • 16
    • 84867026835 scopus 로고    scopus 로고
    • Structural evidence for inter-residue hydrogen bonding observed for cellobiose in aqueous solution
    • O'Dell WB, Baker DC, McLain SE (2012) Structural evidence for inter-residue hydrogen bonding observed for cellobiose in aqueous solution. PLoS ONE 7(10): e45311.
    • (2012) PLoS ONE , vol.7 , Issue.10
    • O'Dell, W.B.1    Baker, D.C.2    McLain, S.E.3
  • 17
    • 71749107072 scopus 로고    scopus 로고
    • Product distribution from fast pyrolysis of glucose-based carbohydrates
    • doi:10.1016/j.jaap.2009.08.007
    • Patwardhan PR, Satrio JA, Brown RC, Shanks BH (2009) Product distribution from fast pyrolysis of glucose-based carbohydrates. J Anal Appl Pyrolysis 86(2): 323-330. doi: 10. 1016/j. jaap. 2009. 08. 007.
    • (2009) J Anal Appl Pyrolysis , vol.86 , Issue.2 , pp. 323-330
    • Patwardhan, P.R.1    Satrio, J.A.2    Brown, R.C.3    Shanks, B.H.4
  • 18
    • 77649342687 scopus 로고    scopus 로고
    • Influence of inorganic salts on the primary pyrolysis products of cellulose
    • Patwardhan PR, Satrio JA, Brown RC, Shanks BH (2010) Influence of inorganic salts on the primary pyrolysis products of cellulose. Bioresour Technol 101: 4646-4655.
    • (2010) Bioresour Technol , vol.101 , pp. 4646-4655
    • Patwardhan, P.R.1    Satrio, J.A.2    Brown, R.C.3    Shanks, B.H.4
  • 19
    • 79956086913 scopus 로고    scopus 로고
    • Product distribution from the fast pyrolysis of hemicellulose
    • doi: 10. 1002/cssc. 201000425
    • Patwardhan PR, Brown RC, Shanks BH (2011) Product distribution from the fast pyrolysis of hemicellulose. ChemSusChem 4(5): 636-643. doi: 10. 1002/cssc. 201000425, http://www. ncbi. nlm. nih. gov/pubmed/21548106.
    • (2011) ChemSusChem , vol.4 , Issue.5 , pp. 636-643
    • Patwardhan, P.R.1    Brown, R.C.2    Shanks, B.H.3
  • 21
    • 80055016082 scopus 로고    scopus 로고
    • Effect of NaCl on the conversion of cellulose to glucose and levulinic acid
    • Potvin J, Sorlien E, Hegner J, DeBoef B, Lucht BL (2011) Effect of NaCl on the conversion of cellulose to glucose and levulinic acid. Tetrahedron Lett 52:.
    • (2011) Tetrahedron Lett , vol.52 , pp. 5891-5893
    • Potvin, J.1    Sorlien, E.2    Hegner, J.3    DeBoef, B.4    Lucht, B.L.5
  • 22
    • 33646940952 scopus 로고
    • Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
    • Ryckaert J, Ciccotti G, Berendsen H (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.1    Ciccotti, G.2    Berendsen, H.3
  • 23
    • 0034831231 scopus 로고    scopus 로고
    • Pretreatment of poplar wood for fast pyrolysis: rate of cation removal
    • doi:10.1016/S0165-2370(00)00108-X
    • Scott DS, Paterson L, Piskorz J, Radlein D (2001) Pretreatment of poplar wood for fast pyrolysis: rate of cation removal. J Anal Appl Pyrolysis 57(2): 169-176. doi: 10. 1016/S0165-2370(00)00108-X.
    • (2001) J Anal Appl Pyrolysis , vol.57 , Issue.2 , pp. 169-176
    • Scott, D.S.1    Paterson, L.2    Piskorz, J.3    Radlein, D.4
  • 24
    • 70350044640 scopus 로고    scopus 로고
    • Conformational flexibility of soluble cellulose oligomers: chain length and temperature dependence
    • doi: 10. 1021/ja9034158
    • Shen T, Langan P, French AD, Johnson GP, Gnanakaran S (2009) Conformational flexibility of soluble cellulose oligomers: chain length and temperature dependence. J Am Chem Soc 131(41): 14786-14794. doi: 10. 1021/ja9034158.
    • (2009) J Am Chem Soc , vol.131 , Issue.41 , pp. 14786-14794
    • Shen, T.1    Langan, P.2    French, A.D.3    Johnson, G.P.4    Gnanakaran, S.5
  • 25
    • 0001616080 scopus 로고    scopus 로고
    • Replica exchange molecular dynamics method for protein folding
    • Sugita Y, Okamoto Y (1999) Replica exchange molecular dynamics method for protein folding. Chem Phys Lett 314: 141-151.
    • (1999) Chem Phys Lett , vol.314 , pp. 141-151
    • Sugita, Y.1    Okamoto, Y.2
  • 26
    • 35949020425 scopus 로고
    • Replica monte carlo simulation of spin glasses
    • Swensen R, Wang J (1986) Replica monte carlo simulation of spin glasses. Phys Rev Lett 57: 2607-2609.
    • (1986) Phys Rev Lett , vol.57 , pp. 2607-2609
    • Swensen, R.1    Wang, J.2
  • 28
    • 9744233080 scopus 로고    scopus 로고
    • Cellulose III(I) crystal structure and hydrogen bonding by synchrotron X-ray and neutron fiber diffracion
    • Wada M, Chanzy H, Nishiyama Y, Langan P (2004) Cellulose III(I) crystal structure and hydrogen bonding by synchrotron X-ray and neutron fiber diffracion. Macromolecules 37: 8548-8555.
    • (2004) Macromolecules , vol.37 , pp. 8548-8555
    • Wada, M.1    Chanzy, H.2    Nishiyama, Y.3    Langan, P.4
  • 29
    • 0001398008 scopus 로고    scopus 로고
    • How well does a restrained electrostatic potential (RESP) model perform in calculating energies of organic and biological molecules
    • Wang J, Cieplak P, Kollman P (2000) How well does a restrained electrostatic potential (RESP) model perform in calculating energies of organic and biological molecules. J Comput Chem 21(12): 1049-1074.
    • (2000) J Comput Chem , vol.21 , Issue.12 , pp. 1049-1074
    • Wang, J.1    Cieplak, P.2    Kollman, P.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.