Molecular modeling of the structural and dynamical properties of secondary plant cell walls: Influence of lignin chemistry

Journal of Physical Chemistry B

Volumn 116, Issue 14, 2012, Pages 4163-4174

  Charlier, Landry ^a   Mazeau, Karim ^a  

^a CENTRE DE RECHERCHES SUR LES MACROMOLÉCULES VÉGÉTALES CERMAV CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOHYDRATES; CELLULOSE; MOLECULAR DYNAMICS; MOLECULES; PLANT CELL CULTURE;

CELLULOSE SURFACES; CRYSTALLINE CELLULOSE; DENSITY PROFILE; DYNAMICAL PROPERTIES; GUAIACYL; INTERLAYER SPACES; LIGNIN COMPONENTS; OVERALL-MODEL; PHENYL RINGS; PLANT CELL WALL; VOID DISTRIBUTIONS; VOID VOLUME; WATER MOLECULE;

LIGNIN;

EID: 84859757801     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp300395k     Document Type: Article

References (64)

1. Naik, S. N.; Goud, V. V.; Rout, P. K.; Dalai, A. K. Renewable Sustainable Energy Rev. 2010, 14, 578-597
2. Pauly, M.; Keegstra, K. Plant J. 2008, 54, 559-568
3. Ruel, K.; Barnoud, F.; Goring, D. A. I. Wood Sci. Technol. 1978, 12, 287-291
4. Bidlack, J.; Malone, M.; Benson, R. Proc. Okla. Acad. Sci. 1992, 72, 51-62
5. Hill, S. J.; Franich, R. A.; Callaghan, P. T.; Newman, R. H. N. Z. J. For. Sci. 2009, 39, 251-257
6. Terashima, N.; Kitano, K.; Kojima, M.; Yoshida, M.; Yamamoto, H.; Westermark, U. J. Wood Sci. 2009, 55, 409-416
7. Salmén, L.; Burgert, I. Holzforschung 2009, 63, 121-129
8. Lawoko, M.; Henriksson, G.; Gellerstedt, G. Holzforschung 2006, 60, 162-165
9. Boerjan, W.; Ralph, J.; Baucher, M. Annu. Rev. Plant Biol. 2003, 54, 519-546
10. Davison, B. H.; Drescher, S. R.; Tuskan, G. A.; Davis, M. F.; Nghiem, N. P. Appl. Biochem. Biotechnol. 2006, 129, 427-435
11. Studer, M.; DeMartini, J. D.; Davis, M. F.; Sykes, R. W.; Davison, B.; Keller, M.; Tuskan, G. A.; Wyman, C. E. Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 6300-6305
12. Bernard-Vailhé, M.-A.; Cornu, A.; Robert, D.; Maillot, M.-P.; Besle, J.-M. J. Agric. Food Chem. 1996, 44, 1164-1169
13. Baucher, M.; Bernard-Vailhé, M.-A.; Chabberts, B.; Besle, J.-M.; Opsomer, C.; Van Montagu, M.; Botterman, J. Plant Mol. Biol. 1999, 39, 437-447
14. Goujon, T.; Ferret, V.; Mila, I.; Pollet, B.; Ruel, K.; Burlat, V.; Joseleau, J.-P.; Barrière, Y.; Lapierre, C.; Jouanin, L. Planta 2003, 217, 218-228
15. Méchin, V.; Argillier, O.; Menanteau, V.; Barrière, Y.; Mila, I.; Pollet, B.; Lapierre, C. J. Sci. Food Agric. 2000, 80, 574-580
16. Zhang, Y.; Culhaoglu, T.; Pollet, B.; Melin, C.; Denoue, D.; Barrière, Y.; Baumberger, S.; Méchin, V. J. Agric. Food Chem. 2011, 59, 10129-10135
17. Simon, J. P.; Eriksson, K-E. L. J. Mol. Struct. 1996, 384, 1-7
18. Petridis, L.; Smith, J. C. J. Comput. Chem. 2009, 30, 457-467
19. Besombes, S.; Robert, D.; Utille, J.-P.; Taravel, F. R.; Mazeau, K. J. Agric. Food Chem. 2003, 51, 34-42
20. Besombes, S.; Robert, D.; Utille, J.-P.; Taravel, F. R.; Mazeau, K. Holzforschung 2003, 57, 266-274
21. Langer, V.; Lundquist, K.; Parkås, J. BioResources 2007, 2, 590-597
22. Lundquist, K.; Langer, V; Parkås, J. BioResources 2009, 4, 529-536
23. Besombes, S.; Mazeau, K. Biopolymers 2004, 73, 301-315
24. Brunow, G.; Karhunen, P.; Lundquist, K.; Olson, S.; Stomberg, R. J. Chem. Crystallogr. 1995, 25, 1-10
25. Graver, T. M.; Maa, K. J.; Marat, K. Can. J. Chem. 1996, 74, 173-184
26. Besombes, S.; Utille, J.-P.; Mazeau, K.; Robert, D.; Taravel, F. R. Magn. Reson. Chem. 2004, 42, 337-347
27. Petridis, L.; Schulz, R.; Smith, J. C. J. Am. Chem. Soc. 2011, 133, 20277-20287
28. Houtman, C. J.; Atalla, R. H. J. Plant Physiol. 1995, 107, 977-984
29. Micic, M.; Radotic, K.; Jeremic, M.; Leblanc, R. M. Macromol. Biosci. 2003, 3, 100-106
30. Besombes, S.; Mazeau, K. Plant Physiol. Biochem. 2005, 43, 277-286
31. Besombes, S.; Mazeau, K. Plant Physiol. Biochem. 2005, 43, 299-308
32. Atalla, R. H.; Agarwall, U. P. Science 1985, 227, 636-638
33. Vu, T.; Chaffee, A.; Yarovsky, I. Mol. Simulat. 2002, 28, 981-991
34. Zhang, X.; Yang, W.; Blasiak, W. Energ. Fuel 2011, 25, 4786-4795
35. Faulon, J.-L.; Carlson, G. A.; Hatcher, P. G. Org. Geochem. 1994, 21, 1169-1179
36. Mazeau, K. Carbohydr. Polym. 2011, 84, 524-532
37. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. J. Chem. Theory Comput. 2008, 4, 435-447
38. Nishiyama, Y.; Langan, P.; Chanzy, H. J. Am. Chem. Soc. 2002, 124, 9074-9082
39. Mazeau, K. Cellulose 2005, 12, 339-349
40. Fauré, R.; Courtin, C. M.; Delcour, J. A.; Dumon, C.; Faulds, C. B.; Fincher, G. B.; Fort, S.; Fry, S. C.; Halila, S.; Kabel, M. A.; Pouvreau, L.; Quemener, B.; Rivet, A.; Saulnier, L.; Schols, H. A.; Driguez, H.; O'Donohue, M. J. Aust. J. Chem. 2009, 62, 533-537
41. Mazeau, K.; Charlier, L. Cellulose 2012, 19, 337-349
42. Mazeau, K.; Moine, C.; Krausz, P.; Gloagen, V. Carbohydr. Res. 2005, 340, 2752-2760
43. Ralph, J.; Brunow, G.; Boerjan, W. Lignins. In Encyclopedia of Life Sciences; John Wiley & Sons Ltd: Chichester, U.K., 2007; http://www.els.net [doi: 10.1002/9780470015902.a0020104 ]
44. Henao, L. J.; Mazeau, K. Mater. Sci. Eng. C 2009, 29, 2326-2332
45. Berendsen, H. J. C.; Postma, J. P. M; Van Gunsteren, W. F.; Hermans, J. Jerusalem Symp. Quantum Chem. Biochem. 1981, 14, 331-342
46. Oostenbrink, C.; Villa, A.; Mark, A. E.; Van Gunsteren, W. F. J. Comput. Chem. 2004, 25, 1656-1676
47. Berendsen, H. J. C.; Postma, J. P. M; Van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684-3690
48. Bussi, G.; Donadio, D.; Parrinello, M. J. Chem. Phys. 2007, 126, 01410/1-014101/7
49. Darden, T.; York, D.; Pedersen, L. J. Chem. Phys. 1993, 98, 10089-10092
50. Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577-8593
51. Chauve, G.; Heux, L.; Arouni, R.; Mazeau, K. Biomacromolecules 2005, 6, 2025-2031
52. Åkerholm, M.; Salmén, L. Holzforschung 2003, 57, 459-465
53. Jakob, H. F.; Tschegg, S. E.; Fratzl, P. Macromolecules 1996, 29, 8435-8440
54. Larsson, P. T.; Hult, E.-L.; Wickholm, K.; Pettersson, E.; Iversen, T. Solid State Nucl. Magn. Reson. 1999, 15, 31-40
55. Larsson, P. T. In Hemicelluloses: Science and Technology; Gatenholm, P.,; Tenkanen, M., Eds.; ACS Symposium Series; American Chemical Society: Washington, DC, 2002; Vol. 864, pp 254-268.
56. Bergenstråhle, M.; Wohlert, J.; Larsson, P. T.; Mazeau, K.; Berglund, L. A. J. Phys. Chem. B 2008, 112, 2590-2595
57. Marchessault, R. H.; Liang, C. Y. J. Polym. Sci. 1962, 59, 357-378
58. Stevanic, J. S.; Salmén, L. Holzforschung 2009, 63, 497-503
59. Olsson, A.-M.; Bjurhager, I.; Gerber, L.; Sundberg, B.; Salmén, L. Planta 2011, 233, 1277-1286
60. Simonović, J.; Stevanic, J.; Djikanović, D.; Salmén, L.; K. Radotić, K. Cellulose 2011, 18, 1433-1440
61. Tokoh, C.; Takabe, K.; Sugiyama, J.; Fujita, M. Cellulose 2002, 9, 351-360
62. Ogawa, K.; Yui, T.; Mizuno, T. Agric. Biol. Chem. 1991, 55, 2105-2111
63. Millane, R. P.; Hendrixson, T. L. Carbohydr. Polym. 1994, 25, 245-251
64. Nieduszynski, I.; Marchessault, R. H. Nature 1971, 232, 46-47