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International Journal of Carbohydrate Chemistry
Volume 2009 (2009), Article ID 307695, 8 pages
http://dx.doi.org/10.1155/2009/307695
Research Article

On the Conformational Properties of Amylose and Cellulose Oligomers in Solution

Laboratory of Physical Chemistry, Swiss Federal Institute of Technology Zürich, ETH, 8093 Zürich, Switzerland

Received 23 October 2008; Revised 10 February 2009; Accepted 1 April 2009

Academic Editor: Robert J. Woods

Copyright © 2009 Moritz Winger et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. A. Buléon, P. Colonna, V. Planchot, and S. Ball, “Starch granules: structure and biosynthesis,” International Journal of Biological Macromolecules, vol. 23, no. 2, pp. 85–112, 1998. View at Publisher · View at Google Scholar
  2. G. Rappenecker and P. Zugenmaier, “Detailed refinement of the crystal structure of Vh-amylose,” Carbohydrate Research, vol. 89, no. 1, pp. 11–19, 1981. View at Publisher · View at Google Scholar
  3. M. C. Godet, H. Bizot, and A. Buléon, “Crystallization of amylose-fatty acid complexes prepared with different amylose chain lengths,” Carbohydrate Polymers, vol. 27, no. 1, pp. 47–52, 1995. View at Publisher · View at Google Scholar
  4. H. Saitô, J. Yamada, T. Yukumoto, H. Yajima, and R. Endo, “Conformational stability of V-amyloses and their hydration induced conversion to B-type form as studied by high-resolution solid-state C13 NMR-spectroscopy,” Bulletin of the Chemical Society of Japan, vol. 64, no. 12, pp. 3528–3537, 1991. View at Publisher · View at Google Scholar
  5. A. Imberty, A. Buléon, V. Tran, and S. Pérez, “Recent advances in knowledge of starch structure,” Starch-Stärke, vol. 43, no. 10, pp. 375–384, 1991. View at Publisher · View at Google Scholar
  6. M. B. Cardoso, J.-L. Putaux, Y. Nishiyama, et al., “Single crystals of V-amylose complexed with α-naphthol,” Biomacromolecules, vol. 8, no. 4, pp. 1319–1326, 2007. View at Publisher · View at Google Scholar
  7. A. C. O'Sullivan, “Cellulose: the structure slowly unravels,” Cellulose, vol. 4, no. 3, pp. 173–207, 1997. View at Publisher · View at Google Scholar
  8. P. Zugenmaier, “Conformation and packing of various crystalline cellulose fibers,” Progress in Polymer Science, vol. 26, no. 9, pp. 1341–1417, 2001. View at Publisher · View at Google Scholar
  9. Y. Nishiyama, H. Chanzy, M. Wada, et al., “Synchrotron X-ray and neutron fiber diffraction studies of cellulose polymorphs,” Advances in X-Ray Analysis, vol. 45, pp. 385–390, 2002.
  10. J. F. Robyt, Essentials of Carbohydrate Chemistry, Springer, New York, NY, USA, 1998.
  11. F. Eisenhaber and W. Schulz, “Monte Carlo simulation of the hydration shell of double-helical amylose: a left-handed antiparallel double helix fits best into liquid water structure,” Biopolymers, vol. 32, no. 12, pp. 1643–1664, 1992. View at Publisher · View at Google Scholar
  12. H. Yu, M. Amann, T. Hansson, J. Köhler, G. Wich, and W. F. van Gunsteren, “Effect of methylation on the stability and solvation free energy of amylose and cellulose fragments: a molecular dynamics study,” Carbohydrate Research, vol. 339, no. 10, pp. 1697–1709, 2004. View at Publisher · View at Google Scholar
  13. W. F. van Gunsteren, S. R. Billeter, A. A. Eising, et al., Biomolecular Simulation: The GROMOS96 Manual and User Guide, Verlag der Fachvereine, Zürich, Switzerland, 1996.
  14. W. R. P. Scott, P. H. Hünenberger, I. G. Tironi, et al., “The GROMOS biomolecular simulation program package,” The Journal of Physical Chemistry A, vol. 103, no. 19, pp. 3596–3607, 1999. View at Publisher · View at Google Scholar
  15. M. Christen, P. H. Hünenberger, D. Bakowies, et al., “The GROMOS software for biomolecular simulation: GROMOS05,” Journal of Computational Chemistry, vol. 26, no. 16, pp. 1719–1751, 2005. View at Publisher · View at Google Scholar
  16. C. Oostenbrink, A. Villa, A. E. Mark, and W. F. van Gunsteren, “A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6,” Journal of Computational Chemistry, vol. 25, no. 13, pp. 1656–1676, 2004. View at Publisher · View at Google Scholar
  17. R. D. Lins and P. H. Hünenberger, “A new GROMOS force field for hexopyranose-based carbohydrates,” Journal of Computational Chemistry, vol. 26, no. 13, pp. 1400–1412, 2005. View at Publisher · View at Google Scholar
  18. A. Imberty, H. Chanzy, S. Pérez, A. Buléon, and V. Tran, “The double-helical nature of the crystalline part of A-starch,” Journal of Molecular Biology, vol. 201, no. 2, pp. 365–378, 1988. View at Publisher · View at Google Scholar
  19. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, and J. Hermans, “Interaction models for water in relation to protein hydration,” in Intermolecular Forces, B. Pullman, Ed., pp. 331–342, Reidel, Dordrecht, The Netherlands, 1981.
  20. H. Liu, F. Müller-Plathe, and W. F. van Gunsteren, “A force field for liquid dimethyl sulfoxide and physical properties of liquid dimethyl sulfoxide calculated using molecular dynamics simulation,” Journal of the American Chemical Society, vol. 117, no. 15, pp. 4363–4366, 1995. View at Publisher · View at Google Scholar
  21. A. Amadei, G. Chillemi, M. A. Ceruso, A. Grottesi, and A. Di Nola, “Molecular dynamics simulations with constrained roto-translational motions: theoretical basis and statistical mechanical consistency,” The Journal of Chemical Physics, vol. 112, no. 1, pp. 9–23, 2000. View at Publisher · View at Google Scholar
  22. J.-P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, “Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes,” Journal of Computational Physics, vol. 23, no. 3, pp. 327–341, 1977. View at Publisher · View at Google Scholar
  23. I. G. Tironi, R. Sperb, P. E. Smith, and W. F. van Gunsteren, “A generalized reaction field method for molecular dynamics simulations,” The Journal of Chemical Physics, vol. 102, no. 13, pp. 5451–5459, 1995. View at Publisher · View at Google Scholar
  24. A. Glättli, X. Daura, and W. F. van Gunsteren, “Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L,” Journal of Chemical Physics, vol. 116, no. 22, pp. 9811–9828, 2002. View at Publisher · View at Google Scholar
  25. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, “Molecular dynamics with coupling to an external bath,” The Journal of Chemical Physics, vol. 81, no. 8, pp. 3684–3690, 1984. View at Publisher · View at Google Scholar
  26. V. Kräutler, M. Kastenholz, and P. H. Hünenberger, “The esra molecular mechanics analysis package,” 2005.