Table of Contents Author Guidelines Submit a Manuscript
Journal of Nanomaterials
Volume 2008, Article ID 582973, 8 pages
http://dx.doi.org/10.1155/2008/582973
Research Article

Mineral and Protein-Bound Water and Latching Action Control Mechanical Behavior at Protein-Mineral Interfaces in Biological Nanocomposites

Department of Civil Engineering, North Dakota State University, Fargo, ND 58105, USA

Received 9 October 2007; Revised 21 March 2008; Accepted 25 June 2008

Academic Editor: Junlan Wang

Copyright © 2008 Pijush Ghosh 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. F. von Recum, Ed., Handbook of Biomaterials Evaluation, Macmillan, New York, NY, USA, 1986.
  2. R. Z. Wang, Z. Suo, A. G. Evans, N. Yao, and I. A. Aksay, “Deformation mechanisms in nacre,” Journal of Materials Research, vol. 16, no. 9, pp. 2485–2493, 2001. View at Publisher · View at Google Scholar
  3. D. R. Katti and K. S. Katti, “Modeling microarchitecture and mechanical behavior of nacre using 3D finite element techniques—part I: elastic properties,” Journal of Materials Science, vol. 36, no. 6, pp. 1411–1417, 2001. View at Publisher · View at Google Scholar
  4. D. R. Katti, K. S. Katti, J. M. Sopp, and M. Sarikaya, “3D finite element modeling of mechanical response in nacre-based hybrid nanocomposites,” Computational and Theoretical Polymer Science, vol. 11, no. 5, pp. 397–404, 2001. View at Publisher · View at Google Scholar
  5. K. Katti, D. R. Katti, J. Tang, S. Pradhan, and M. Sarikaya, “Modeling mechanical responses in a laminated biocomposite—part II: nonlinear responses and nuances of nanostructure,” Journal of Materials Science, vol. 40, no. 7, pp. 1749–1755, 2005. View at Publisher · View at Google Scholar
  6. K. S. Katti, D. R. Katti, S. M. Pradhan, and A. Bhosle, “Platelet interlocks are the key to toughness and strength in nacre,” Journal of Materials Research, vol. 20, no. 5, pp. 1097–1100, 2005. View at Publisher · View at Google Scholar
  7. D. R. Katti, S. M. Pradhan, and K. S. Katti, “Modeling the organic-inorganic interfacial nanoasperities in a model bio-nanocomposite, nacre,” Reviews on Advanced Materials Science, vol. 6, no. 2, pp. 162–168, 2004. View at Google Scholar
  8. P. Ghosh, D. R. Katti, and K. S. Katti, “Mineral proximity influences mechanical responses of proteins in biological mineral-protein hybrid systems,” Biomacromolecules, vol. 8, no. 3, pp. 851–856, 2007. View at Publisher · View at Google Scholar
  9. R. Bhowmik, K. S. Katti, and D. R. Katti, “Mechanics of molecular collagen is influenced by hydroxyapatite in natural bone,” Journal of Materials Science, vol. 42, no. 21, pp. 8795–8803, 2007. View at Publisher · View at Google Scholar
  10. B. L. Smith, T. E. Schäffer, M. Viani et al., “Molecular mechanistic origin of the toughness of natural adhesives, fibres and composites,” Nature, vol. 399, no. 6738, pp. 761–763, 1999. View at Publisher · View at Google Scholar
  11. X. Shen, A. M. Belcher, P. K. Hansma, G. D. Stucky, and D. E. Morse, “Molecular cloning and characterization of Lustrin A, a matrix protein from shell and pearl nacre of Haliotis rufescens,” The Journal of Biological Chemistry, vol. 272, no. 51, pp. 32472–32481, 1997. View at Publisher · View at Google Scholar
  12. M. Karplus and J. A. McCammon, “Molecular dynamics simulations of biomolecules,” Nature Structural Biology, vol. 9, no. 9, pp. 646–652, 2002. View at Publisher · View at Google Scholar
  13. B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. J. Karplus, “CHARMM: a program for macromolecular energy, minimization, and dynamics calculations,” Journal of Computational Chemistry, vol. 4, no. 2, pp. 187–217, 1983. View at Publisher · View at Google Scholar
  14. M. Gao, M. Wilmanns, and K. Schulten, “Steered molecular dynamics studies of titin I1 domain unfolding,” Biophysical Journal, vol. 83, no. 6, pp. 3435–3445, 2002. View at Google Scholar
  15. B. Isralewitz, M. Gao, and K. Schulten, “Steered molecular dynamics and mechanical functions of proteins,” Current Opinion in Structural Biology, vol. 11, no. 2, pp. 224–230, 2001. View at Publisher · View at Google Scholar
  16. H. Lu and K. Schulten, “Steered molecular dynamics simulations of force-induced protein domain unfolding,” Proteins: Structure, Function and Genetics, vol. 35, no. 4, pp. 453–463, 1999. View at Publisher · View at Google Scholar
  17. A. Krammer, H. Lu, B. Isralewitz, K. Schulten, and V. Vogel, “Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch,” Proceedings of the National Academy of Sciences of the United States of America, vol. 96, no. 4, pp. 1351–1356, 1999. View at Publisher · View at Google Scholar
  18. D. R. Katti, S. R. Schmidt, P. Ghosh, and K. S. Katti, “Modeling the response of pyrophyllite interlayer to applied stress using steered molecular dynamics,” Clays and Clay Minerals, vol. 53, no. 2, pp. 171–178, 2005. View at Publisher · View at Google Scholar
  19. S. R. Schmidt, D. R. Katti, P. Ghosh, and K. S. Katti, “Evolution of mechanical response of sodium montmorillonite interlayer with increasing hydration by molecular dynamics,” Langmuir, vol. 21, no. 17, pp. 8069–8076, 2005. View at Publisher · View at Google Scholar
  20. D. R. Katti, S. R. Schmidt, P. Ghosh, and K. S. Katti, “Molecular modeling of the mechanical behavior and interactions in dry and slightly hydrated sodium montmorillonite interlayer,” Canadian Geotechnical Journal, vol. 44, no. 4, pp. 425–435, 2007. View at Publisher · View at Google Scholar
  21. P. Ghosh, D. R. Katti, and K. S. Katti, “Impact of β-sheet conformations on the mechanical response of protein in biocomposites,” Materials and Manufacturing Processes, vol. 21, no. 7, pp. 676–682, 2006. View at Publisher · View at Google Scholar
  22. S. Park and K. Schulten, “Calculating potentials of mean force from steered molecular dynamics simulations,” The Journal of Chemical Physics, vol. 120, no. 13, pp. 5946–5961, 2004. View at Publisher · View at Google Scholar
  23. S. G. Dastidar and C. Mukhopadhyay, “Unfolding dynamics of the protein ubiquitin: insight from simulation,” Physical Review E, vol. 72, no. 5, Article ID 051928, 10 pages, 2005. View at Publisher · View at Google Scholar
  24. M. Cieplak, T. X. Hoang, and M. O. Robbins, “Folding and stretching in a Go-like model of titin,” Proteins: Structure, Function and Genetics, vol. 49, no. 1, pp. 114–124, 2002. View at Publisher · View at Google Scholar
  25. Y. Sugita and Y. Okamoto, “Replica-exchange molecular dynamics method for protein folding,” Chemical Physics Letters, vol. 314, no. 1-2, pp. 141–151, 1999. View at Publisher · View at Google Scholar
  26. B. D. Brower-Toland, C. L. Smith, R. C. Yeh, J. T. Lis, C. L. Peterson, and M. D. Wang, “Mechanical disruption of individual nucleosomes reveals a reversible multistage release of DNA,” Proceedings of the National Academy of Sciences of the United States of America, vol. 99, no. 4, pp. 1960–1965, 2002. View at Publisher · View at Google Scholar
  27. X. Zhuang, T. Ha, H. D. Kim, T. Centner, S. Labeit, and S. Chu, “Fluorescence quenching: a tool for single-molecule protein-folding study,” Proceedings of the National Academy of Sciences of the United States of America, vol. 97, no. 26, pp. 14241–14244, 2000. View at Publisher · View at Google Scholar
  28. J. G. Forbes and G. H. Lorimer, “Unraveling a membrane protein,” Science, vol. 288, no. 5463, pp. 63–64, 2000. View at Publisher · View at Google Scholar
  29. B. Mohanty, K. S. Katti, and D. R. Katti, “Experimental investigation of nanomechanics of the mineral-protein interface in nacre,” Mechanics Research Communications, vol. 35, no. 1-2, pp. 17–23, 2008. View at Publisher · View at Google Scholar
  30. J. P. R. de Villiers, “Crystal structures of aragonite, strontianite, and witherite,” The American Mineralogist, vol. 56, pp. 758–767, 1971. View at Google Scholar
  31. J. C. Phillips, R. Braun, W. Wang et al., “Scalable molecular dynamics with NAMD,” Journal of Computational Chemistry, vol. 26, no. 16, pp. 1781–1802, 2005. View at Publisher · View at Google Scholar
  32. W. Humphrey, A. Dalke, and K. Schulten, “VMD: visual molecular dynamics,” Journal of Molecular Graphics, vol. 14, no. 1, pp. 33–38, 1996. View at Publisher · View at Google Scholar
  33. J. A. Odell and A. Keller, “Flow-induced chain fracture of isolated linear macromolecules in solution,” Journal of Polymer Science Part B, vol. 24, no. 9, pp. 1889–1916, 1986. View at Publisher · View at Google Scholar
  34. M. Grandbois, M. Beyer, M. Rief, H. Clausen-Schaumann, and H. E. Gaub, “How strong is a covalent bond,” Science, vol. 283, no. 5408, pp. 1727–1730, 1999. View at Publisher · View at Google Scholar