Hostname: page-component-586b7cd67f-t8hqh Total loading time: 0 Render date: 2024-11-25T15:33:16.306Z Has data issue: false hasContentIssue false
  • English
  • Français

Dissipative Particle Dynamics Studies on the Self-Assembling Dynamics of the Peptide Amphiphiles

Published online by Cambridge University Press:  15 March 2011

Taiga Seki ,
Noriyoshi Arai ,
Taku Ozawa ,
Tomoko Shimada ,
Kenji Yasuoka  and
Atsushi Hotta
Taiga Seki
Affiliation:
Graduate School of Science and Technology, Keio University, Yokohama, Japan
Noriyoshi Arai
Affiliation:
Graduate School of Science and Technology, Keio University, Yokohama, Japan
Taku Ozawa
Affiliation:
JRI Solutions, Ltd., Tokyo, Japan
Tomoko Shimada
Affiliation:
Asahi Kasei Co., Tokyo, Japan
Kenji Yasuoka
Affiliation:
Graduate School of Science and Technology, Keio University, Yokohama, Japan
Atsushi Hotta
Affiliation:
Graduate School of Science and Technology, Keio University, Yokohama, Japan
Get access

Abstract

A coarse-grained model of peptide amphiphiles (PA) dissolved in aqueous solution was presented, where the effects of PA concentration, temperature and shear stress upon the self-assembly of PA were numerically studied by dissipative particle dynamics (DPD) simulation. We technically investigate the repulsion parameter aHW which indicates the repulsion force between the hydrophilic head of PA and water molecules, hence, at the same time, indicating the change in temperature. It was found that aHW played an important role in the self-assembly dynamics and in the resulting micro-structures of PA. By imposing shear strain on the simulation system, the formation of wormlike PA micelles was accelerated. The simulation results were in good agreement with our previous experimental results and the mechanism of shear-induced transition was proposed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1135: Symposium CC – Design, Fabrication and Self Assembly of “Patchy” and Anisometric Particles , 2008 , 1135-CC06-02
Copyright
Copyright © Materials Research Society 2007

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Israelachvili, J. N., Intermolecular and Surface Forces, 2nd ed. (Academic Press, London, 1992) pp.355–371.Google Scholar
2. Li, Y., Xu, G., Wu, D., and Sui, W., European Polymer Journal, 43, 2690 (2007).Google Scholar
3. Ryjkina, E., Kuhn, H., Rehage, H., Muller, F., and Peggau, J., Angew. Chem. Int. Ed. 41, 983 (2002).Google Scholar
4. Ortiz, V., Nielsen, S. O., Klein, M. L., and Discher, D. E., Journal of Polymer Science Part B: Polymer Physics 44, 1907 (2006).Google Scholar
5. Groot, R. D. and Madden, T. J., J. Chem. Phys. 108, 8713 (1998).Google Scholar
6. Cressely, R. and Hartmann, V., The European Physical Journal. B 6, 57 (1998).Google Scholar
7. Shikata, T., Dahman, S. J., and Pearson, D. S., Langmuir 10, 3470 (1994).Google Scholar
8. Liu, C. and Pine, D. J., Physical Review Letters 77, 2121 (1996).Google Scholar
9. Aime, C., Manet, S., Satoh, T., Ihara, H., Park, K., Godde, F., and Oda, R., Langmuir 23, 12875 (2007).Google Scholar
10. Velichko, Y. S., Stupp, S. I., and delaCruz, M. O., J. Phys. Chem. B 112, 2326 (2008).Google Scholar
11. Tsonchev, S., Niece, K. L., Schatz, G. C., Ratner, M. A., and Stupp, S. I., J. Phys. Chem. B 112, 441 (2008).Google Scholar
12. Pellarin, R. and Caflisch, A., Journal of Molecular Biology, 360, 882 (2006).Google Scholar
13. Nowak, A. P., Breedveld, V., Pakstis, L., Ozbas, B., Pine, D. J., Pochan, D., and Deming, T. J., Nature 417, 424 (2002).Google Scholar
14. Ding, W., Lin, S., Lin, J., and Zhang, L., J. Phys. Chem. B 112, 776 (2008).Google Scholar
15. Shimada, T. and Tirrell, M., Polymeric Materials: Science & Engineering 93, 127 (2005).Google Scholar
16. Shimada, T., Hotta, A., and Tirrell, M., Polymeric Materials: Science & Engineering 94, 90 (2006).Google Scholar
17. Hoogerbrugge, P. J. and Koelman, J. M. V. A., Europhys. Lett. 19, 155 (1992).Google Scholar
18. Jury, S., Bladon, P., Cates, M., Krishna, S., Hagen, M., Ruddock, N., and Warren, P., Phys. Chem. Chem. Phys. 1, 2051 (1999).Google Scholar
19. Arai, N., Yasuoka, K., and Masubuchi, Y., J. Chem. Phys. 126, 244905 (2007).Google Scholar
20. Groot, R. D. and Warren, P. B., J. Chem. Phys. 107, 4423 (1997).Google Scholar
21. Lim, Y. H., Kim, D., and Lee, D. S., J Appl Polym Sci 64, 2647 (1997).Google Scholar
22. Zhou, Y., Yan, D., Dong, W., and Tian, Y., J. Phys. Chem. B 111, 1262 (2007).Google Scholar