Structure of poly(propyl ether imine) dendrimer from fully atomistic molecular dynamics simulation and by small angle x-ray scattering

Journal of Chemical Physics

Volumn 124, Issue 20, 2006, Pages

  Jana, Chandan ^a   Jayamurugan, G ^a   Ganapathy, Rajesh ^a   Maiti, Prabal K ^a   Jayaraman, N ^a   Sood, A K ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; COMPUTER SIMULATION; FRACTALS; MOLECULAR STRUCTURE; SOLVENTS; TENSORS; X RAY SCATTERING;

GUEST-HOST APPLICATIONS; NEUTRAL POLY(PROPYL ETHER IMINE); RADIUS OF GYRATION; SHAPE TENSOR;

DENDRIMERS;

EID: 34547853738     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2194538     Document Type: Article

References (54)

1. G. R. Newkome, C. N. Moorfield, and F. Vögtle, Dendrimers and Dendrons: Concepts, Synthesis, Applications (Wiley-VCH, Weinheim, Germany, 2001).
2. M. Ballauff, Top. Curr. Chem. 112, 177 (2001).
3. A. Adronov and J. M. J. Fráchet, Chem. Commun. (Cambridge) 2000, 1701.
4. M. A. Hearshaw and J. R. Moss, Chem. Commun. (Cambridge) 1999, 1.
5. K. Inoue, Prog. Polym. Sci. 25, 453 (2000).
6. A. W. Bosman, H. M. Janssen, and E. W. Meijer, Chem. Rev. (Washington, D.C.) 99, 1665 (1999).
7. S. Hecht and J. M. J. Fráchet, Angew. Chem., Int. Ed. 40, 74 (2001).
8. J. Nithyanandhan and N. Jayaraman, J. Org. Chem. 67, 6282 (2002).
9. A. Bielinska, J. F. Kukowska-Latallo, J. Johnson, D. A. Tomalia, and J. R. Baker, Jr., Nucleic Acids Res. 24, 2176 (1996).
10. D. S. Shah, T. Sakthivel, I. Toth, A. T. Florence, and A. F. Wilderspin, Int. J. Pharm. 208, 41 (2000).
11. J. A. Hughes, I. A. Aronsohn, A. V. Avrutskaya, and R. L. Juliano, Pharm. Res. 13, 404 (1996).
12. H. Yoo, P. Sazani, and R. L. Juliano, Pharm. Res. 16, 1799 (1999).
13. D. A. Tomalia, A. M. Naylor, and W. A. Goddard III, Angew. Chem., Int. Ed. Engl. 29, 138 (1990).
14. S. Rosenfeldt, N. Dingenouts, M. Ballauff, P. Lindner, C. N. Likos, N. Werner, and F. Vögtle, Macromol. Chem. Phys. 1022-1352 10.1002/1521- 3935(200209)203:13<1995::AID-MACP19953.0.CO;2-6 203, 1995 (2002); M. Ballauff and C. N. Likos, Angew. Chem., Int. Ed. 43, 2998 (2004).
15. S. Rosenfeldt, N. Dingenouts, M. Ballauff, P. Lindner, C. N. Likos, N. Werner, and F. Vögtle, Macromol. Chem. Phys. 1022-1352 10.1002/1521- 3935(200209)203:13<1995::AID-MACP19953.0.CO;2-6 203, 1995 (2002); M. Ballauff and C. N. Likos, Angew. Chem., Int. Ed. 43, 2998 (2004).
16. A. Topp, B. J. Bauer, D. A. Tomalia, and E. J. Amis, Macromolecules 32, 7232 (1999).
17. T. J. Prosa, B. J. Bauer, and E. J. Amis, Macromolecules 34, 4897 (2001).
18. R. Scherrenberg, B. Coussens, P. van Vliet, G. Edouard, J. Brackman, and E. de Brabander, Macromolecules 31, 456 (1998).
19. P. K. Maiti, T. Cagin, G. Wang, and W. A. Goddard III, Macromolecules 37, 6236 (2004).
20. P. K. Maiti, T. Cagin, S. T. Lin, and W. A. Goddard III, Macromolecules 38, 979 (2005).
21. E. Canetta and G. Maino, Nucl. Instrum. Methods Phys. Res. B 213, 71 (2004).
22. D. Boris and M. Rubinstein, Macromolecules 29, 7251 (1996).
23. M. L. Mansfield and I. L. Klushin, Macromolecules 26, 4262 (1993).
24. A. V. Lyulin, G. R. Davies, and D. B. Adolf, Macromolecules 33, 6899 (2000).
25. A. V. Lyulin, G. R. Davies, and D. B. Adolf, Macromolecules 33, 3294 (2000).
26. T. Cagin, G. Wang, R. Martin, W. A. Goddard III, and N. Breen, Nanotechnology 11, 77 (2000).
27. K. J. Naidoo, S. J. Hughes, and J. R. Moss, Macromolecules 32, 331 (1999).
28. P. G. de Gennes and H. Hervet, J. Phys. (France) 44, L351 (1983).
29. S. Tretiak and S. Mukamel, Chem. Rev. (Washington, D.C.) 102, 3171 (2002).
30. T. Tada, D. Nozaki, M. Kondo, and K. Yoshizawa, J. Phys. Chem. B 107, 14204 (2003).
31. C. J. Hawker and J. M. J. Fráchet, J. Am. Chem. Soc. 112, 7638 (1990).
32. R. L. Lescanec and M. Muthukumar, Macromolecules 23, 2280 (1990).
33. M. Murat and G. S. Grest, Macromolecules 29, 1278 (1996).
34. A. M. Naylor, W. A. Goddard III, G. E. Keiffer, and D. A. Tomalia, J. Am. Chem. Soc. 111, 2339 (1989).
35. C. B. Gorman and J. C. Smith, Polymer 41, 675 (2000).
36. M. Han, P. Chen, and X. Yang, Polymer 46, 3481 (2005).
37. S. Rosenfeldt, N. Dingenouts, M. Ballauff, P. Lindner, C. N. Likos, N. Werner, and F. Vogtle, Macromol. Chem. Phys. 203, 1995 (2002).
38. N. C. Beck Tan, L. Balogh, S. F. Trevino, D. A. Tomalia, and J. S. Lin, Polymer 40, 2537 (1999).
39. T. R. Krishna and N. Jayaraman, J. Org. Chem. 0022-3263 68, 9694 (2003); T. R. Krishna, M. Belwal, U. S. Tatu, and N. Jayaraman, Tetrahedron 61, 4281 (2005).
40. T. R. Krishna and N. Jayaraman, J. Org. Chem. 0022-3263 68, 9694 (2003); T. R. Krishna, M. Belwal, U. S. Tatu, and N. Jayaraman, Tetrahedron 61, 4281 (2005).
41. CERIUS2 Modeling Environment, Release 4.0., Accelrys Inc., San Diego, CA, 1999.
42. A. K. Rappe and W. A. Goddard III, J. Phys. Chem. 95, 3358 (1991).
43. S. L. Mayo, B. D. Olafson, and W. A. Goddard III, J. Phys. Chem. 94, 8897 (1990).
44. D. A. Case, D. A. Pearlman, J. W. Caldwell, AMBER 7, University of California, San Francisco, 2002.
45. T. Darden, D. York, and L. Pedersen, J. Chem. Phys. 98, 10089 (1993).
46. G. Evmenenko, B. J. Bauer, R. Kleppinger, B. Forier, W. Dehaen, E. J. Amis, N. Mischenko, and H. Reynaers, Macromol. Chem. Phys. 202, 891 (2001).
47. I. O. Gotze and C. N. Likos, Macromolecules 36, 8189 (2003).
48. C. L. Jackson, H. D. Chanzy, F. P. Booy, B. J. Drake, D. A. Tomalia, B. J. Bauer, and E. J. Amis, Macromolecules 31, 6259 (1998).
49. J. Li, L. T. Piehler, D. Qin, J. R. Baker, D. A. Tomalia, and D. J. Meier, Langmuir 16, 5613 (2000).
50. D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995).
51. G. Rudnick and G. Gaspari, J. Phys. A 4, L191 (1986).
52. S. T. Lin, P. K. Maiti, and W. A. Goddard III, J. Phys. Chem. B 109, 8663 (2005).
53. G. Evmenenko, B. J. Bauer, R. Kleppinger, B. Forier, W. Dehaen, E. J. Amis, N. Mischenko, and H. Reynaers, Macromol. Chem. Phys. 202, 891 (2001).
54. A. I. Kuklin, A. N. Ozerin, A. K. Islamov, J. Appl. Crystallogr. 36, 679 (2003).