Theoretical study of the α-cyclodextrin dimer

Journal of Physical Chemistry A

Volumn 109, Issue 14, 2005, Pages 3209-3219

  Nascimento Jr , Clebio S ^a,b   Anconi, Cleber P A ^b   Dos Santos, Hélio F ^a   De Almeida, Wagner B ^b  

^a Universidade Federal de Juiz de For   (Brazil)

^b Campus Universitário   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

Α-CYCLODEXTRIN; BIADAPTABILITY; GIBBS DISTRIBUTION; MOLECULAR MECHANICS;

BINDING ENERGY; GIBBS FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; OLIGOMERS; POLYSACCHARIDES; QUANTUM THEORY; SOLUTIONS; THERMODYNAMIC PROPERTIES; WATER;

DIMERS;

ALPHA CYCLODEXTRIN; ALPHA CYCLODEXTRIN DERIVATIVE; ALPHA-CYCLODEXTRIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DIMERIZATION; THERMODYNAMICS;

ALPHA-CYCLODEXTRINS; COMPUTER SIMULATION; DIMERIZATION; MODELS, MOLECULAR; THERMODYNAMICS;

EID: 17444391703     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044490j     Document Type: Article

References (48)

1. Connors, K. A. Chem. Rev. 1997, 97, 1325.
2. Szejtli, J. Chem. Rev. 1998, 98, 1743.
3. Uekama, K. Chem. Pharm. Bull. 2004, 52, 9000.
4. Kopecky, F.; Vojtekova, M.; Kaclik, P.; Demko, M.; Bielikova, Z. J. Pharm. Pharmacol. 2004, 56, 581.
5. Strickley, R. G. Pharm. Res. 2004, 21, 201.
6. Mora, P. C.; Cirri, M.; Allolio, B.; Carli, F.; Mura, P. J. Pharm. Sci. 2003, 92, 2177.
7. Chourasia, M. K.; Jain, S. K. J. Pharm. Pharm. Sci. 2003, 6, 33.
8. Li, J.; Ni, X. P.; Leong, K. W. J. Biomed. Mater. Res. A. 2003, 65A, 196.
9. Loftsson, T.; Brewster, M. E. J. Pharm. Sci. 1996, 85, 1017.
10. Thompson, D. O. CRC Crit. Rev. Ther. Drug Carrier Syst. 1997, 14, 1.
11. Uekama, K.; Hirayama, F.; Irie, T. Chem. Rev. 1998, 98, 2045.
12. Rekharsky, M. V.; Inoue, Y. Chem. Rev. 1998, 98, 1875.
13. Schneider, H. J.; Hacket, F.; Rudiger, V.; Ikeda, H. Chem. Rev. 1998, 98, 1755.
14. Sabbani, S.; Samar, K. J. Cluster Sci. 2003, 14, 337.
15. Funasaki, N.; Ishikawa, S.; Neya, S. J. Phys. Chem. B. 2004, 108, 9593.
16. Miyake, K.; Yasuda, S.; Harada, A.; Sumaoka, J.; Komiyama, M.; Shigekawa, H. J. Am. Chem. Soc. 2003, 125, 5080.
17. Lecourt, T.; Mallet, J. M.; Sinay, P Tetrahedron Lett. 2002, 43, 5533.
18. Baugh, S. D. P.; Yang, Z., Leung, D. K.; Wilson, D. M.; Breslow, R. J. Am. Chem. Soc. 2001, 123, 12488.
19. Ueno, A.; Yoshimura, H.; Saka, R.; Osa, T. J. Am. Chem. Soc. 1979, 101, 2779.
20. Cramer, F.; Saenger, W.; Spatz, H.-Ch. J. Am. Chem. Soc. 1967, 89, 14.
21. Coleman, A. W.; Nicolis, I.; Keller, N.; Dalbiez, J. P. J. Ind. Phenom. 1992, 13, 139.
22. Miyajima, K.; Saweda, M.; Nagakari, M. Bull. Chem. Soc. Jpn. 1983, 56, 3556.
23. Bonnet, P.; Jaime, C.; Morin-Allory, L. J. Org. Chem. 2001, 66, 689.
24. Bonnet, P.; Jaime, C.; Morin-Allory, L. J. Org. Chem. 2002, 67, 8602.
25. Avakyan, V. G.; Nazarov, V. B.; Alfimov, M. V.; Bagatur'yants, A. A.; Voronezheva, N. I. Russ. Chem. Bull., Int. Ed., 2001, 50, 206.
26. Nascimento Jr., C. S.; Dos Santos, H. F.; De Almeida, W. B. Chem. Phys. Lett. 2004, 397, 422.
27. Gregory, J. K.; Clary, D. C. J. Phys. Chem. 1996, 100, 18014.
28. Stilllinger, F. H. Science 1980, 209, 451.
29. Liu, K.; Cruzan, J. D.; Saykally, R. J. Science 1996, 271, 929.
30. Wormer, P. Ho; van der Avoird, A. Chem. Rev. 2000, 100, 4109.
31. Ludwig, R. Angew. Chem., Int. Ed. 2001, 40, 1808.
32. Keutsch, F. N.; Cruzan, J. D.; Saykally, R. J. Chem. Rev. 2003, 103, 2533.
33. Kalinichev, A. G.; Churakov, S. V. Chem. Phys. Lett. 1999, 302, 411.
34. Manor, P. C.; Saenger, W. J. Am. Chem. Soc., 1974, 96, 3630.
35. Stewart, J. J. P. J. Comput. Chem. 1989, 209, 221.
36. Britto, M. A. F. O.; Nascimento Jr., C. S.; Dos Santos, H. F. Quim. Nova 2004, 27, 882.
37. See, for example: McQuarrie, D. A. Statistical Thermodynamics; University Science Books, Mill Valley, CA, 1973.
38. Dos Santos, H. F.; Rocha, W. R.; De Almeida, W. B. Chem. Phys. 2002, 280. 31.
39. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
40. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1993, 37, 785.
41. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
42. Frisch, M. J.; et al. Gaussian 98 (Revision A.1). Gaussian Inc.: Pittsburgh, PA 1998.
43. Li, X. S.; Liu, L. Monatsh. Chem. 2000, 131, 849.
44. Yujuan, C.; Xiaohua, X.; Runhua, L.; Quinxiang, G. J. Indus. Phenom. Macrocycl. Chem. 2003, 46 195.
45. Miyake, K.; Yasuda, S.; Harada, A.; Sumaoka, J.; Komiyama, M.; Shigekawa, H. J. Am. Chem. Soc. 2003, 125, 5080.
46. Ferrari, A. M.; Garrone, E.; Ugliengo, P. Chem. Phys. Lett. 1993, 2/2, 644.
47. Liu, L.; Guo, Q.-X. J. Inclus. Phenom. Macrocycl. Chem. 2002, 42, 1.
48. De Almeida, W. B. J. Braz. Chem. Soc. 2005, in press.