Complexation mechanism of cucurbit[6]uril with hexamethylene diammonium cations in saline solution

Physical Chemistry Chemical Physics

Volumn 16, Issue 44, 2014, Pages 24169-24172

  Liu, Peng ^a,b   Shao, Xueguang ^a,b   Chipot, Christophe ^c,d   Cai, Wensheng ^a,b  

^a NANKAI UNIVERSITY   (China)

^b SynBio Research Platform   (China)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^d United States of America   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM DERIVATIVE; BRIDGED COMPOUND; CUCURBIT(6)URIL; IMIDAZOLE DERIVATIVE; SODIUM CHLORIDE;

CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; THERMODYNAMICS;

AMMONIUM COMPOUNDS; BRIDGED COMPOUNDS; IMIDAZOLES; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; SODIUM CHLORIDE; THERMODYNAMICS;

EID: 84908180841     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4cp04200j     Document Type: Article

References (33)

1. R. Behrend, E. Meyer, F. I. Rusche Justus Liebigs Ann. Chem., 1905, 339, 1.
2. W. A. Freeman, W. L. Mock, N. Y. Shih J. Am. Chem. Soc., 1981, 103, 7367.
3. C. R. Thomas, D. P. Ferris, J.-H. Lee, E. Choi, M. H. Cho, E. S. Kim, J. F. Stoddart, J.-S. Shin, J. Cheon, J. I. Zink J. Am. Chem. Soc., 2010, 132, 10623.
4. S. Angelos, N. M. Khashab, Y.-W. Yang, A. Trabolsi, H. A. Khatib, J. F. Stoddart, J. I. Zink J. Am. Chem. Soc., 2009, 131, 12912.
5. N. J. Wheate, A. I. Day, R. J. Blanch, A. P. Arnold, C. Cullinane, J. Grant Collins Chem. Commun., 2004, 1424.
6. S. K. Kim, K. M. Park, K. Singha, J. Kim, Y. Ahn, K. Kim, W. J. Kim Chem. Commun., 2010, 46, 692.
7. Y. B. Lim, T. Kim, J. W. Lee, S. M. Kim, H. J. Kim, K. Kim, J. S. Park Bioconjugate Chem., 2002, 13, 1181.
8. W. L. Mock, N. Y. Shih J. Am. Chem. Soc., 1989, 111, 2697.
9. Y.-M. Jeon, J. Kim, D. Whang, K. Kim J. Am. Chem. Soc., 1996, 118, 9790.
10. M. S. A. Khan, D. Heger, M. Necas, V. Sindelar J. Phys. Chem. B, 2009, 113, 11054.
11. I. Osaka, M. Kondou, N. Selvapalam, S. Samal, K. Kim, M. V. Rekharsky, Y. Inoue, R. Arakawa J. Mass Spectrom., 2006, 41, 202.
12. M. V. Rekharsky, Y.-H. Ko, N. Selvapalam, K. Kim, Y. Inoue Supramol. Chem., 2007, 19, 39.
13. K. B. Tarmyshov, F. Muller-Plathe J. Phys. Chem. B, 2006, 110, 14463.
14. W. L. Mock, N. Y. Shih J. Am. Chem. Soc., 1988, 110, 4706.
15. C. Marquez, R. R. Hudgins, W. M. Nau J. Am. Chem. Soc., 2004, 126, 5806.
16. J. Yu, F. Wu, L. Tao, J. Luo, Z. Yu Phys. Chem. Chem. Phys., 2011, 13, 3638.
17. X. Ling, E. L. Samuel, D. L. Patchell, E. Masson Org. Lett., 2010, 12, 2730.
18. H. Tang, D. Fuentealba, Y. Ho Ko, N. Selvapalam, K. Kim, C. Bohne J. Am. Chem. Soc., 2011, 133, 20623.
19. A. D. MacKerell, D. Bashford, M. Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, et al. J. Phys. Chem. B, 1998, 102, 3586.
20. E. R. Hatcher, O. Guvench, A. D. MacKerell J. Chem. Theory Comput., 2009, 5, 1315.
21. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, M. L. Klein J. Chem. Phys., 1983, 79, 926.
22. J. C. Phillips, R. Braun, W. Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R. D. Skeel, L. Kalé, K. Schulten J. Comput. Chem., 2005, 26, 1781.
23. D. Rodríguez-Gómez, E. Darve, A. Pohorille J. Chem. Phys., 2004, 120, 3563.
24. E. Darve, A. Pohorille J. Chem. Phys., 2001, 115, 9169.
25. K. Minoukadeh, C. Chipot, T. Lelièvre J. Chem. Theory Comput., 2010, 6, 1008.
26. J. Comer, J. C. Gumbart, J. Hénin, T. Lelièvre, A. Pohorille, C. Chipot J. Phys. Chem. B, 2014, 10.1021/jp506633n
27. J. Hénin, C. Chipot J. Chem. Phys., 2004, 121, 2904.
28. J. Hénin, G. Fiorin, C. Chipot, M. L. Klein J. Chem. Theory Comput., 2010, 6, 35.
29. G. Fiorin, M. L. Klein, J. Hénin Mol. Phys., 2013, 111, 22.
30. H. Flyvbjerg, H. G. Petersen J. Chem. Phys., 1989, 91, 461.
31. M. M. Harding Acta Crystallogr., Sect. D: Biol. Crystallogr., 2002, 58, 872.
32. X. Gong, J. Li, K. Xu, J. Wang, H. Yang J. Am. Chem. Soc., 2010, 132, 1873.
33. W. Humphrey, A. Dalke, K. Schulten J. Mol. Graphics, 1996, 14, 33.