Quantum mechanical study of complexation of dopamine and epinephrine with β-Cyclodextrin using PM6, ONIOM and NBO analysis

Journal of Computational and Theoretical Nanoscience

Volumn 9, Issue 10, 2012, Pages 1571-1576

  Djemil, Rayenne ^a   Khatmi, Djameleddine ^a  

^a UNIVERSITY OF GUELMA   (Algeria)

Author keywords

Cyclodextrin; Dopamine; Epinephrine; Inclusion Complexes; Quantum Mechanics

Indexed keywords

DONOR-ACCEPTOR INTERACTION; DOPAMINE; EPINEPHRINE; GUEST MOLECULES; INCLUSION COMPLEX; INTERMOLECULAR HYDROGEN BONDS; NBO ANALYSIS; OPTIMUM POSITION; QUANTUM-MECHANICAL STUDY; STABLE STRUCTURES; STRUCTURAL ASPECTS;

AMINES; NEUROPHYSIOLOGY; PHENOLS; QUANTUM THEORY;

HYDROGEN BONDS;

EID: 84868112000     PISSN: 15461955     EISSN: 15461963     Source Type: Journal    
DOI: 10.1166/jctn.2012.2246     Document Type: Article

References (38)

1. V. S. Vasantha and C. Shen-Ming, Electrochemical Chemistry 592, 77 (2006).
2. L. Aihua, H. Itam, and Z. Haoshen, Biosens. Bioelectron. (2007).
3. Y. Hong, S. Yuanynan, L. Xinhua, T. Yuhai, and H. Linying, Electrochim. Acta. 52, 6165 (2007).
4. L. Xinhua, Z. Yafeng, C. Wie, and W. Ping, Sens. Actuators B 122, 3863 (2007).
5. A. I. Gopalan, K. P. Lee, K. Manesh, M. P. J. H. Santhosh, J. S. Kim, and Kang, Talanta 71, 1774 (2007).
6. K. S. Reza, B. Mojtaba, Seyed, and A. Mi, Sens. Actuators B 115, 614 (2006).
7. S. K. Lunsford, H. Choi, J. Stinson, A. Yeary, and D. D. Dionysion, Talanta (2007).
8. M. Wei and S. Deng-Ming, Chinese J. Anal. Chem. 35, 66 (2007).
9. X. H. Liu, Y. Zhang, G. F. Zuo, and X. Q. Lu, Chinese Chem. Lett. 17, 657 (2006).
10. J. Li and X. Lin, Sens. Actuators B 124, 486 (2007).
11. W. Zhang, X. Cao, F. Wan, S. Zhang, and Z. Jin, Anal. Chim. Acta 27, 472 (2002).
12. Z. Gao and H. Huang, Chem. Common. 19, 2107 (1998).
13. T.-F. Kang, G.-L. Shen, and R.-Q. Yu, Talanta 43, 2007 (1996).
14. N. Izaoumen, D. Bouchta, H. Zejli, M. El Kaoutit, and K. R. Temsmani, Analytical Lett. 12, 1869 (2005).
15. D. Bouchta, N. IZaoumen, H. Zejli, M. El Kaoutit, K. R. Tensamani, Biosens. Bioelectron. 20, 2228 (2005).
16. Y. Yu, L. Cun-Xi, L. Zhi-Min, L. Yan-Li, S. Guo-Li, and Y. Ru-Qin, Analytical Lett. 37, 2267 (2004).
17. G.-Y. Wang, X.-J. Liu, G.-A. Luo, and Z.-H. Wang, Chineses J. Chem. 23, 297 (2005).
18. A. Fragoso, E. Almirall, R. Cao, R. Echegoyen, and R. Gonzalez-Jonte, Chem. Commun. 10, 2230 (2004).
19. U. E. Majeswska, K. Chmurski, K. Biesiada, A. R. Olszyma, and R. Bilewicz, Electroanalysis 15, 1463 (2006).
20. E. Schneiderman, A. M. Stalcup, Chromatography B 745, 83 (2000).
21. I. Fura, I. Posuk, and K. Tompa, Carbohydr. Polym. 6.85 (1986).
22. J. Szejtli, Carbohydr. Polym. 12, 375 (1990).
23. Y. Tanji, W. Wanzhi, and Z. Jinxiang, Anal. Bioanal. Chem. 386, 2087 (2006).
24. B. S. Jursic, Z. Zdravkoxski, and A. D. French, Mol. Struct. 366, 113 (1996).
25. Y. Zhou, C. Liu, H. Yu, H. Xu, Q. Lu, L. Wang, Spectrosc. Lett. 39, 409 (2006).
26. J. J. P Stewart, Mol. Model. 13, 1173 (2007).
27. J. J. P. Stewart, J. MOPAC, Stewart Computational Chemistry, Colorado Springs, CO., USA (2007).
28. L. Liu and Q. X. Guo, Incl. Phenom. Macrocycl. Chem. 50, 95 (2004).
29. C. L. Yan, X. H. Li, Z. L. Xiu, and C. Hao, Mol. Struct.( Theo. Chem.) 764, 95 (2006).
30. C. L. Yan, X. H. Li, Z. L. Xiu, and C. Hao, Mol. Graph. Model. 26, 420 (2007).
31. J. S. Holt, Mol. Struct. 965, 31 (2010).
32. O. A. Yahia and D. E. Khatmi, Mol. Struct: Theo. Chem. 912, 38 (2009).
33. M. J. Huang, Z. Quan, and Y. M. Liu, Int Quantum Chem. 109, 81 (2009).
34. G. S. Tschumpera, K. Morokuma, Mol. Struct (Theo. Chem.) 592, 137 (2002).
35. M. Kuno, S. Hannongbua, and K. Morokuma, Chem. Phys. Lett. 380, 456 (2003).
36. E. Kavitha, N. Sundaraganesan, S. Sebastian, and M. Kurt, Spectrochim. Acta Part A 77, 612 (2010).
37. J. W. de M. Carneiro, C. D. S. B. de Oliveira, F. B. Passos, D. A. G. Aranda, P. R. N. de Souza, and O. A. C. Antunes, Mol. Catalysis A: Chem. 226, 221 (2005).
38. A. N. Chermahini, H. A. Dabbagh, and A. Teimouri, Mol. Struct. Theo. Chem. 857, 105 (2008).