Quantumchemical calculations of the structural stability of β-cyclodextrin/dopamine and β-cyclodextrin/ascorbic acid systems

ECS Transactions

Volumn 47, Issue 1, 2013, Pages 53-67

  Cuan A ^a,b   Velasco, A ^b   Palomar Pardave M E ^b   Ramirez Silva M T ^b   Romero Romo, M ^b   Cortes Romero C M ^a   Corona Avendano S ^b  

^a Division of Engineering in Nanotechnology Polytechnical University of the Mexico Valley   (Mexico)

^b UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL STABILITY; ELECTROCHEMISTRY; ELECTRONIC PROPERTIES; MOLECULES; PROTONATION; QUANTUM CHEMISTRY; STABILITY; ULTRAVIOLET SPECTROSCOPY;

HOST GUEST COMPLEXES; MOLECULAR ENERGIES; PREFERRED ORIENTATIONS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL CALCULATION; REACTANT MOLECULES; STRUCTURAL STABILITIES; ZERO-POINT ENERGIES;

ASCORBIC ACID;

EID: 84901419587     PISSN: 19385862     EISSN: 19386737     Source Type: Conference Proceeding    
DOI: 10.1149/04701.0053ecst     Document Type: Conference Paper

References (30)

1. F.H. Netter and A. Brass, Nervous System: anatomy and physiology, Pg. 131. Elsevier, (1994).
2. L. Samper, Neuro-química cerebral: las moléculas y la conducta. Biosalud, revista de ciencias básicas. Universidad de Caldas, Colombia (2007).
3. L. Tierney, S. McPhee and Papadakis, Diagnóstico clínico y tratamiento, Quinta Edición. Pg. 965. Editorial el Manual Moderno, (2000).
4. S. Menolasina, R. Contreras, A. Aguilar, O. Contreras and A. Rodríguez, Revista Técnica de la Facultad de Ingeniería de la Universidad del Zulia-Venezuela, 30(2), 151 (2007).
5. J.B. Justice and Jr.A. Jaramillo, Journal of the Electrochemical Society, 131, 106 (1984).
6. A. Boulton, G. Baker and R.N. Adams, Voltammetric Methods and Rain Systems, The Humana Press Editors, New Jersey (1995).
7. F. Gonon, M. Buda and J. Pujol, Measurements of Neurotransmitter Release in Vivo, John Wiley & Sons Inc., Chichester (1984).
8. Y. Zhang, G. Jin, Y. Wang and Z. Yang, Sensors, 3, 443 (2003).
9. Y. Liu, Z.Y. Li and J.H. Li, Chinese Chemical Letters, 16(1), 64 (2005).
10. G. Alarcón, M.T. Ramírez, S. Corona, M.E. Palomar, A. Merkoci, M.A. Romero and A. Rojas, Electrochemical Society Transactions, 15(1), 325 (2008).
11. M.I. Manzanares, V. Solís and R.H. De Rossi, Journal of Electroanalytical Chemistry, 407, 141 (1996).
12. Z.N. Gao, X.L. Wen and H.L. Li, Polish Journal of Chemistry, 76, 1001 (2002).
13. M. Palomar, G. Alarcón, M.T. Ramírez, M. Romero, A. Rojas and S. Corona, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 69(1-2), 91 (2011).
14. A. Fragoso, E. Almirall, R. Cao, L. Echegoyen and R. González, The Royal Society of Chemistry, 2230 (2004).
15. A.E. Sánchez, S. Corona, G. Alarcón, A. Rojas, M.T. Ramírez and M.A. Romero, Spectrochimica Acta, A(59), 3193 (2003).
16. a) A. D. Becke, J. Chem. Phys., 98, 5648 (1993).
17. b) C. Lee, W. Yang, R. G. Parr, Phys. Rev. B, 37, 785 (1988).
18. Frish M. J., et al. Gaussian 03, Revision B.3; Gaussian, Inc. Pittsburg, PA (2003).
19. M. J. Frish, et al. Gaussian 09, Revision v.01; Gaussian, Inc. Pittsburg, PA (2009).
20. http://xray.bmc.uu.se/hicup/BCD/
21. G.A. Rosquete, S. Corona, G. Alarcón, M.T. Ramírez, M. Romero and M. E. Palomar-Pardavé, Electrochemistry and Materials Engineering, 1, 235 (2007).
22. a)W. Snor, E. Liedl, P. Weiss, A. Karpfen, H. Viernstein and P. Wolschann, Chemical Physics Letters, 441, 159 (2007);
23. A. Karpfen, E. Liedl, W. Snor, H. Viernstein, P. Weiss-Greiler, P. Wolschann. Monatsh Chem 139, 363 (2008).
24. C. Betzel, W. Saenger, B.E. Hingerty and G.M. Brown, Journal of the American Chemical Society, 106(24), 7545 (1984).
25. R. Djemil and D. Khatmi, Journal of Computational Chemistry, 11, 431 (1990).
26. B.H. Besler, K.M. Merz and P.A. Kollman, Can. J. Chem, 89, 1519 (2011).
27. U.C. Singh and P.A. Kollman, Journal of Computational Chemistry, 5, 129 (1984).
28. D.J. Lavrato, J. K. Terlouw, G. A. McGibbon, T. K. Dargel, W. Koch and H. Schwarz, Int. J. Mass Spectrom, 179/180, 7 (1998).
29. M. T. Nguyen, R. Nguyen and H. T. Le, J. Phys. Chem. A, 103, 5758 (1999).
30. Yan Zhao and Donald G. Truhlara, J. Chem. Phys,. 124, 224105 (2006).