Study of metal ions (Na+, K+) interaction with different conformations of glycine molecule

International Journal of Quantum Chemistry

Volumn 102, Issue 4, 2005, Pages 427-434

  Selvarengan, P ^a   Kolandaivel, P ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Chemical hardness; Condensed fukui functions; Density functional theory calculations; Glycine; Metal ions

Indexed keywords

COMPLEXATION; COMPUTATIONAL METHODS; CONFORMATIONS; HYDROGEN BONDS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; PROTEINS; STRUCTURE (COMPOSITION);

CHEMICAL HARDNESS; CONDENSED FUKUI FUNCTIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; GLYCINE; METAL IONS;

AMINO ACIDS;

EID: 17644382669     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20413     Document Type: Article

References (38)

1. Glusker, J. P. Adv Protein Chem 1991, 42, 1.
2. Roux, B.; Karplus, M. J Comput Chem 1995, 16, 690.
3. Shoeib, T.; Rodriquez, C. P.; Siu, K. W. M.; Hopkinson, A. C. Phys Chem Chem Phys 2001, 3, 853.
4. Busch, K. L.; Glish, G. L.; McLuckey, S. A. 1988, Mass Spectrometry; VCH: New York.
5. Jensen, F. J Am Chem Soc 1992, 114, 9533.
6. Chu, I. K.; Guo, X.; Lau, T.-C.; Siu, K. W. M. Anal Chem 1999, 71, 2364.
7. Lee, S.-W.; Kim, H. S.; Beauchamp, J. L.; J Am Chem Soc 1998, 120, 3188.
8. Lin, T.; Glish, G. L. Anal Chem 1998, 70, 5162.
9. Bojesen, G.; Breindahl, T.; Andersen, U. N. Org Mass Spectrom 1993, 28, 1448.
10. Klassen, J. S.; Anderson, S. G.; Blades, A. T.; Kebarle, P. J Phys Chem 1996, 100, 14218.
11. Lee, V. W.-M.; Li, H.; Lau, T.-C.; Guevrement, R.; Siu, K. W. M. J Am Chem Soc Mass Spectrom 1998, 9, 760.
12. Gerda, B. A.; Hoyau, S.; Ohanessian, G.; Wesdemiotis, C. J Am Chem Soc 1998, 120, 2437.
13. Hoyau, S.; Norrman, K.; McMahon, T. B.; Ohanessian, G. J Am Chem Soc 1999, 121, 8864.
14. Hoyau, S.; Ohanessian, G. Chem Eur J 1998, 4, 1561.
15. Marino, T.; Russo, N.; Toscano, M. J Inorg Biochem 2000, 79, 179.
16. Pulkkinen, S.; Noguera, M.; Rodriguez-Santiago, L.; Sodupe, M.; Bertran, J. Chem Eur J 2000, 6, 4393.
17. Wong, C. H. S.; Siu, F. M.; Ma, N. L.; Tsang, C. W. J Mol Struct (Theochem) 2002, 588, 9.
18. Wong, C. H. S.; Ma, N. L.; Tsang, C. W. Chem Eur J 2002, 8, 4909.
19. Ai, H.; Bu, Y.; Han, K. J Chem Phys 2002, 117, 7593.
20. Moision, R. M.; Armentrout, P. B. J Phys Chem A 2002, 106, 10350.
21. Kohtani, M.; Kinnear, B. S.; Jarrold, M. F. J Am Chem Soc 2000, 122, 12377.
22. Taraszka, J. A.; Counterman, A. E.; Clemmer, D. E. Int J Mass Spectrom 2001, 204, 87.
23. Császár, A. G. J Am Chem Soc 1992, 114, 9568.
24. Csaszár, A. G.; Perczel, A. Prog Biophys Mol Biol 1999, 71, 243.
25. Wyttenbach, T.; Witt, M.; Bowers, M. T. Int J Mass Spectrom 1999, 182/183, 243.
26. Jockush, R. A.; Price, W. D.; Williams, E. R. J Phys Chem A 1999, 103, 9266.
27. Cerda, B. A.; Wesdemiotis, C. Analyst 2000, 125, 657.
28. Becke, A. D. J Chem Phys 1993, 98, 5648.
29. Lee, C.; Yang, W.; Parr, R. G. Phys Rev B, 1988, 37, 785.
30. Perdew, J. P.; Wang, Y. Phys Rev B 1992, 45, 13244.
31. Boys, S. F.; Bernardi, F. Mol Phys 1970, 19, 553.
32. Del Bene, J. E.; Mettee, H. D.; Frisch, M. J.; Luke, B. T.; Pople, J. A. J Phys Chem 1983, 87, 3279.
33. Yang, W.; Mortier, W. J. J Am Chem Soc 1986, 108, 5708.
34. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery Jr, J. A.; Stratmann, R. E.; Burant, C.; Dapprich, S.; Millam, J. M.; Daniels, J. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S,; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Rega, N.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill,. P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle,.E. S.; Pople, J. A. Gaussian 98 (Revision A.11.2), Gaussian: Pittsburgh, PA, 2001.
35. Schaftenaar, G.; Noordik, J. H. J Comput Aid Mol Design 2000, 14, 123.
36. Rogalewicz, F.; Ohanessian, G.; Gresh, N. J Comp Chem 2000, 21, 963.
37. Selvarengan, P.; Kolandaivel, P. J Mol Struct (Theochem) 2004, 671, 77.
38. Senthilkumar, K.; Kolandaivel, P. Mol Phys 2002, 100, 3817.