A DFT study of the interaction between butein anion and metal cations (M = Mg2+, Cr2+, Fe2+, and Cu2+): Taking an insight into its chelating property

Journal of Molecular Structure: THEOCHEM

Volumn 849, Issue 1-3, 2008, Pages 33-36

  Guo, Ping ^a   Chen, Weijun ^a   Song, Jirong ^a   Cao, Wei ^a   Tian, Chengrui ^b  

^a NORTHWEST UNIVERSITY   (China)

^b SHAANXI NORMAL UNIVERSITY   (China)

Author keywords

Antioxidant; Butein; Chelate; Metal cation

Indexed keywords

EID: 38049017564     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.10.017     Document Type: Article

References (29)

1. Eswaramoorthy S., Kumaran D., and Keller J. Biochemistry 43 (2004) 2209-2216
2. Saderholm M.J., Hightower K.E., and Fierke C.A. Biochemistry 39 (2000) 12398-12405
3. Poyner R.R., Cleland W.W., and Reed G.H. Biochemistry 40 (2001) 8009-8017
4. Southworth B.A., and Voelker B.M. Environ. Sci. Technol. 37 (2003) 1130-1136
5. Kehrer J.P. Toxicology 149 (2000) 43-50
6. Lloyd D.R., and Phillips D.H. Mutat. Res.-Fund. Mol. Mech. Mutagenesis 424 (1999) 23-36
7. Hermes-Lima M., Ponka P., and Schulman H.M. Biochim. Biophys. Acta (BBA) General Subjects 1523 (2000) 154-160
8. Finefrock A.E., Bush A.I., and Doraiswamy P.M. J. Am. Geriatr. Soc. 51 (2003) 1143-1148
9. Chen Z.J., Kuo S.C., Chan S.C., Ko F.N., and Teng C.M. Biochim. Biophys. Acta 1392 (1998) 291
10. Chen W.J., Song J.R., Guo P., and Wen Z.Y. J. Mol. Struct. Theochem. 763 (2006) 161
11. Chen W.J., Guo P., Song J.R., Cao W., and Bian J. Bioorg. Med. Chem. Lett. 16 (2006) 3582
12. J Chen W., Song J.R., Guo P., Cao W., and Bian J. Bioorg. Med. Chem. Lett. 16 (2006) 5874
13. Srinivas Reddy A., and Narahari Sastry G. J. Phys. Chem. A 109 (2005) 8893-8903
14. Allen R.N., Shukla M.K., Burda J.V., and Leszczynski J. J. Phys. Chem. A 110 (2006) 6139-6144
15. Liang J., Li H.Y., Liu Y., and Cheng S. J. Mol. Struct. Theochem. 725 (2005) 151-155
16. Kohn W., and Sham L.J. Phys. Rev. A1133 (1965) 140
17. Becke A.D. J. Chem. Phys. 98 (1993) 5648
18. Lee C., Yang W., and Parr G. Phys. Rev. B37 (1988) 785
19. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
20. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270
21. Leopoldini M., Russo N., Chiodo S., and Toscano M. J. Agric. Food Chem. 54 (2006) 6343-6351
22. Bader R.F.W. Atoms in Molecules: A Quantum Theory (1990), Oxford University Press, Oxford
23. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
24. Tomasi M.S. J. Chem. Phys. 19 (1970) 553
25. Fernandez M.T., and Mira L. J. Inorg. Biochem. 92 (2002) 105-115
26. Lapouge C., Dangleterre L., and Cornard J.P. J. Phys. Chem. A 110 (2006) 12494-12500
27. Brown J.E., Khodr H., Hider R.C., and Rive-Evans C.A. Biochem. J. 330 (1998) 1173-1178
28. Tüǧsüz T., Doǧan M., and Sevin F. J. Mol. Struct. Theochem. 728 (2005) 103-109
29. Fukui K. Science 218 (1982) 747