Citation: SONG Xiao-Li, GAO Li-Guo, CAO Wei. Chelation between Luteolin and Cd(Ⅱ) Ion： Spectroscopic Studies and Theoretical Calculations[J]. Chinese Journal of Inorganic Chemistry, ;2013, 29(9): 1985-1992. doi: 10.3969/j.issn.1001-4861.2013.00.278 shu

Chelation between Luteolin and Cd(Ⅱ) Ion： Spectroscopic Studies and Theoretical Calculations

1.
1 College of Chemistry and Chemical Engineering, Yulin University, Yulin, Shaanxi 719000, China;

Received Date: 21 March 2013
Available Online: 10 May 2013
Fund Project: 国家自然科学基金(No.31272510) (No.31272510)陕西省教育厅科学研究计划项目(No.2010JK926)资助项目。 (No.2010JK926)

In order to locate the exact chelation site, the chelation between luteolin and Cd(Ⅱ) ion was studied using theoretical methods. Various complexes, formed by natural and deprotonated luteolin chelating with Cd(Ⅱ) and hydrated Cd(Ⅱ) ion, respectively, were studied by using "Density Functional Theory"(DFT) method. The results indicate that Cd(Ⅱ) ion is connected with luteolin at the 5-hydroxy-4-keto site in the formed complexes and that deprotonated luteolin has stronger chelating power than natural luteolin. The reactivity differences between luteolin and luteolin-Cd(Ⅱ) complexes were observed through comparison of their Conceptual DFT reactivity indices. In addition to the theoretical studies, the experiments were performed to compare with the theoretical conclusions. Meanwhile, luteolin-Cd(Ⅱ) complex was synthesized, and the chelation site was analyzed using IR and UV/Vis spectroscopy. The experimental results have the same conclusions as those by theoretical studies.
- coordination chemistry;coordination compounds;Cd(Ⅱ) ion;luteolin;chelating site;conceptual DFT
1. [1]
  [1] Leopoldini M, Pitarch I, Toscano M, et al. J. Phys. Chem. A, 2004,108:92-96
2. [2]
  [2] Webb M R, Ebeler S E. Biochem. J. 2004,384:527-541
3. [3]
  [3] Russo N, Toscano M, Uccella N. J. Agric. Food Chem., 2000, 48:3232-3237
4. [4]
  [4] Wolfbeis O S, Begum M, Geiger H. Monatsh. Chem., 1987, 118:1403-4111
5. [5]
  [5] Chen W J, Sun S F, Cao W, et al. J. Mol. Struct., 2009,918: 194-197
6. [6]
  [6] Shimoi K, Masuda S, Furugori M, et al. Carcinogenesis, 1994,15:2669-2672
7. [7]
  [7] Yasukawa K, Takido M, Nakagawa S, et al. Chem. Pharmaceut. Bull., 1989,37:1071-1073
8. [8]
  [8] Yamamoto H, Sakakibara J, Sekiya K, et al. J. Agric. Food Chem., 1998,46:862-865
9. [9]
  [9] Ferriola P C, Cody V, Middleton E Jr. Biochem. Pharmacol., 1989,38:1617-1624
10. [10]
  [10] Akesson A, Julin B, Wolk A. Cancer Res, 2008,68:6435-6441
11. [11]
  [11] Waalkes M P. J. Inorg. Biochem., 2000,79:241-244
12. [12]
  [12] Parr R G, Yang W. Density Functional Theory of Atoms and Molecules, Oxford :Oxford University Press, 1989:13
13. [13]
  [13] Geerlings P, De Proft F, Langenaeker W. Chem. Rev., 2003,103:1793-1873
14. [14]
  [14] Noorizadeh S, Maihami H. J. Mol. Struct. (THEOCHEM.), 2006,763:133-144
15. [15]
  [15] Noorizadeh S. Chin. J. Chem., 2007,25:1439-1444
16. [16]
  [16] Janak J F. Phys. Rev. B, 1978,18:7165-7168
17. [17]
  [17] Parr R G, Szentpály L V, Liu S. J. Am. Chem. Soc., 1999, 121:1922-1924
18. [18]
  [18] Parr R G, Yang W J. J. Am. Chem. Soc., 1984,106:4049-4050
19. [19]
  [19] Ayers P W, Levy M. Theor. Chem. Acc., 2000,103:353-360
20. [20]
  [20] Senet P. J. Chem. Phys., 1997,107:2516-2524
21. [21]
  [21] Chatterjee A. Int. J. Quantum. Chem., 2011,111:3821-3830
22. [22]
  [22] Ayers P W, Anderson J S M, Jawed Z, et al. Phys. Chem. Chem. Phys., 2005,7:1918-1925
23. [23]
  [23] Ayers P W, Anderson J S M, Bartolotti L J. Int. J. Quantum Chem., 2005,101:520-534
24. [24]
  [24] (a) Roos G, Loverix S, Brosens E, et al. ChemBioChem., 2006,7:981-987 (b) Campodonico P R, Andres J, Contreras R, et al. Chem. Phys. Lett.. 2007,439:177-182 (c) Guerra D, Castillo R, Andres J, et al. Chem. Phys. Lett.. 2006,424:437-442 (d) Campodonico P R, Andres J, Contreras R, et al. Chem. Phys. Lett., 2008,464:271-275
25. [25]
  [25] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 03, Revision D.01, Gaussian, Inc., Wallingford CT, 2004.
26. [26]
  [26] Becke A D. J. Chem. Phys., 1993,98:1372-1377
27. [27]
  [27] Stephens P J, Devlin F J, Frisch M J, et al. J. Phys. Chem., 1994,98:11623-11627
28. [28]
  [28] Cimas A, Rayón V M, Aschi M, et al. J. Chem. Phys., 2005, 123:14312-114322
29. [29]
  [29] Gao L G, Song X L, Lü L L, et al. Comput. Theor. Chem.. 2011,968:31-38
30. [30]
  [30] Xia Y, Yin D L, Rong C Y, et al. J. Phys. Chem. A, 2008, 112:9970-9975
31. [31]
  [31] Chattaraj P K, Cedillo A, Parr R G. J. Chem. Phys., 1995,103:7645-7647
32. [32]
  [32] Nakamoto K. Infrared and Raman Spectra of Inorganic and Coordination Compounds. New York: Wiley, 1986:21
33. [33]
  [33] Markham K R. Techniques of Flavonoids Identification. London: Academic Press, 1982:104
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沈阳化工大学材料科学与工程学院沈阳 110142

Chelation between Luteolin and Cd(Ⅱ) Ion： Spectroscopic Studies and Theoretical Calculations

南开大学师唯/华北电力大学（保定）刘景维：二维配位聚合物中有序的亲锂冠醚位点用于无枝晶锂沉积

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通讯作者: 陈斌, bchen63@163.com