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
1. [1]
  Ming Li , Zhaoyin Li , Mengzhu Liu , Shaoxiang Luo . Unveiling the Artistry of Mordant Dyeing: The Coordination Chemistry Beneath. University Chemistry, 2024, 39(5): 258-265. doi: 10.3866/PKU.DXHX202311085
2. [2]
  Keweiyang Zhang , Zihan Fan , Liyuan Xiao , Haitao Long , Jing Jing . Unveiling Crystal Field Theory: Preparation, Characterization, and Performance Assessment of Nickel Macrocyclic Complexes. University Chemistry, 2024, 39(5): 163-171. doi: 10.3866/PKU.DXHX202310084
3. [3]
  Xinting XIONG , Zhiqiang XIONG , Panlei XIAO , Xuliang NIE , Xiuying SONG , Xiuguang YI . Synthesis, crystal structures, Hirshfeld surface analysis, and antifungal activity of two complexes Na(Ⅰ)/Cd(Ⅱ) assembled by 5-bromo-2-hydroxybenzoic acid ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1661-1670. doi: 10.11862/CJIC.20240145
4. [4]
  Zuozhong Liang , Lingling Wei , Yiwen Cao , Yunhan Wei , Haimei Shi , Haoquan Zheng , Shengli Gao . Exploring the Development of Undergraduate Scientific Research Ability in Basic Course Instruction: A Case Study of Alkali and Alkaline Earth Metal Complexes in Inorganic Chemistry. University Chemistry, 2024, 39(7): 247-263. doi: 10.3866/PKU.DXHX202310103
5. [5]
  Kun Li , Na Gao , Shuangyan Huan , Yuzhi Wang . Design of Ideological and Political Education for the Experiment of Detecting Cadmium with Anodic Stripping Voltammetry. University Chemistry, 2024, 39(2): 155-161. doi: 10.3866/PKU.DXHX202307068
6. [6]
  Hao XU , Ruopeng LI , Peixia YANG , Anmin LIU , Jie BAI . Regulation mechanism of halogen axial coordination atoms on the oxygen reduction activity of Fe-N₄ site: A density functional theory study. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 695-701. doi: 10.11862/CJIC.20240302
7. [7]
  Meifeng Zhu , Jin Cheng , Kai Huang , Cheng Lian , Shouhong Xu , Honglai Liu . Classical Density Functional Theory for Understanding Electrochemical Interface. University Chemistry, 2025, 40(3): 148-152. doi: 10.12461/PKU.DXHX202405166
8. [8]
  Quanguo Zhai , Peng Zhang , Wenyu Yuan , Ying Wang , Shu'ni Li , Mancheng Hu , Shengli Gao . Reconstructing the “Fundamentals of Coordination Chemistry” in Inorganic Chemistry Course. University Chemistry, 2024, 39(11): 117-130. doi: 10.12461/PKU.DXHX202403065
9. [9]
  .
  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
  . CCS Chemistry, 2025, 7(0): -.
10. [10]
  Ping Ye , Lingshuang Qin , Mengyao He , Fangfang Wu , Zengye Chen , Mingxing Liang , Libo Deng . 荷叶衍生多孔碳的零电荷电位调节实现废水中电化学捕集镉离子. Acta Physico-Chimica Sinica, 2025, 41(3): 2311032-. doi: 10.3866/PKU.WHXB202311032
11. [11]
  Xuyang Wang , Jiapei Zhang , Lirui Zhao , Xiaowen Xu , Guizheng Zou , Bin Zhang . Theoretical Study on the Structure and Stability of Copper-Ammonia Coordination Ions. University Chemistry, 2024, 39(3): 384-389. doi: 10.3866/PKU.DXHX202309065
12. [12]
  Kaimin WANG , Xiong GU , Na DENG , Hongmei YU , Yanqin YE , Yulu MA . Synthesis, structure, fluorescence properties, and Hirshfeld surface analysis of three Zn(Ⅱ)/Cu(Ⅱ) complexes based on 5-(dimethylamino) isophthalic acid. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1397-1408. doi: 10.11862/CJIC.20240009
13. [13]
  Gonglan Ye , Xia Yin , Feng Xu , Peng Yang , Yingpeng Wu , Huilong Fei . Innovations in “Four-in-One” Inorganic Chemistry Education. University Chemistry, 2024, 39(8): 136-141. doi: 10.3866/PKU.DXHX202401071
14. [14]
  Hong Wu , Yuxi Wang , Hongyan Feng , Xiaokui Wang , Bangkun Jin , Xuan Lei , Qianghua Wu , Hongchun Li . Application of Computational Chemistry in the Determination of Magnetic Susceptibility of Metal Complexes. University Chemistry, 2025, 40(3): 116-123. doi: 10.12461/PKU.DXHX202405141
15. [15]
  Lulu DONG , Jie LIU , Hua YANG , Yupei FU , Hongli LIU , Xiaoli CHEN , Huali CUI , Lin LIU , Jijiang WANG . Synthesis, crystal structure, and fluorescence properties of Cd-based complex with pcu topology. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 809-820. doi: 10.11862/CJIC.20240171
16. [16]
  Liyang ZHANG , Dongdong YANG , Ning LI , Yuanyu YANG , Qi MA . Crystal structures, luminescent properties and Hirshfeld surface analyses of three cadmium(Ⅱ) complexes based on 2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)benzoate. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1943-1952. doi: 10.11862/CJIC.20240079
17. [17]
  Jinfeng Chu , Yicheng Wang , Ji Qi , Yulin Liu , Yan Li , Lan Jin , Lei He , Yufei Song . Comprehensive Chemical Experiment Design: Convenient Preparation and Characterization of an Oxygen-Bridged Trinuclear Iron(III) Complex. University Chemistry, 2024, 39(7): 299-306. doi: 10.3866/PKU.DXHX202310105
18. [18]
  Li Zhou , Dongyan Tang , Yunchen Du . Focusing on the Cultivation of Outstanding Talents: A “Five in One” Approach to Promoting the Construction of Chemical Experimental and Practical Teaching System. University Chemistry, 2024, 39(7): 121-128. doi: 10.12461/PKU.DXHX202405037
19. [19]
  Tingyu Zhu , Hui Zhang , Wenwei Zhang . Exploration and Practice of Ideological and Political Education in the Course of Experiments on Chemical Functional Molecules: Synthesis and Catalytic Performance Study of Chiral Mn(III)Cl-Salen Complex. University Chemistry, 2024, 39(4): 75-80. doi: 10.3866/PKU.DXHX202311011
20. [20]
  Cheng Zheng , Shiying Zheng , Yanping Zhang , Shoutian Zheng , Qiaohua Wei . Synthesis, Copper Content Analysis, and Luminescent Performance Study of Binuclear Copper (I) Complexes with Isomeric Luminescence Shift: A Comprehensive Chemical Experiment Recommendation. University Chemistry, 2024, 39(7): 322-329. doi: 10.3866/PKU.DXHX202310131

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(535)
HTML views(62)

通讯作者: 陈斌, bchen63@163.com

1.
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

Metrics

通讯作者: 陈斌, bchen63@163.com