Citation: GAO Si-Min, WANG Hong-Yan, LIN Yue-Xia, WU Ying-Xi, HU Jun. Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B₂ Molecule Adsorbed on Silver Cluster[J]. Acta Physico-Chimica Sinica, ;2014, 30(10): 1916-1922. doi: 10.3866/PKU.WHXB201407211 shu

Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B₂ Molecule Adsorbed on Silver Cluster

1.
1. Division of Foundation Courses, E-Mei Campus, Southwest Jiaotong University, E-Mei 614202, Sichuan Province, P. R. China;
2. School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, P. R. China

Received Date: 22 May 2014
Available Online: 21 July 2014
Fund Project:

The surface-enhanced Raman scattering (SERS) spectrum and pre-resonance Raman spectra of Aflatoxin B₂ (AFB₂) adsorbed on silver cluster were calculated by density functional theory (DFT) methods with the B3LYP/6-311G (d,p)(C, H, O)/LanL2DZ(Ag) basis set. The results show that the SERS enhancement factors were 10², and this belongs to the C=O stretching vibration of the pyrane ring because of the larger static polarizability of the complex. The pre-resonance Raman spectra of the AFB₂-Ag₂ complex were explored at 1144 and 544 nm, which corresponds to charge transfer excitation energy, and its enhancement factor was 10². The pre-resonance enhancement factor was 10⁴ when incident light charge transfer pre-resonant wavelengths of 432 and 410 nm were selected. These come from a charge transfer resonance enhancement between the silver cluster and the AFB₂ molecule. Therefore, changing the wavelength of the incident light is more conducive to the trace detection of the strong carcinogen AFB₂.
- Aflatoxin B₂,
- Surface-enhanced Raman scattering spectrum,
- Pre-resonant Raman spectrum,
- Density functional theory
1. [1]
  
  (1) Kurtzman, C. P.; Horn, B.W.; Hesseltine, C.W. Antonie Van Leeuwenhoek Journal of Microbiology 1987, 53, 147. doi: 10.1007/BF00393843
2. [2]
  (2) van Egmond, H.; Schothorst, R.; Jonker, M. Ana. Bioana. Chem. 2007, 389, 147. (3) Essigmann, J. M.; Croy, R. G.; Nadzan, A. M.; Busby,W. F.; Reinhold, V. N.; Buchi, G.;Wogan, G. N. Proc. Nati. Acad. Sci. U. S. A. 1977, 74, 1870. doi: 10.1073/pnas.74.5.1870
3. [3]
  (4) Benasutti, M.; Ejadi, S.; Whitlow, M. D.; Loechler, E. L. Biochemistry 1988, 27, 472. doi: 10.1021/bi00401a068
4. [4]
  (5) Han, Z. Acta-Agriculturae Shanghai 2012, 1, 141. [韩铮. 上海农业学报, 2012, 1, 141.] (6) Fleischmann, M.; Hendra, P. J.; McQuilla, A. J. Chem. Phys. Lett. 1974, 26, 163. (7) Albrecht, M. G.; Creighton, J. A. J. Am. Chem. Soc. 1977, 99, 5215. doi: 10.1021/ja00457a071
5. [5]
  (8) Jeanmaire, D. L.; Van Duyne, R. P. J. Electroanal. Chem. 1977, 84, 1. (9) Cao, X.W.; Liu,W. H.; Li, X. R.;Wang, R.;Wu, X. Q. Acta Phys. -Chim. Sin. 2011, 27 (7), 1600. [曹晓卫, 刘文华, 李欣然, 王荣, 吴霞琴. 物理化学学报, 2011, 27 (7), 1600.] doi: 10.3866/PKU.WHXB20110723
6. [6]
  (10) Moskovits, M. Rev. Mod. Phys. 1985, 57, 783. (11) Gu, R. A.; Shen, X. Y.;Wang, M. Acta Phys. -Chim. Sin. 2005, 21, 1117. [顾仁敖, 沈晓英, 王梅. 物理化学学报, 2005, 21, 1117.] doi: 10.3866/PKU.WHXB20051011
7. [7]
  (12) Cui, L.; Ren, B.; Tian, Z. Q. Acta Phys. -Chim. Sin. 2010, 26, 397. [崔丽, 任斌, 田中群. 物理化学学报, 2010, 26, 397.] doi: 10.3866/PKU.WHXB20100136
8. [8]
  (13) Wu, X. Z.; Pei, M. S.;Wang, L. Y.; Li, X. N.; Tao, X. T. Acta Phys. -Chim. Sin. 2010, 26, 3095. [吴馨洲, 裴梅山, 王庐岩,李肖男, 陶绪唐. 物理化学学报, 2010, 26, 3095.] doi: 10.3866/PKU.WHXB20101132
9. [9]
  (14) Sun, M. T.; Zhang, Z. L.; Chen, L.; Sheng, S. X; Xu, H. X. Advanced Optical Materials 2013, 25, 449. doi: 10.1002/adma.201201687
10. [10]
  (15) Tong, L. M.; Xu, H. X.; Kall, M. MRS Bull. 2014, 39, 163. doi: 10.1557/mrs.2014.2
11. [11]
  (16) Biswas, N.; Thomas, S.; Kapoor, S.; Mishra, A.;Wategaonkar, S.; Venkateswaran, S.; Mukherjee, T. J. Phys. Chem. A 2006, 110, 1805. doi: 10.1021/jp055330q
12. [12]
  (17) Zhuang, Z. P.; Cheng, J. B.;Wang, X.; Ruan,W. D.; Zhao, B. Spectrochimica Acta A 2007, 67, 509. doi: 10.1016/j.saa.2006.08.008
13. [13]
  (18) Sun, M. T.; Liu, S. S.; Chen, M. D.; Xu, H. X. J. Raman Spectrosc. 2009, 40, 137. doi: 10.1002/jrs.v40:2
14. [14]
  (19) Liu, S. S.; Zhao, X. M.; Li, Y. Z.; Zhao, X. H.; Chen, M. D. Spectrochimica Acta A 2009, 73, 382. doi: 10.1016/j.saa.2009.02.036
15. [15]
  (20) Zhuang, Z. P.; Ruan,W. D.; Nan, J.; Shang, X. H.;Wang, X.; Zhao, B. Vib. Spectrosc. 2009, 49, 118. doi: 10.1016/j.vibspec.2008.05.007
16. [16]
  (21) Kathryn, E. B.; Christine, M. A. J. Phys. Chem. A 2010, 114, 8858. (22) Sun, L.; Bai, Q. F.; Zhang, H. X. Acta Phys. -Chim. Sin. 2011, 27, 1335. [孙磊, 白福全, 张红星. 物理化学学报, 2011, 27, 1335.] doi: 10.3866/PKU.WHXB20110602
17. [17]
  (23) Ramírez-Galicia, G.; Garduño-Juárez, R.; Gabriela Vargas, M. Photochem. Photobiol. Sci. 2007, 6, 110. doi: 10.1039/b614107b
18. [18]
  (24) Billes, F.; Móricz, Á. M.; Tyihák, E.; Mikosch, H. Spectrochimica Acta A 2006, 64, 600. doi: 10.1016/j.saa.2005.07.063
19. [19]
  (25) Nicolás-Vázquez, I.; Méndez-Albores, A.; Moreno-Martínez, E.; Miranda, R.; Castro, M. Arch Environ. Contam. Toxicol. 2010, 59, 393. doi: 10.1007/s00244-010-9501-x
20. [20]
  (26) Gao, S. M.;Wang, H. Y.; Lin, Y. X.; Li, R. H. Acta Phys. -Chim. Sin. 2012, 28, 2044. [高思敏, 王红艳, 林月霞, 李汝虎.物理化学学报, 2012, 28, 2044.] doi: 10.3866/PKU.WHXB201205311
21. [21]
  (27) Wu, X. M.; Gao, S. M.;Wang, J. S.;Wang, H. Y.; Huang, Y.W.; Zhao, Y. P. Analyst 2012, 137, 4226. doi: 10.1039/c2an35378d
22. [22]
  (28) Becke, A. D. Phys. Rev. A 1988, 38, 3098. doi: 10.1103/PhysRevA.38.3098
23. [23]
  (29) Becke, A. D. J. Chem. Phys. 1993, 98, 5648. doi: 10.1063/1.464913
24. [24]
  (30) Lee, C.; Yang,W.; Parr, R. G. Phys. Rev. B 1988, 37, 785. doi: 10.1103/PhysRevB.37.785
25. [25]
  (31) Hay, P. Y.;Wadt,W. R. J. Chem. Phys. 1985, 82, 270. doi: 10.1063/1.448799
26. [26]
  (32) Neugebauer, J.; Reiher, M.; Kind, C.; Hess, B. A. J. Comput. Chem. 2002, 23, 895. (33) Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al. Gaussian 09, Revision A.01; Gaussian Inc.:Wallingford, CT, 2004. (34) Baetzold R. C. J. Chem. Phys. 1971, 55, 4363. doi: 10.1063/1.1676761
27. [27]
  (35) Ho, J.; Ervin, K.; Lineberger,W. J. Chem. Phys. 1990, 93, 6987. doi: 10.1063/1.459475
28. [28]
  (36) Tian, D. X.; Zhang, H. L.; Zhao, J. J. Solid State Commun. 2007, 144, 174. doi: 10.1016/j.ssc.2007.05.020
29. [29]
  (37) Liu, X. M. Theoretical Studies on Surface-enhanced Raman Spectroscopy (SERS) of p-Aminothiophenol (PATP). Master Dissertation, Xiamen University, Xiamen, 2008. [刘秀敏. 对巯基苯胺分子的表面增强拉曼光谱的理论研究[D]. 厦门: 厦门大学, 2008.]
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Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B2 Molecule Adsorbed on Silver Cluster

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Surface-Enhanced Raman Scattering Mechanism of Aflatoxin B₂ Molecule Adsorbed on Silver Cluster