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.]
1. [1]
  Wei Peng , Baoying Wen , Huamin Li , Yiru Wang , Jianfeng Li . Exploration and Practice on Raman Scattering Spectroscopy Experimental Teaching. University Chemistry, 2024, 39(8): 230-240. doi: 10.3866/PKU.DXHX202312062
2. [2]
  Jie ZHAO , Sen LIU , Qikang YIN , Xiaoqing LU , Zhaojie WANG . Theoretical calculation of selective adsorption and separation of CO₂ by alkali metal modified naphthalene/naphthalenediyne. Chinese Journal of Inorganic Chemistry, 2024, 40(3): 515-522. doi: 10.11862/CJIC.20230385
3. [3]
  Zhuomin Zhang , Hanbing Huang , Liangqiu Lin , Jingsong Liu , Gongke Li . Course Construction of Instrumental Analysis Experiment: Surface-Enhanced Raman Spectroscopy for Rapid Detection of Edible Pigments. University Chemistry, 2024, 39(2): 133-139. doi: 10.3866/PKU.DXHX202308034
4. [4]
  Liang MA , Honghua ZHANG , Weilu ZHENG , Aoqi YOU , Zhiyong OUYANG , Junjiang CAO . Construction of highly ordered ZIF-8/Au nanocomposite structure arrays and application of surface-enhanced Raman spectroscopy. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1743-1754. doi: 10.11862/CJIC.20240075
5. [5]
  Jingyi Chen , Fu Liu , Tiejun Zhu , Kui Cheng . Practice of Integrating Ideological and Political Education into Raman Spectroscopy Analysis Experiment Course. University Chemistry, 2024, 39(2): 140-146. doi: 10.3866/PKU.DXHX202310111
6. [6]
  Zhaoyue Lü , Zhehao Chen , Yi Ni , Duanbin Luo , Xianfeng Hong . Multi-Level Teaching Design and Practice Exploration of Raman Spectroscopy Experiment. University Chemistry, 2024, 39(11): 304-312. doi: 10.12461/PKU.DXHX202402047
7. [7]
  Maitri Bhattacharjee , Rekha Boruah Smriti , R. N. Dutta Purkayastha , Waldemar Maniukiewicz , Shubhamoy Chowdhury , Debasish Maiti , Tamanna Akhtar . Synthesis, structural characterization, bio-activity, and density functional theory calculation on Cu(Ⅱ) complexes with hydrazone-based Schiff base ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1409-1422. doi: 10.11862/CJIC.20240007
8. [8]
  Xiaochen Zhang , Fei Yu , Jie Ma . 多角度数理模拟在电容去离子中的前沿应用. Acta Physico-Chimica Sinica, 2024, 40(11): 2311026-. doi: 10.3866/PKU.WHXB202311026
9. [9]
  Yuyang Xu , Ruying Yang , Yanzhe Zhang , Yandong Liu , Keyi Li , Zehui Wei . Research Progress of Aflatoxins Removal by Modern Optical Methods. University Chemistry, 2024, 39(11): 174-181. doi: 10.12461/PKU.DXHX202402064
10. [10]
  Min WANG , Dehua XIN , Yaning SHI , Wenyao ZHU , Yuanqun ZHANG , Wei ZHANG . Construction and full-spectrum catalytic performance of multilevel Ag/Bi/nitrogen vacancy g-C₃N₄/Ti₃C₂T_x Schottky junction. Chinese Journal of Inorganic Chemistry, 2024, 40(6): 1123-1134. doi: 10.11862/CJIC.20230477
11. [11]
  Yangrui Xu , Yewei Ren , Xinlin Liu , Hongping Li , Ziyang Lu . 具有高传质和亲和表面的NH₂-UIO-66基疏水多孔液体用于增强CO₂光还原. Acta Physico-Chimica Sinica, 2024, 40(11): 2403032-. doi: 10.3866/PKU.WHXB202403032
12. [12]
  Tianlong Zhang , Rongling Zhang , Hongsheng Tang , Yan Li , Hua Li . Online Monitoring and Mechanistic Analysis of 3,5-diamino-1,2,4-triazole (DAT) Synthesis via Raman Spectroscopy: A Recommendation for a Comprehensive Instrumental Analysis Experiment. University Chemistry, 2024, 39(6): 303-311. doi: 10.3866/PKU.DXHX202312006
13. [13]
  Chun-Lin Sun , Yaole Jiang , Yu Chen , Rongjing Guo , Yongwen Shen , Xinping Hui , Baoxin Zhang , Xiaobo Pan . Construction, Performance Testing, and Practical Applications of a Home-Made Open Fluorescence Spectrometer. University Chemistry, 2024, 39(5): 287-295. doi: 10.3866/PKU.DXHX202311096
14. [14]
  Tianlong Zhang , Jiajun Zhou , Hongsheng Tang , Xiaohui Ning , Yan Li , Hua Li . Virtual Simulation Experiment for Laser-Induced Breakdown Spectroscopy (LIBS) Analysis. University Chemistry, 2024, 39(6): 295-302. doi: 10.3866/PKU.DXHX202312049
15. [15]
  Heng Chen , Longhui Nie , Kai Xu , Yiqiong Yang , Caihong Fang . 两步焙烧法制备大比表面积和结晶性增强超薄g-C₃N₄纳米片及其高效光催化产H₂O₂. Acta Physico-Chimica Sinica, 2024, 40(11): 2406019-. doi: 10.3866/PKU.WHXB202406019
16. [16]
  Mengyao Shi , Kangle Su , Qingming Lu , Bin Zhang , Xiaowen Xu . Determination of Potassium Content in Tobacco Stem Ash by Flame Atomic Absorption Spectroscopy. University Chemistry, 2024, 39(10): 255-260. doi: 10.12461/PKU.DXHX202404105
17. [17]
  Fei Xie , Chengcheng Yuan , Haiyan Tan , Alireza Z. Moshfegh , Bicheng Zhu , Jiaguo Yu . d带中心调控过渡金属单原子负载COF吸附O₂的理论计算研究. Acta Physico-Chimica Sinica, 2024, 40(11): 2407013-. doi: 10.3866/PKU.WHXB202407013
18. [18]
  Jizhou Liu , Chenbin Ai , Chenrui Hu , Bei Cheng , Jianjun Zhang . 六氯锡酸铵促进钙钛矿太阳能电池界面电子转移及其飞秒瞬态吸收光谱研究. Acta Physico-Chimica Sinica, 2024, 40(11): 2402006-. doi: 10.3866/PKU.WHXB202402006
19. [19]
  Yingran Liang , Fei Wang , Jiabao Sun , Hongtao Zheng , Zhenli Zhu . Construction and Application of a New Experimental Device for Determination of Alkaline Metal Elements by Plasma Atomic Emission Spectrometry Based on Solution Cathode Glow Discharge: An Alternative Approach for Fundamental Teaching Experiments in Emission Spectroscopy. University Chemistry, 2024, 39(5): 380-387. doi: 10.3866/PKU.DXHX202312024
20. [20]
  Hong Zhang , Cui-Ping Li , Li-Li Wang , Zhuo-Da Zhou , Wen-Sen Li , Ling-Yi Kong , Ming-Hua Yang . Asperochones A and B, two antimicrobial aromatic polyketides from the endophytic fungus Aspergillus sp. MMC-2. Chinese Chemical Letters, 2024, 35(9): 109351-. doi: 10.1016/j.cclet.2023.109351

Get Citation

PDF

XML

Metrics

PDF Downloads(370)
Abstract views(540)
HTML views(4)

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

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

Metrics

通讯作者: 陈斌, bchen63@163.com

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