Citation: YE Chuan-Xiang, MA Hui-Li, LIANG Wan-Zhen. Two-Photon Absorption Properties of Chromophores of a Few Fluorescent Proteins: a Theoretical Investigation[J]. Acta Physico-Chimica Sinica, ;2016, 32(1): 301-312. doi: 10.3866/PKU.WHXB201512112 shu

Two-Photon Absorption Properties of Chromophores of a Few Fluorescent Proteins: a Theoretical Investigation

1.
1 Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, P. R. China;
2.
2 Department of Chemistry, Tsing University, Beijing 100084, P. R. China;
3.
3 Department of Chemistry, Xiamen University, Xiamen 361005, Fujian Province, P. R. China

Corresponding author: LIANG Wan-Zhen,
Received Date: 15 October 2015
Available Online: 10 December 2015
Fund Project: 国家自然科学基金(21373163,21290193,21573177)资助项目 (21373163,21290193,21573177)

The experimentally-measured two-photon absorption (TPA) spectra of fluorescent proteins (FPs) show quite different characteristics with one-photon absorption (OPA) spectra in both the low- and high-frequency regions. To reveal the mechanism that results in the discrepancies between OPA and TPA spectra, and to obtain the fundamental structure-property relationships of FPs, here we conduct a theoretical study of OPA and TPA properties of three FP chromophores, including a neutral chromophore in enhanced cyan fluorescent protein (ECFP) and two anionic FP chromophores in DsRed2 and TagRFP. Both the pure electronic and vibrationally-resolved TPA spectra have been calculated. The calculated spectra were found to be highly dependent on the density functional theory exchange-correlation functional used. The experimental spectral lineshapes of vibronic spectra can be well produced when the Franck- Condon (FC) scattering and Herzberg-Teller (HT) vibronic coupling effects were taken into account and the structure parameters produced by CAM-B3LYP were applied in the theoretical calculations. The HT effects affect the low-frequency absorption bands corresponding to the electronic transition from S₀ to S₁ for two anionic chromophores, leading to a blue-shift of the TPA maximum relative to OPA maximum, while the HT effect is insignificant in the higher-frequency region of the TPA spectra. The intramolecular charge-transfer character of higher-lying excited states explains why the TPA spectra in the higher-frequency region are much stronger than those in the low-frequency region.
- Two-photon absorption,
- Fluorescent protein chromophore,
- Vibronic spectrum,
- Time-dependent density functional theory
1. [1]
  (1) Zimmer, M. Chem. Rev. 2002, 102, 759. doi: 10.1021/cr010142r
2. [2]
  (2) Drobizhev, M.; Makarov, N. S.; Tillo, S. E.; Hughes, T. E.; Rebane, A. Nat. Methods 2011, 8, 393. doi: 10.1038/nmeth.1596
3. [3]
  (3) Drobizhev, M.; Tillo, S.; Makarov, N.; Hughes, T.; Rebane, A. J. Phys. Chem. B 2009, 113, 855. doi: 10.1021/jp8087379
4. [4]
  (4) Spiess, E.; Bestvater, F.; Heckel-pompey, A.; Toth, K.; Hacker, M.; Stobrawa, G.; Feurer, T.; Wotzlaw, C.; Berchner-Pfannschmidt, U.; Porwol, T.; Acker, H. J. Microsc. 2005, 217, 200. doi: 10.1111/jmi.2005.217.issue-3
5. [5]
  (5) Katan, C.; Terenziani, F.; Mongin, O.; Werts, M. H.; Porres, L.; Pons, T.; Mertz, J.; Tretiak, S.; Blanchard-Desce, M. J. Phys. Chem. A 2005, 109, 3024. doi: 10.1021/jp044193e
6. [6]
  (6) Xu, C.; Zipfel, W.; Shear, J. B.; Williams, R. M.; Webb, W. W. Proc. Natl. Acad. Sci. U. S. A. 1996, 93, 10763. doi: 10.1073/pnas.93.20.10763
7. [7]
  (7) Tsien, R. Y. Annu. Rev. Biochem. 1998, 67, 509. doi: 10.1146/annurev.biochem.67.1.509
8. [8]
  (8) Hunter, S.; Kiamilev, F.; Esener, S.; Parthenopoulos, D. A.; Rentzepis, P. M. Appl. Optics 1990, 29, 2058. doi: 10.1364/AO.29.002058
9. [9]
  (9) Chudakov, D. M.; Matz, M. V.; Lukyanov, S.; Lukyanov, K. A. Physiol. Rev. 2010, 90, 1103. doi: 10.1152/physrev.00038.2009
10. [10]
  (10) Oulianov, D.; Tomov, I.; Dvornikov, A.; Rentzepis, P. Opt. Commun. 2001, 191, 235. doi: 10.1016/S0030-401801121-X
11. [11]
  (11) Nanda, K. D.; Krylov, A. I. J. Chem. Phys. 2015, 142, 064118. doi: 10.1063/1.4907715
12. [12]
  (12) Yuan, L.; Lin, W. Y.; Chen, H.; Zhu, S.; He, L. W. Angew. Chem. Int. Edit. 2013, 52, 10018. doi: 10.1002/anie.201303179
13. [13]
  (13) Terenziani, F.; Katan, C.; Badaeva, E.; Tretiak, S.; Blanchard-Desce, M. Adv. Mater. 2008, 20, 4641. doi: 10.1002/adma.v20:24
14. [14]
  (14) Beerepoot, M. T.; Friese, D. H.; Ruud, K. Phys. Chem. Chem. Phys. 2014, 16, 5958. doi: 10.1039/c3cp55205e
15. [15]
  (15) Nifosí, R.; Luo, Y. J. Phys. Chem. B 2007, 111, 14043. doi: 10.1021/jp075545v
16. [16]
  (16) Vivas, M.; Silva, D.; Misoguti, L.; Zalesny, R.; Bartkowiak, W.; Mendonca, C. R. J. Phys. Chem. A 2010, 114, 3466. doi: 10.1021/jp910010g
17. [17]
  (17) Tretiak, S.; Chernyak, V. J. Chem. Phys. 2003, 119, 8809. doi: 10.1063/1.1614240
18. [18]
  (18) Kamarchik, E.; Krylov, A. I. J. Chem. Phys. Lett. 2011, 2, 488. doi: 10.1021/jz101616g
19. [19]
  (19) Steindal, A. H.; Olsen, J. M. H.; Ruud, K.; Frediani, L.; Kongsted, J. Phys. Chem. Chem. Phys. 2012, 14, 5440. doi: 10.1039/c2cp23537d
20. [20]
  (20) Nayyar, I. H.; Masunov, A. E.; Tretiak, S. J. Phys. Chem. C 2013, 117, 18170. doi: 10.1021/jp403981d
21. [21]
  (21) Christiansen, O.; Koch, H.; Jørgensen, P. Chem. Phys. Lett. 1995, 243, 409. doi: 10.1016/0009-261400841-Q
22. [22]
  (22) Drobizhev, M.; Makarov, N.; Hughes, T.; Rebane, A. J. Phys. Chem. B 2007, 111, 14051. doi: 10.1021/jp075879k
23. [23]
  (23) Ma, H. L.; Zhao, Y.; Liang, W. Z. J. Chem. Phys. 2014, 140, 094107. doi: 10.1063/1.4867273
24. [24]
  (24) Liang, W. Z.; Ma, H. L.; Zang, H.; Ye, C. X. Int. J. Quantum Chem. 2015, 115, 550. doi: 10.1002/qua.24824
25. [25]
  (25) Liu, J.; Liang, W. Z. J. Chem. Phys. 2011, 135, 184111. doi: 10.1063/1.3659312
26. [26]
  (26) Liu, J.; Liang, W. Z. J. Chem. Phys. 2011, 135, 014113. doi: 10.1063/1.3605504
27. [27]
  (27) Liu, J.; Liang, W. Z. J. Chem. Phys. 2013, 138, 024101. doi: 10.1063/1.4773397
28. [28]
  (28) Zeng, Q.; Liu, J.; Liang, W. Z. J. Chem. Phys. 2014, 140, 18A506. doi: 10.1063/1.4863563
29. [29]
  (29) Zeng, Q.; Liang, W. Z. J. Chem. Phys. 2015, 143, 134104. doi: 10.1063/1.4931734
30. [30]
  (30) Lelimousin, M.; Noirclerc-Savoye, M.; Lazareno-Saez, C.; Paetzold, B.; Le Vot, S.; Chazal, R.; Macheboeuf, P.; Field, M. J.; Bourgeois, D.; Royant, A. Biochemistry 2009, 48, 10038. doi: 10.1021/bi901093w
31. [31]
  (31) Pletnev, S.; Subach, F. V.; Dauter, Z.; Wlodawer, A.; Verkhusha, V. V. J. Mol. Biol. 2012, 417, 144. doi: 10.1016/j.jmb.2012.01.044
32. [32]
  (32) Hales, J. M.; Hagan, D. J.; Van Stryland, E. W.; Schafer, K.; Morales, A.; Belfield, K. D.; Pacher, P.; Kwon, O.; Zojer, E.;
  Brédas, J. L. J. Chem. Phys. 2004, 121, 3152. doi: 10.1063/1.1770726
33. [33]
  (33) Drobizhev, M.; Karotki, A.; Kruk, M.; Rebane, A. Chem. Phys. Lett. 2002, 355, 175. doi: 10.1016/S0009-261400206-3
34. [34]
  (34) Wanko, M.; García-Risueño, P.; Rubio, A. Phys. Status Solidi-b 2012, 249, 392. doi: 10.1002/pssb.201100536
35. [35]
  (35) McClain, W. J. Chem. Phys. 1971, 55, 2789. doi: 10.1063/1.1676494
36. [36]
  (36) Dick, B.; Hochstrasser, R.; Trommsdorff, H. Nonlinear Optical Properties of Organic Molecules and Crystals; Chemla, D. S., Zyss, J. Eds; Academic Press: Orlando, 1987; pp 159–212.
37. [37]
  (37) Shen, Y. R. The Principles of Nonlinear Optics, 1st ed.; Wiley-Interscience: New York, 1984; pp 216–795.
38. [38]
  (38) Bishop, D. M.; Luis, J. M.; Kirtman, B. J. Chem. Phys. 2002, 116, 9729.
39. [39]
  (39) Silverstein, D. W.; Jensen, L. J. Chem. Phys. 2012, 136, 064111. doi: 10.1063/1.3684236
40. [40]
  (40) Ma, H. L.Theoretical Study on the Optical Properties of Molecules and Noble Metal Nanoparticles. Ph. D. Dissertation, University of Science and Technology of China, Hefei, 2014. [马会利. 分子与惰性金属纳米粒子光学性质的理论研究[D]. 合肥: 中国科学技术大学, 2014.]
41. [41]
  (41) Santoro, F.; Cappelli, C.; Barone, V. J. Chem. Theory Comput. 2011, 7, 1824. doi: 10.1021/ct200054w
42. [42]
  (42) Ferrer, F. A.; Barone, V.; Cappelli, C.; Santoro, F. J. Chem. Theory Comput. 2013, 9, 3597. doi: 10.1021/ct400197y
43. [43]
  (43) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 09, Revision D.01; Gaussian Inc.: Wallingford, CT, 2009.
44. [44]
  (44) Dalton, a Molecular Electronic Structure Program; Release Dalton 2011, 2011. see http://daltonprogram.org.
45. [45]
  (45) Tomasi, J.; Mennucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999. doi: 10.1021/cr9904009
46. [46]
  (46) Scalmani, G.; Frisch, M. J. J. Chem. Phys. 2010, 132, 114110. doi: 10.1063/1.3359469
47. [47]
  (47) Luzanov, A.; Sukhorukov, A.; Umanskii, V. Theor. Exp. Chem. 1976, 10, 354. doi: 10.1007/BF00526670
48. [48]
  (48) Nielsen, S. B.; Lapierre, A.; Andersen, J. U.; Pedersen, U.; Tomita, S.; Andersen, L. Phys. Rev. Lett. 2001, 87, 228102. doi: 10.1103/PhysRevLett.87.228102
49. [49]
  (49) Sun, C.; Liu, J.; Liang, W. Z.; Zhao, Y. Chin. J. Chem. Phys. 2013, 26, 617. doi: 10.1063/1674-0068/26/06/617-626
50. [50]
  (50) Marques, M. A.; López, X.; Varsano, D.; Castro, A.; Rubio, A. Phys. Rev. Lett. 2003, 90, 258101. doi: 10.1103/PhysRevLett.90.258101
51. [51]
  (51) Nienhaus, K.; Nar, H.; Heilker, R.; Wiedenmann, J.; Nienhaus, G. U. J. Am. Chem. Soc. 2008, 130, 12578. doi: 10.1021/ja8046443
52. [52]
  (52) Stavrov, S. S.; Solntsev, K. M.; Tolbert, L. M.; Huppert, D. J. Am. Chem. Soc. 2006, 128, 1540. doi: 10.1021/ja0555421
53. [53]
  (53) Subach, F. V.; Verkhusha, V. V. Chem. Rev. 2012, 112, 4308. doi: 10.1021/cr2001965
1. [1]
  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
2. [2]
  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
3. [3]
  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
4. [4]
  Danqing Wu , Jiajun Liu , Tianyu Li , Dazhen Xu , Zhiwei Miao . Research Progress on the Simultaneous Construction of C—O and C—X Bonds via 1,2-Difunctionalization of Olefins through Radical Pathways. University Chemistry, 2024, 39(11): 146-157. doi: 10.12461/PKU.DXHX202403087
5. [5]
  Xinyi Hong , Tailing Xue , Zhou Xu , Enrong Xie , Mingkai Wu , Qingqing Wang , Lina Wu . Non-Site-Specific Fluorescent Labeling of Proteins as a Chemical Biology Experiment. University Chemistry, 2024, 39(4): 351-360. doi: 10.3866/PKU.DXHX202310010
6. [6]
  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
7. [7]
  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
8. [8]
  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
9. [9]
  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
10. [10]
  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
11. [11]
  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
12. [12]
  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
13. [13]
  Min LI , Xianfeng MENG . Preparation and microwave absorption properties of ZIF-67 derived Co@C/MoS₂ nanocomposites. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1932-1942. doi: 10.11862/CJIC.20240065
14. [14]
  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
15. [15]
  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
16. [16]
  Xuzhen Wang , Xinkui Wang , Dongxu Tian , Wei Liu . Enhancing the Comprehensive Quality and Innovation Abilities of Graduate Students through a “Student-Centered, Dual Integration and Dual Drive” Teaching Model: A Case Study in the Course of Chemical Reaction Kinetics. University Chemistry, 2024, 39(6): 160-165. doi: 10.3866/PKU.DXHX202401074
17. [17]
  Yunxin Xu , Wenbo Zhang , Jing Yan , Wangchang Geng , Yi Yan . A Fascinating Saga of “Energetic Materials”. University Chemistry, 2024, 39(9): 266-272. doi: 10.3866/PKU.DXHX202307008
18. [18]
  Lei Shu , Zhengqing Hao , Kai Yan , Hong Wang , Lihua Zhu , Fang Chen , Nan Wang . Development of a Double-Carbon Related Experiment: Preparation, Characterization and Carbon-Capture Ability of Eggshell-Derived CaO. University Chemistry, 2024, 39(4): 149-156. doi: 10.3866/PKU.DXHX202310134
19. [19]
  Jin Yan , Chengxia Tong , Yajie Li , Yue Gu , Xuejian Qu , Shigang Wei , Wanchun Zhu , Yupeng Guo . Construction of a “Dual Support, Triple Integration” Chemical Safety Practical Education System. University Chemistry, 2024, 39(7): 69-75. doi: 10.12461/PKU.DXHX202405008
20. [20]
  Linhan Tian , Changsheng Lu . Discussion on Sextuple Bonding in Diatomic Motifs of Chromium Family Elements. University Chemistry, 2024, 39(8): 395-402. doi: 10.3866/PKU.DXHX202401056

Get Citation

PDF

XML

Metrics

PDF Downloads(0)
Abstract views(363)
HTML views(41)

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