Citation: ZHANG Feng, WANG Hong-Yan, LIN Yue-Xia. Effects of Cu²⁺ on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair[J]. Acta Physico-Chimica Sinica, ;2011, 27(12): 2799-2804. doi: 10.3866/PKU.WHXB20112799 shu

Effects of Cu²⁺ on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair

1.
School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, P. R. China

Corresponding author: LIN Yue-Xia,
Received Date: 28 June 2011
Available Online: 27 September 2011
Fund Project: 国家自然科学基金(10974161, 11004160) (10974161, 11004160)中央高校基本科研业务费专项基金(SWJTU09CX079, 2010ZT06)资助项目 (SWJTU09CX079, 2010ZT06)

The proton-transfer processes of the adenine-thymine (A-T) base pair anion (AT)^- and the Cu²⁺ cationized (A-T) base pair anion were investigated using the B3LYP/DZP ++ method. A single protontransfer process was found for the (A-T) base pair anion in which proton H₂₆ at the N₂₅ site of thymine transferred to the N₁₀ site of adenine. The metal cation Cu²⁺ can coordinate to the N₄ and N₁₃ sites of adenine as well as the O₂₄ and O₂₈ sites of thymine in (AT)^- by coordination interactions. For Cu²⁺ coordinated to the O₂₄ and O₂₈ sites of thymine the single proton transfer from thymine to adenine is possible. However, when Cu²⁺ interacts with the N4 or N13 of adenine the double proton-transferred product was found to be stable.
- Density functional theory,
- Base pair,
- Proton-transfer,
- Coordination,
- DNA damage
1. [1]
  (1) Thompson, C. K.; Conwell, E. J. Phys. Chem. Lett. 2010, 1, 1403.
2. [2]
  (2) Noguera, M.; Sodupe, M.; Bertrán, J. Theor. Chem. Acc. 2007, 118, 113.
3. [3]
  (3) Wang, H. Y.; Zhang, J. D.; Schaefer, H. F. ChemPhysChem. 2010, 11, 622.
4. [4]
  (4) Xie, H. J.; Xia, F.; Cao, Z. X. J. Phys. Chem. A 2007, 111 (20), 4384.
5. [5]
  (5) Lind, M. C.; Richardson, N. A.; Wheeler, S. E.; Schaefer, H. F. J. Phys. Chem. B 2007, 111 (19), 5525.
6. [6]
  (6) Xu, Z.; Li, N.; Cui, Y. P. J. Chem. Chin. Univ. 2009. 30 (3), 588. [徐仲, 李宁, 崔燕平. 高等学校化学学报. 2009, 3, 588.]
7. [7]
  (7) Shimizua, N.; Kawano, S.; Tachikawa, M. J. Mole. Struc. 2005, 735-736, 243.
8. [8]
  (8) Villani, G. Chem. Phys. 2005, 316, 1.
9. [9]
  (9) Zhang, Y. Theoretical Investigation of Metal Cations Interact with DNA Base Pair. Ph. D. Dissertation, Huazhong University of Science and Technology,Wuhan, 2004. [张愚. 金属离子与DNA碱基对相互作用的理论研究[D]. 武汉: 华中科技大学, 2004.]
10. [10]
  (10) Burda, J. V.; Sponer, J.; Hobza, P. J. Phys. Chem.1996, 100 (17), 7250.
11. [11]
  (11) Burda, J. V.; Sponer, J.; Leszczynski, J.; Hobza, P. J. Phys. Chem. 1997, 101 (46), 9670.
12. [12]
  (12) Noguera, M.; Bertrán, J.; Sodupe, M. J. Phys. Chem. B 2008, 112 (15), 4817.
13. [13]
  (13) Kumar, A.; Sevilla, M. D.; Sándor, S. J. Phys. Chem . B 2008, 112 (16), 5189.
14. [14]
  (14) Zhang, J. D.; Chen, Z. F.; Schaefer, H. F. J. Phys. Chem. A 2008, 112 (27), 6217.
15. [15]
  (15) Richardson, N. A.;Wesolowski, S. S.; Schaefer, H. F. J. Phys. Chem. B 2003, 107 (3), 848.
16. [16]
  (16) Xie, Y. M.; Schaefer, H. F. J. Chem. Phys. 2007, 127, 155107.
17. [17]
  (17) Radisic, D.; Bowen, K. H.; Dabkowska, I.; Storoniak, P.; Rak, J.; Gutowski, M. J. Am. Chem. Soc. 2005, 127, 6443.
18. [18]
  (18) Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al . Gaussian 03, Revision A. 01; Gaussian Inc.: Pittsburgh, PA, 2003.
19. [19]
  (19) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
20. [20]
  (20) Lee, C.; Yang,W. T.; Parr, R. G. Phys. Rev. 1988, 37, 785.
21. [21]
  (21) Kumar, A.; Sevilla, M. D. J. Phys. Chem. B 2009, 113 (33), 11359.
22. [22]
  (22) Latajka, Z.; Bouteiller, Y. J. Chem. Phys. 1994, 101, 9793.
23. [23]
  (23) Lee, C.; Fitzgerald, G.; Planas, M.; Novoa, J. J. J. Phys. Chem. 1996, 100, 7398.
24. [24]
  (24) Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
25. [25]
  (25) Dunning, T. H. J. Chem. Phys. 1970, 53, 2823.
26. [26]
  (26) Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033.
27. [27]
  (27) Hood, D. M.; Pitzer, R. M.; Schaefer, H. F. J. Chem. Phys. 1979, 71, 705.
1. [1]
  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
2. [2]
  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
3. [3]
  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
4. [4]
  Chang Liu , Tao Wu , Lijiao Deng , Xuzi Li , Xin Fu , Shuzhen Liao , Wenjie Ma , Guoqiang Zou , Hai Yang . Programmed DNA walkers for biosensors. Chinese Chemical Letters, 2024, 35(9): 109307-. doi: 10.1016/j.cclet.2023.109307
5. [5]
  Lu XU , Chengyu ZHANG , Wenjuan JI , Haiying YANG , Yunlong FU . Zinc metal-organic framework with high-density free carboxyl oxygen functionalized pore walls for targeted electrochemical sensing of paracetamol. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 907-918. doi: 10.11862/CJIC.20230431
6. [6]
  Xinyu ZENG , Guhua TANG , Jianming OUYANG . Inhibitory effect of Desmodium styracifolium polysaccharides with different content of carboxyl groups on the growth, aggregation and cell adhesion of calcium oxalate crystals. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1563-1576. doi: 10.11862/CJIC.20230374
7. [7]
  Jia-Li Xie , Tian-Jin Xie , Yu-Jie Luo , Kai Mao , Cheng-Zhi Huang , Yuan-Fang Li , Shu-Jun Zhen . Octopus-like DNA nanostructure coupled with graphene oxide enhanced fluorescence anisotropy for hepatitis B virus DNA detection. Chinese Chemical Letters, 2024, 35(6): 109137-. doi: 10.1016/j.cclet.2023.109137
8. [8]
  Yang Qin , Jiangtian Li , Xuehao Zhang , Kaixuan Wan , Heao Zhang , Feiyang Huang , Limei Wang , Hongxun Wang , Longjie Li , Xianjin Xiao . Toeless and reversible DNA strand displacement based on Hoogsteen-bond triplex. Chinese Chemical Letters, 2024, 35(5): 108826-. doi: 10.1016/j.cclet.2023.108826
9. [9]
  Xiaohong Wen , Mei Yang , Lie Li , Mingmin Huang , Wei Cui , Suping Li , Haiyan Chen , Chen Li , Qiuping Guo . Enzymatically controlled DNA tetrahedron nanoprobes for specific imaging of ATP in tumor. Chinese Chemical Letters, 2024, 35(8): 109291-. doi: 10.1016/j.cclet.2023.109291
10. [10]
  Jingwen Zhao , Jianpu Tang , Zhen Cui , Limin Liu , Dayong Yang , Chi Yao . A DNA micro-complex containing polyaptamer for exosome separation and wound healing. Chinese Chemical Letters, 2024, 35(9): 109303-. doi: 10.1016/j.cclet.2023.109303
11. [11]
  Tian Feng , Yun-Ling Gao , Di Hu , Ke-Yu Yuan , Shu-Yi Gu , Yao-Hua Gu , Si-Yu Yu , Jun Xiong , Yu-Qi Feng , Jie Wang , Bi-Feng Yuan . Chronic sleep deprivation induces alterations in DNA and RNA modifications by liquid chromatography-mass spectrometry analysis. Chinese Chemical Letters, 2024, 35(8): 109259-. doi: 10.1016/j.cclet.2023.109259
12. [12]
  Zhe-Han Yang , Jie Yin , Lei Xin , Yuanfang Li , Yijie Huang , Ruo Yuan , Ying Zhuo . Research advancement of DNA-based intelligent hydrogels: Manufacture, characteristics, application of disease diagnosis and treatment. Chinese Chemical Letters, 2024, 35(10): 109558-. doi: 10.1016/j.cclet.2024.109558
13. [13]
  Guangming YIN , Huaiyao WANG , Jianhua ZHENG , Xinyue DONG , Jian LI , Yi'nan SUN , Yiming GAO , Bingbing WANG . Preparation and photocatalytic degradation performance of Ag/protonated g-C₃N₄ nanorod materials. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1491-1500. doi: 10.11862/CJIC.20240086
14. [14]
  Jinfu Ma , Hui Lu , Jiandong Wu , Zhongli Zou . Teaching Design of Electrochemical Principles Course Based on “Cognitive Laws”: Kinetics of Electron Transfer Steps. University Chemistry, 2024, 39(3): 174-177. doi: 10.3866/PKU.DXHX202309052
15. [15]
  Jiajia Li , Xiangyu Zhang , Zhihan Yuan , Zhengyang Qian , Jian Zhu . 3D Printing Based on Photo-Induced Reversible Addition-Fragmentation Chain Transfer Polymerization. University Chemistry, 2024, 39(5): 11-19. doi: 10.3866/PKU.DXHX202309073
16. [16]
  Yanhui XUE , Shaofei CHAO , Man XU , Qiong WU , Fufa WU , Sufyan Javed Muhammad . Construction of high energy density hexagonal hole MXene aqueous supercapacitor by vacancy defect control strategy. Chinese Journal of Inorganic Chemistry, 2024, 40(9): 1640-1652. doi: 10.11862/CJIC.20240183
17. [17]
  Chengbin Gong , Guona Zhang , Qian Tang , Hong Lei , Ling Kong , Wenshan Ren . Development of a Practical Teaching System for the Applied Chemistry Major Emphasizing “Industry-Education Integration, University-Enterprise Cooperation, and Multi-Dimensional Combination”. University Chemistry, 2024, 39(6): 220-225. doi: 10.3866/PKU.DXHX202309104
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]
  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
20. [20]
  Hua Hou , Baoshan Wang . Course Ideology and Politics Education in Theoretical and Computational Chemistry. University Chemistry, 2024, 39(2): 307-313. doi: 10.3866/PKU.DXHX202309045

Get Citation

PDF

XML

Metrics

PDF Downloads(788)
Abstract views(2804)
HTML views(40)

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

Effects of Cu2+ on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair

Metrics

通讯作者: 陈斌, bchen63@163.com

Effects of Cu²⁺ on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair