Citation: CAO Guo-Jin, ZHENG Wei-Jun. Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers[J]. Acta Physico-Chimica Sinica, ;2013, 29(10): 2135-2147. doi: 10.3866/PKU.WHXB201308011 shu

Structures, Stabilities and Physicochemical Properties of Nucleobase Tautomers

CAO Guo-Jin ¹ ,
ZHENG Wei-Jun ^2,

1.
1 Department of Chemistry and Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, P. R. China;
2 Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China

Received Date: 6 June 2013
Available Online: 1 August 2013
Fund Project: 国家自然科学基金(21273246)资助项目 (21273246)

Nucleobases in DNA and RNA are important building blocks of the genetic codes and are critical in transferring genetic information. In general, nucleobases have many tautomers; but in DNA and RNA molecules they are mainly presented in the most stable forms. Uncommon tautomers can cause mispairing of base pairs to form irregular structures of DNA and RNA that lead to spontaneous mutations during replication. Thus, systematic studies of nucleobase tautomers are very important in understanding the structures and the characteristics of DNA and RNA. This review summarizes the experimental and theoretical studies in the literature and our density functional calculations on all the nucleobase tautomers. The relative energies of nucleobase tautomers and the structures of their lowest-energy tautomers fromour calculations are in od agreement with the experimental values in the literature. In addition, we also summarize the information of electron affinities, ionization potentials, and proton affinities of nucleobases reported in the literature.
- Nucleobase,
- Tautomer,
- Density functional calculation,
- Electron affinity,
- Ionization potential,
- Proton affinity
1. [1]
  
  (1) Blackburn, G. M. Nucleic Acids in Chemistry and Biology;Royal Society of Chemistry: Cambridge, 2006; p 13.
2. [2]
  (2) Wojnarowska, Z.; Paluch, M.; Wlodarczyk, P.; Dulski, M.;Wrzalik, R.; Roland, C. M. J. Phys. Chem. Lett. 2012, 3,2288. doi: 10.1021/jz300541t
3. [3]
  (3) Lee, H.; Popodi, E.; Tang, H. X.; Foster, P. L. Proc. Natl. Acad. Sci. U. S. A. 2012, 109, E2774.
4. [4]
  (4) Lippert, B.; Gupta, D. Dalton Transactions 2009, 4619.
5. [5]
  (5) Ai, H. Q.; Chen, J. P.; Zhang, C. J. Phys. Chem. B 2012, 116,13624. doi: 10.1021/jp308937k
6. [6]
  (6) Neidle, S. Principles of Nucleic Acid Structure; Elsevier:London, 2008; p 1.
7. [7]
  (7) van Mourik, T.; Danilov, V. I.; Dailidonis, V. V.; Kurita, N.;Wakabayashi, H.; Tsukamoto, T. Theor. Chem. Acc. 2010, 125,233. doi: 10.1007/s00214-009-0630-0
8. [8]
  (8) Beak, P.;White, J. M. J. Am. Chem. Soc. 1982, 104, 7073. doi: 10.1021/ja00389a032
9. [9]
  (9) Ferenczy, G.; Harsányi, L.; Rozsondai, B.; Hargittai, I. J. Mol. Struct. 1986, 140, 71. doi: 10.1016/0022-2860(86)80148-X
10. [10]
  (10) Fujii, M.; Tamura, T.; Mikami, N.; Ito, M. Chem. Phys. Lett.1986, 126, 583. doi: 10.1016/S0009-2614(86)80178-6
11. [11]
  (11) Tsuchiya, Y.; Tamura, T.; Fujii, M.; Ito, M. J. Phys. Chem. 1988,92, 1760. doi: 10.1021/j100318a013
12. [12]
  (12) Brown, R. D.; dfrey, P. D.; McNaughton, D.; Pierlot, A. P.J. Am. Chem. Soc. 1988, 110, 2329. doi: 10.1021/ja00215a069
13. [13]
  (13) Dougherty, D.;Wittel, K.; Meeks, J.; McGlynn, S. P. J. Am. Chem. Soc. 1976, 98, 3815. doi: 10.1021/ja00429a013
14. [14]
  (14) Brady, B. B.; Peteanu, L. A.; Levy, D. H. Chem. Phys. Lett.1988, 147, 538. doi: 10.1016/0009-2614(88)80264-1
15. [15]
  (15) Kubota, M.; Kobayashi, T. J. Electron. Spectrosc. Relat. Phenom. 1996, 82, 61. doi: 10.1016/S0368-2048(96)03047-2
16. [16]
  (16) Colarusso, P.; Zhang, K.; Guo, B.; Bernath, P. F. Chem. Phys. Lett. 1997, 269, 39. doi: 10.1016/S0009-2614(97)00245-5
17. [17]
  (17) Szczesniak, M.; Nowak, M. J.; Rostkowska, H.; Szczepaniak,K.; Person, W. B.; Shugar, D. J. Am. Chem. Soc. 1983, 105,5969. doi: 10.1021/ja00357a002
18. [18]
  (18) Chin, S.; Scott, I.; Szczepani, K.; Person, W. B. J. Am. Chem. Soc. 1984, 106, 3415. doi: 10.1021/ja00324a006
19. [19]
  (19) Basch, H.; Garmer, D. R.; Jasien, P. G.; Krauss, M.; Stevens, W.J. Chem. Phys. Lett. 1989, 163, 514. doi: 10.1016/0009-2614(89)85179-6
20. [20]
  (20) Bodor, N.; Dewar, M. J. S.; Harget, A. J. J. Am. Chem. Soc.1970, 92, 2929. doi: 10.1021/ja00713a001
21. [21]
  (21) Czermiński, R.; Lesyng, B.; Pohorille, A. Int. J. Quantum Chem.1979, 16, 605.
22. [22]
  (22) Scanlan, M. J.; Hillier, I. H. J. Am. Chem. Soc. 1984, 106,3737. doi: 10.1021/ja00325a005
23. [23]
  (23) Saunders, M.; Webb, G.; Tute, M. J. Mol. Struct. 1987, 158,69. doi: 10.1016/0022-2860(87)80005-4
24. [24]
  (24) Katritzky, A. R.; Karelson, M. J. Am. Chem. Soc. 1991, 113,1561. doi: 10.1021/ja00005a017
25. [25]
  (25) Leszczynski, J. J. Phys. Chem. 1992, 96, 1649. doi: 10.1021/j100183a029
26. [26]
  (26) Boughton, J. W.; Pulay, P. Int. J. Quantum Chem. 1993, 47, 49.
27. [27]
  (27) Estrin, D. A.; Paglieri, L.; Corongiu, G. J. Phys. Chem. 1994,98, 5653. doi: 10.1021/j100073a014
28. [28]
  (28) Tian, S. X.; Zhang, C. F.; Zhang, Z. J.; Chen, X. J.; Xu, K. Z.Chem. Phys. 1999, 242, 217. doi: 10.1016/S0301-0104(99)00009-9
29. [29]
  (29) Hobza, P.; Sponer, J. Chem. Rev. 1999, 99, 3247. doi: 10.1021/cr9800255
30. [30]
  (30) Jasien, P. G.; Fitzgerald, G. J. Chem. Phys. 1990, 93, 2554. doi: 10.1063/1.458894
31. [31]
  (31) Les, A.; Adamowicz, L. J. Phys. Chem. 1990, 94, 7021. doi: 10.1021/j100381a020
32. [32]
  (32) Kryachko, E. S.; Nguyen, M. T.; Zeegers-Huyskens, T. J. Phys. Chem. A 2001, 105, 1288. doi: 10.1021/jp001031j
33. [33]
  (33) Kryachko, E. S.; Nguyen, M. T.; Zeegers-Huyskens, T. J. Phys. Chem. A 2001, 105, 1934. doi: 10.1021/jp0019411
34. [34]
  (34) Ozeki, K.; Sakabe, N.; Tanaka, J. Acta Crystallogr., Sect. B: Struct. Sci. 1969, 25, 1038. doi: 10.1107/S0567740869003505
35. [35]
  (35) Brown, R. D.; dfrey, P. D.; McNaughton, D.; Pierlot, A. P.J. Chem. Soc., Chem. Commun. 1989, 37.
36. [36]
  (36) Morsy, M.; Al-Somali, A.; Suwaiyan, A. J. Phys. Chem. B 1999,103, 11205. doi: 10.1021/jp990858e
37. [37]
  (37) Rejnek, J.; Hanus, M.; Kabelac, M.; Ryjacek, F.; Hobza, P.Phys. Chem. Chem. Phys. 2005, 7, 2006. doi: 10.1039/b501499a
38. [38]
  (38) Ha, T. K.; Gunthard, H. H. J. Am. Chem. Soc. 1993, 115, 11939.doi: 10.1021/ja00078a036
39. [39]
  (39) Ueda, T.; Fox, J. J. J. Am. Chem. Soc. 1963, 85, 4024. doi: 10.1021/ja00907a026
40. [40]
  (40) Dreyfus, M.; Bensaude, O.; Dodin, G.; Dubois, J. E. J. Am. Chem. Soc. 1976, 98, 6338. doi: 10.1021/ja00436a045
41. [41]
  (41) Yu, C.; Peng, S.; Akiyama, I.; Lin, J.; LeBreton, P. R. J. Am. Chem. Soc. 1978, 100, 2303. doi: 10.1021/ja00476a006
42. [42]
  (42) Szczesniak, M.; Szczepaniak, K.; Kwiatkowski, J.; KuBulat, K.;Person, W. J. Am. Chem. Soc. 1988, 110, 8319. doi: 10.1021/ja00233a006
43. [43]
  (43) Nowak, M. J.; Lapinski, L.; Fulara, J. Spectrochim. Acta, Part A: Mol. Spectrosc. 1989, 45, 229. doi: 10.1016/0584-8539(89)80129-1
44. [44]
  (44) Brown, R. D.; dfrey, P. D.; McNaughton, D.; Pierlot, A. P.J. Am. Chem. Soc. 1989, 111, 2308. doi: 10.1021/ja00188a058
45. [45]
  (45) Nir, E.; Müller, M.; Grace, L. I.; de Vries, M. S. Chem. Phys. Lett. 2002, 355, 59. doi: 10.1016/S0009-2614(02)00180-X
46. [46]
  (46) Tomic, K.; Tatchen, J.; Marian, C. M. J. Phys. Chem. A 2005,109, 8410. doi: 10.1021/jp051510o
47. [47]
  (47) Fogarasi, G. J. Mol. Struct. 1997, 413, 271.
48. [48]
  (48) Colominas, C.; Luque, F. J.; Orozco, M. J. Am. Chem. Soc.1996, 118, 6811. doi: 10.1021/ja954293l
49. [49]
  (49) Kwiatkowski, J. S.; Leszczyński, J. J. Phys. Chem. 1996, 100,941. doi: 10.1021/jp9514640
50. [50]
  (50) Sponer, J.; Hobza, P. J. Phys. Chem. 1994, 98, 3161. doi: 10.1021/j100063a019
51. [51]
  (51) uld, I. R.; Burton, N. A.; Hall, R. J.; Hillier, I. H. J. Mol. Struct: Theochem 1995, 331, 147. doi: 10.1016/0166-1280(94)03887-Q
52. [52]
  (52) Les, A.; Adamowicz, L.; Bartlett, R. J. J. Phys. Chem. 1989, 93,4001. doi: 10.1021/j100347a028
53. [53]
  (53) Kobayashi, R. J. Phys. Chem. A 1998, 102, 10813. doi: 10.1021/jp9829546
54. [54]
  (54) Ha, T. K.; Keller, H. J.; Gunde, R.; Gunthard, H. H. J. Phys. Chem. A 1999, 103, 6612. doi: 10.1021/jp984564p
55. [55]
  (55) Fogarasi, G. J. Phys. Chem. A 2002, 106, 1381. doi: 10.1021/jp013067x
56. [56]
  (56) van Mourik, T.; Benoit, D. M.; Price, S. L.; Clary, D. C. Phys. Chem. Chem. Phys. 2000, 2, 1281. doi: 10.1039/a909183a
57. [57]
  (57) Sambrano, J. R.; de Souza, A. R.; Queralt, J. J.; Andrés, J.Chem. Phys. Lett. 2000, 317, 437. doi: 10.1016/S0009-2614(99)01394-9
58. [58]
  (58) Kwiatkowski, J. S.; Bartlett, R. J.; Person, W. B. J. Am. Chem. Soc. 1988, 110, 2353. doi: 10.1021/ja00216a001
59. [59]
  (59) Chenon, M. T.; Pugmire, R. J.; Grant, D. M.; Panzica, R. P.;Townsend, L. B. J. Am. Chem. Soc. 1975, 97, 4636. doi: 10.1021/ja00849a028
60. [60]
  (60) Dreyfus, M.; Dodin, G.; Bensaude, O.; Dubois, J. E. J. Am. Chem. Soc. 1975, 97, 2369. doi: 10.1021/ja00842a011
61. [61]
  (61) nnella, N. C.; Nakanishi, H.; Holtwick, J. B.; Horowitz, D.S.; Kanamori, K.; Leonard, N. J.; Roberts, J. D. J. Am. Chem. Soc. 1983, 105, 2050. doi: 10.1021/ja00345a063
62. [62]
  (62) Nowak, M. J.; Lapinski, L.; Kwiatkowski, J. S.; Leszczynski, J.J. Phys. Chem. 1996, 100, 3527. doi: 10.1021/jp9530008
63. [63]
  (63) Nowak, M. J.; Rostkowska, H.; Lapinski, L.; Kwiatkowski, J.S.; Leszczynski, J. J. Phys. Chem. 1994, 98, 2813. doi: 10.1021/j100062a015
64. [64]
  (64) Laxer, A.; Major, D. T.; ttlieb, H. E.; Fischer, B. J. Org. Chem. 2001, 66, 5463. doi: 10.1021/jo010344n
65. [65]
  (65) Plützer, C.; Kleinermanns, K. Phys. Chem. Chem. Phys. 2002, 4,4877. doi: 10.1039/b204595h
66. [66]
  (66) Cohen, B.; Hare, P. M.; Kohler, B. J. Am. Chem. Soc. 2003, 125,13594. doi: 10.1021/ja035628z
67. [67]
  (67) Vogt, N.; Dorofeeva, O. V.; Sipachev, V. A.; Rykov, A. N.J. Phys. Chem. A 2009, 113, 13816. doi: 10.1021/jp905755u
68. [68]
  (68) Broo, A. J. Phys. Chem. A 1998, 102, 526. doi: 10.1021/jp9713625
69. [69]
  (69) Mennucci, B.; Toniolo, A.; Tomasi, J. J. Phys. Chem. A 2001,105, 4749. doi: 10.1021/jp0045843
70. [70]
  (70) Guerra, C. F.; Bickelhaupt, F. M.; Saha, S.; Wang, F. J. Phys. Chem. A 2006, 110, 4012. doi: 10.1021/jp057275r
71. [71]
  (71) Hanus, M.; Kabelac, M.; Rejnek, J.; Ryjacek, F.; Hobza, P.J. Phys. Chem. B 2004, 108, 2087.
72. [72]
  (72) Roca-Sanjuán, D.; Merchán, M.; Serrano-Andrés, L.; Rubio, M.J. Chem. Phys. 2008, 129, 095104. doi: 10.1063/1.2958286
73. [73]
  (73) Salter, L. M.; Chaban, G. M. J. Phys. Chem. A 2002, 106,4251. doi: 10.1021/jp014620d
74. [74]
  (74) Choi, M. Y.; Dong, F.; Han, S. W.; Miller, R. E. J. Phys. Chem. A 2008, 112, 7185. doi: 10.1021/jp8012688
75. [75]
  (75) Wiorkiewicz-Kuczera, J.; Karplus, M. J. Am. Chem. Soc. 1990,112, 5324. doi: 10.1021/ja00169a045
76. [76]
  (76) Kim, H. S.; Ahn, D. S.; Chung, S. Y.; Kim, S. K.; Lee, S.J. Phys. Chem. A 2007, 111, 8007. doi: 10.1021/jp074229d
77. [77]
  (77) Aidas, K.; Mikkelsen, K. V.; Kongsted, J. Phys. Chem. Chem. Phys. 2010, 12, 761. doi: 10.1039/b915604f
78. [78]
  (78) Lin, J.; Yu, C.; Peng, S.; Akiyama, I.; Li, K.; Lee, L. K.;LeBreton, P. R. J. Phys. Chem. 1980, 84, 1006. doi: 10.1021/j100446a015
79. [79]
  (79) Nir, E.; Grace, L.; Brauer, B.; de Vries, M. S. J. Am. Chem. Soc.1999, 121, 4896. doi: 10.1021/ja984088g
80. [80]
  (80) Nir, E.; Janzen, C.; Imhof, P.; Kleinermanns, K.; de Vries, M. S.J. Chem. Phys. 2001, 115, 4604. doi: 10.1063/1.1391443
81. [81]
  (81) Piuzzi, F.; Mons, M.; Dimicoli, I.; Tardivel, B.; Zhao, Q. Chem. Phys. 2001, 270, 205. doi: 10.1016/S0301-0104(01)00393-7
82. [82]
  (82) Mons, M.; Dimicoli, I.; Piuzzi, F.; Tardivel, B.; Elhanine, M.J. Phys. Chem. A 2002, 106, 5088. doi: 10.1021/jp0139742
83. [83]
  (83) Choi, M. Y.; Miller, R. E. J. Am. Chem. Soc. 2006, 128,7320. doi: 10.1021/ja060741l
84. [84]
  (84) Mons, M.; Piuzzi, F.; Dimicoli, I.; rb, L.; Leszczynski, J.J. Phys. Chem. A 2006, 110, 10921. doi: 10.1021/jp063738x
85. [85]
  (85) Zhou, J.; Kostko, O.; Nicolas, C.; Tang, X.; Belau, L.; deVries, M. S.; Ahmed, M. J. Phys. Chem. A 2009, 113, 4829.doi: 10.1021/jp811107x
86. [86]
  (86) Sabio, M.; Topiol, S.; Lumma, W. C. J. Phys. Chem. 1990, 94,1366. doi: 10.1021/j100367a032
87. [87]
  (87) rb, L.; Kaczmarek, A.; rb, A.; Sadlej, A. J.; Leszczynski,J. J. Phys. Chem. B 2005, 109, 13770. doi: 10.1021/jp050394m
88. [88]
  (88) Shukla, M. K.; Leszczynski, J. Chem. Phys. Lett. 2006, 429,261. doi: 10.1016/j.cplett.2006.08.037
89. [89]
  (89) Liang, W.; Li, H. R.; Hu, X. B.; Han, S. J. Chem. Phys. 2006,328, 93. doi: 10.1016/j.chemphys.2006.06.025
90. [90]
  (90) Schiedt, J.; Weinkauf, R.; Neumark, D. M.; Schlag, E. W.Chem. Phys. 1998, 239, 511. doi: 10.1016/S0301-0104(98)00361-9
91. [91]
  (91) Desfrancois, C.; Abdoul Carime, H.; Schermann, J. J. Chem. Phys. 1996, 104, 7792. doi: 10.1063/1.471484
92. [92]
  (92) Hendricks, J.; Lyapustina, S.; De Clercq, H.; Snodgrass, J.;Bowen, K. J. Chem. Phys. 1996, 104, 7788. doi: 10.1063/1.471482
93. [93]
  (93) Dol unitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Chem. Phys. Lett. 1999, 307, 220. doi: 10.1016/S0009-2614(99)00492-3
94. [94]
  (94) Wesolowski, S. S.; Leininger, M. L.; Pentchev, P. N.; Schaefer,H. F. J. Am. Chem. Soc. 2001, 123, 4023. doi: 10.1021/ja003814o
95. [95]
  (95) Li, X.; Cai, Z.; Sevilla, M. D. J. Phys. Chem. A 2002, 106,1596. doi: 10.1021/jp013337b
96. [96]
  (96) Desfrancois, C.; Periquet, V.; Bouteiller, Y.; Schermann, J. P.J. Phys. Chem. A 1998, 102, 1274. doi: 10.1021/jp9728417
97. [97]
  (97) Dol unitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. J. Phys. Chem. A 2002, 106, 8411. doi: 10.1021/jp020080o
98. [98]
  (98) Hush, N. S.; Cheung, A. S. Chem. Phys. Lett. 1975, 34, 11. doi: 10.1016/0009-2614(75)80190-4
99. [99]
  (99) Orlov, V.; Smirnov, A.; Varshavsky, Y. M. Tetrahedron Lett.1976, 17, 4377. doi: 10.1016/0040-4039(76)80120-7
100. [100]
  (100) Sevilla, M. D.; Besler, B.; Colson, A. O. J. Phys. Chem. 1995,99, 1060. doi: 10.1021/j100003a032
101. [101]
  (101) Hutter, M.; Clark, T. J. Am. Chem. Soc. 1996, 118, 7574. doi: 10.1021/ja953370+
102. [102]
  (102) Leão, M. B. C.; Lon , R. L.; Pavão, A. C. J. Mol. Struct. -Theochem 1999, 490, 145. doi: 10.1016/S0166-1280(99)00095-0
103. [103]
  (103) Meot-Ner, M. J. Am. Chem. Soc. 1979, 101, 2396. doi: 10.1021/ja00503a027
104. [104]
  (104) Lias, S. J. Phys. Chem. Ref. Data 1984, 13, 695. doi: 10.1063/1.555719
105. [105]
  (105) Greco, F.; Liguori, A.; Sindona, G.; Uccella, N. J. Am. Chem. Soc. 1990, 112, 9092. doi: 10.1021/ja00181a009
106. [106]
  (106) Podolyan, Y.; rb, L.; Leszczynski, J. J. Phys. Chem. A 2000,104, 7346. doi: 10.1021/jp000740u
107. [107]
  (107) Russo, N.; Toscano, M.; Grand, A.; Jolibois, F. J. Comput. Chem. 1998, 19, 989.
108. [108]
  (108) Chandra, A. K.; Nguyen, M. T.; Uchimaru, T.; Zeegers-Huyskens, T. J. Phys. Chem. A 1999, 103, 8853. doi: 10.1021/jp990647+
109. [109]
  (109) Cao, G. J.; Xu, H. G.; Li, R. Z.; Zheng, W. J. Chem. Phys.2012, 136, 014305. doi: 10.1063/1.3671945
110. [110]
  (110) Esteruelas, M. A.; Garcia-Raboso, J.; Olivan, M. Inorg. Chem.2012, 51, 9522. doi: 10.1021/ic3013238
111. [111]
  (111) Javan, M. J.; Tehrani, Z. A.; Fattahi, A.; Jamshidi, Z. Struct. Chem. 2012, 23, 1843. doi: 10.1007/s11224-012-9993-2
112. [112]
  (112) Lin, Y. X.; Wang, H. Y.; Gao, S. M.; Wu, Y. X.; Li, R. H. Acta Phys. -Chim. Sin. 2013, 29, 1233. [林月霞, 王红艳, 高思敏,吴颖曦,李汝虎. 物理化学学报, 2013, 29, 1233.] doi: 10.3866/PKU.WHXB201304022
113. [113]
  (113) Palamarchuk, G. V.; Shishkin, O. V.; rb, L.; Leszczynski, J.J. Phys. Chem. B 2013, 117, 2841. doi: 10.1021/jp311363c
114. [114]
  (114) Villabona-Monsalve, J. P.; Noria, R.; Matsika, S.; Peon, J.J. Am. Chem. Soc. 2012, 134, 7820. doi: 10.1021/ja300546x
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