Chapter 7 Application of molecular orbital theory to the elucidation of radical processes induced by radiation damage to DNA

Theoretical and Computational Chemistry

Volumn 8, Issue C, 1999, Pages 245-277

  Colson, Anny Odile ^a   Sevilla, Michael D ^b  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b OAKLAND UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 3242741054     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S1380-7323(99)80082-X     Document Type: Chapter

References (172)

1. Becker D., and Sevilla M.D. In: Lett J.T., and Adler H. (Eds). Advances in Radiation Biology (1993), Academic Press, New-York 121-180
2. Chatterjee A. Radiation Chemistry Principles and Applications (1987), VCH, New York
3. Sevilla M.D., and Becker D. R. Soc. Chem. Spec. Rev., Electron Spin Reson. 14 (1994) 130
4. Schulte-Frohlinde D., and von Sonntag C. Ionizing Radiation Damage to DNA: Molecular Aspects (1990), Wiley-Liss, Inc., New York
5. Miaskiewicz K., and Osman R.J. Am. Chem. Soc. 116 (1994) 232
6. Miaskiewicz K., Miller J., and Osman R. Int. J. Radiat. Biol. 63 (1993) 677
7. Colson A.O., and Sevilla M.D. Int. J. Radiat. Biol. 67 (1995) 627
8. von Sonntag C. The Chemical Basis of Radiation Biology (1987), Taylor & Francis, London
9. Bernhard W.A. J. Phys. Chem. 93 (1989) 2187
10. Sevilla M.D., Becker D., Yan M., and Summerfield S.R. J. Phys. Chem. 95 (1991) 3410
11. Yan M., Becker D., Summerfield S., Renke P., and Sevilla M. J. Phys. Chem. 96 (1992) 1983
12. Steenken S. Chem. Rev. 89 (1989) 503
13. Steenken S. Free Rad. Res. Comms. 16 (1992) 349
14. Steenken S., Telo J.P., Novais H.M., and Candeias L.P. J. Am. Chem. Soc. 114 (1992) 4701
15. Symons M.C.R. In: Fielden E.M., and O'Neill P. (Eds). The Early Effects of Radiation on DNA (1991), Springer-Verlag, Berlin-Heidelberg 111-124
16. Sponer J., Leszczynski J., and Hobza P.J. Biomol. Struct. Dyn. 14 (1996) 117-135
17. Colson A.O., Besler B., Close D.M., and Sevilla M.D. J. Phys. Chem. 96 (1992) 661
18. Roehrig G.H., Oyler N.A., and Adamowicz L.J. Phys. Chem. 99 (1995) 14285-14289
19. Aida M., Yamane K., and Nagata C. Mutat. Res. 173 (1986) 49
20. Gould I.R., and Hillier I.H. Chem. Phys. Lett. 161 (1989) 185
21. Cieplak P., Bash P., Singh U.C., and Kollman P.A. J. Am. Chem. Soc. 109 (1987) 6283
22. Latajka Z., Person W.B., and Morokuma K. Theorchem. 135 (1986) 253
23. Mezey P.G., and Ladik J.J. Theor. Chim. Acta (Berlin) 52 (1979) 129
24. Czerminski R., Lesyng B., and Pohorille A. Int. J. Quantum Chem. 16 (1979) 605
25. Stewart E.L., Foley C.K., Allinger N.L., and Bowen J.P. J. Amer. Chem. Soc. 116 (1994) 7282
26. Sponer J., and Hobza P.J. Phys. Chem. 98 (1994) 3161
27. Leszczynski J. Int. J. Quantum Chemistry 19 (1992) 43
28. Riggs N.V. Chem. Phys. Lett. 177 (1991) 447
29. Kwiatkowski J.S., Lesing B., Palmer M.H., and Saenger W.Z. Naturforsch 37C (1982) 937
30. Sponer J., and Hobza P.J. Amer. Chem. Soc. 116 (1994) 709
31. Dive G., Dehareng D., and Ghuysen J.M. Theoretica Chimica Acta 85 (1993) 409
32. Bludsky O., Sponer J., Leszczynski J., Spirko V., and Hobza P.J. Chem. Phys. 105 (1996) 11042
33. Sponer J., and Hobza P.J. Mol. Struct. (Theochem) 304 (1994) 35
34. Hutter M., and Clark T.J. Am. Chem. Soc. 118 (1996) 7574
35. Colson A.O., Besler B., and Sevilla M.D. J. Phys. Chem. 96 (1992) 9787
36. Dee D., and Bauer M.E. J. Chem. Phys. 60 (1974) 541
37. Dougherty D., Younathan E.S., Voll R., Abdulnur S., and McGlynn S.P. J. Electron Spectrosc. Relat. Phenom. 13 (1978) 379
38. Lin J., Yu C., Peng S., Akiyama I., Li K., Lee L.K., and LeBreton P.R. J. Am. Chem. Soc. 102 (1980) 4627
39. Dougherty D., and McGlynn S.P.J. Chem. Phys. 67 (1977) 1289
40. LeBreton P.R., Yang X., Urano S., Fetzer S., Yu M., Leonard N.J., and Kumar S.J. Am. Chem. Soc. 112 (1990) 2138
41. Orlov V.M., Smirnov A.N., and Varshavsky Y.M. Tetrahedron Lett. 48 (1976) 4377
42. Hush N.S., and Cheung A.S. Chem. Phys. Lett. 34 (1975) 11
43. Yu C., Peng S., Akiyama I., Lin J., and LeBreton P.R. J. Am. Chem. Soc. 100 (1978) 2303
44. Norinder U. Theochem 151 (1987) 259
45. Urano S., Yang X., and LeBreton P.R. J. Mol. Struct. 214 (1989) 315
46. Buda A., and Sygula A. Theochem 92 (1983) 255
47. Aktekin N., and Pamuk H.O. Chim. Acta Turc. 1 (1982) 1
48. Sevilla M.D., Besler B., and Colson A.O. J. Phys. Chem. 99 (1995) 1060
49. Sugiyama H., and Saito I. J. Am. Chem. Soc. 118 (1996) 7063
50. Koopmans T.A. Physica 1 (1933) 104
51. Sevilla M.D., Becker D., and Razskazovskii Y. Nukleonika 42 (1997) 283
52. Sevilla M.D., Besler B., and Colson A.O. J. Phys. Chem. 98 (1994) 2215
53. Colson A.O., Besler B., and Sevilla M.D. J. Phys. Chem. 97 (1993) 13852
54. Compton R.N., Yoshioka Y., and Jordan K.D. Theor. Chim. Acta 54 (1980) 259
55. Oyler N.A., and Adamowicz L.J. Phys. Chem. 97 (1993) 11122
56. Rösch N., and Trickey S.B. J. Chem. Phys. 106 (1997) 8940
57. Galbraith J.M., and Schaeffer H.F.I. J. Chem. Phys. 105 (1996) 862
58. J.P. Scherman and K.H. Bowen, Private Communications.
59. Hendricks J.H., Lyapustina S.A., de Clercq H.L., Snodgrass J.T., and Bowne K.H. J. Chem. Phys. 104 (1996) 7788
60. Desfrançois C., Aboul-Carime H., and Scherman J.P. J. Chem. Phys. 104 (1996) 7792
61. Dey M., Moritz F., Grotemeyer J., and Schlag E.W. J. Am. Chem. Soc. 116 (1994) 9211
62. Yanson I.K., Teplitsky A.B., and Sukhodub L.F. Biopolymers 18 (1979) 1149
63. Poltev V.I., and Shulyppina N.V. J. Biomol. Struct. Dyn. 3 (1986) 739
64. Hobza P., and Sandorfy C. J. Am. Chem. Soc. 109 (1987) 1302
65. Aida M.J. Comput. Chem. 9 (1988) 362
66. Hrouda V., Florian J., and Hobza P. J. Phys. Chem. 97 (1993) 1542
67. Hobza P., Sponer J., and Polasek M. J. Am. Chem. Soc. 117 (1995) 792
68. Förner W., Otto P., and Ladik J. Chem. Phys. 86 (1984) 49
69. Del Bene J.E. J. Mol. Struct. (Theochem) 124 (1985) 201
70. Gould I.R., and Kollman P.A. J. Am. Chem. Soc. 116 (1994) 2493
71. Santamaria R., and Vazquez A. J. Comput. Chem. 9 (1994) 981
72. Sagarik K.P., and Rode B.M. Inorg. Chim. Acta 78 (1983) 77
73. Sponer J., Florian J., Lesczynski J., and Hobza P. J. Biomol. Struct. Dyn. 13 (1996) 827
74. Sponer J., Leszczynski J., and Hobza P.J. Phys. Chem. 100 (1996) 1965
75. Rein R., and Harris F.E. J. Chem. Phys. 41 (1964) 3393
76. Clementi E., Mehl J., and von Niessen W. J. Chem. Phys. 54 (1971) 508
77. Clementi E., Corongiu G., Detrich J., Chin S., and Domingo L. Int. J. Quantum Chem. 18 (1984) 601
78. Scheiner S., and Kern C.W. Chem. Phys. Lett. 57 (1978) 331
79. Scheiner S., and Kern C.W. J. Am. Chem. Soc. 101 (1979) 4081
80. Florian J., Hrouda V., and Hobza P. J. Amer. Chem. Soc. 116 (1994) 1457
81. Bernhard W.A. NATO ASI Ser. H. 54 (1991) 141
82. Sponer J., and Hobza P. Int. J. Quantum Chem. 57 (1996) 959
83. Sponer J., Leszczynski J., and Hobza P. J. Phys. Chem. 100 (1996) 5590
84. Alhambra C., Luque F., Gago F., and Orozco M. J. Phys. Chem. B 101 (1997) 3846
85. Sponer J., Leszczynski J., Vetterl V., and Hobza P. J. Biomol. Struct. Dyn. 13 (1996) 695
86. Nagata C., and Aida M. J. Mol. Struct. (Theochem) 179 (1988) 451
87. Kennard O., and Hunter W.N. Angew. Chem., Int. Ed. Engl. 30 (1991) 1254
88. Kopka M.L., Fratini A.V., Drew H.R., and Dickerson R.E. J. Mol. Biol. 163 (1983) 129
89. Westhof E. Int. J. Biol. Macromol. 9 (1987) 186
90. Saenger W. Annu. Rev. Biophys. Chem. 16 (1987) 93
91. Teplukhin A.V., and Poltev V.I. Mol. Biol. 24 (1990) 688
92. Sagarik K., Corongiu G., and Clementi E. J. Mol. Struct. (Theochem) 235 (1991) 355
93. Clementi E., and Corongiu G. J. Chem. Phys. 72 (1980) 3979
94. Poltev V.I., Grokhlina T.I., and Malenkov G.G. J. Biomol. Struct. Dyn. 2 (1984) 413
95. Poltev V.I., Teplukin A.V., and Malenkov G.G. Int. J. Quantum Chem. 42 (1992) 1499
96. Miaskiewicz K., Osman R., and Weinstein H. J. Am. Chem. Soc. 115 (1993) 1527
97. Pullman A., and Perahia D. Theor. Chim. Acta (Berl) 48 (1978) 29
98. Del Bene J.E. J. Comp. Chem. 2 (1983) 226
99. Del Bene J.E. J. Chem. Phys. 76 (1982) 1058
100. Del Bene J.E. J. Mol. Struct. (Theochem) 108 (1984) 179
101. Swarts S.G., Sevilla M.D., Becker D., Tokar C.J., and Wheeler K.T. Radiat. Res. 129 (1992) 333
102. Wang W., Becker D., and Sevilla M.D. Radiat. Res. 135 (1993) 146
103. Mroczka N., and Bernhard W.A. Radiat. Res. 135 (1993) 155
104. La Vere T., Becker D., and Sevilla M.D. Rad. Res. 145 (1996) 673
105. Swarts S.G., Sevilla M.D., Becker D., Tokar C.J., and Wheeler K.T. Radiat. Res. 129 (1991) 333
106. Tunis M.J.B., and Hearst J.E. Biopolymers 6 (1968) 1345
107. Goldblum A., Perahia D., and Pullman A. FEBS Lett. 91 (1978) 213
108. Eisenhaber F., Mannik J.H., and Tumanyan V.G. Biopolymers 29 (1990) 1453
109. Onsager L. J. Am. Chem. Soc. 58 (1936) 1486
110. Born M.Z. Phys. 1 (1920) 45
111. Wong M.W., Wiberg K.B., and Frisch M. J. Chem. Phys. 95 (1991) 8991
112. Cramer C.J., and Truhlar D.G. Science 256 (1992) 213
113. Rackovsky S., and Bernhard W.A. J. Phys. Chem. 93 (1989) 5006
114. Boon P.J., Cullis P.M., and Symons M.C.R. J. Chem. Soc., Perkin Trans. II (1984) 1393
115. Becker D., Razskazovskii Y., Callaghan M.U., and Sevilla M.D. Rad. Res. 146 (1996) 361
116. Kim N.S., Jiang Q., and LeBreton P.R. Int. J. Quantum. Chem. 23 (1996) 11
117. Tasaki K., Yang X., Urano S., Fetzer S., and LeBreton P. J. Am. Chem. Soc. 112 (1990) 538
118. Yu M., Kim H.S., and LeBreton P.R. Biochem. Biophys. Res. Commun. 184 (1992) 16
119. LeBreton P.R., and Kim H.S. Abstracts ACS Division of Physical Chemistry 204th ACS National Meeting (1992) 239
120. Colson A.O., Besler B., and Sevilla M.D. J. Phys. Chem. 97 (1993) 8092
121. Schneider B., Kabelac M., and Hobza P. J. Am. Chem. Soc. 118 (1996) 12207
122. Gregoli S., Olast M., and Bertinchamps A. Radiat. Res. 60 (1974) 388
123. Box H.C., and Budzinski E.E. J. Chem. Phys. 62 (1975) 197
124. Bernhard W.A., Close D.M., Mercer K.R., and Corelli J.C. Radiat. Res. 66 (1976) 1932
125. Close D.M., Fouse G.W., and Bernhard W.A. J. Chem. Phys. 66 (1977) 4689
126. Fitchett M., Gilbert B.C., and Wilson R.L. J. Chem. Soc., Perkin Trans. II (1988) 673
127. Hole E.O., Nelson W.H., Sagstuen E., and Close D.M. Radiat. Res. 129 (1992) 119
128. Hole E.O., and Sagstuen E. Radiat. Res. 109 (1987) 190
129. Prakash Rao P.J., Bothe E., and Schulte-Frohlinde D. Int. J. Radiat. Biol. 61 (1992) 577
130. Adinarayana M., Bothe E., and Schulte-Frohlinde D. Int. J. Radiat. Biol. 54 (1988) 723
131. Scholes M.L., Schuchmann M.N., and von Sonntag C. Int. J. Radiat. Biol. 61 (1992) 443
132. Hüttermann J. Radical Ionic Systems (1991), Kluwer Academic, Norwell, MA
133. Schuchmann M.N., and von Sonntag C.J. Chem. Soc. Perkin 2 (1977) 1958
134. Fitchett M., and Gilbert B.C. Life Chemistry Reports 3 (1985) 57
135. Close D.M., Nelson W.H., Sagstuen E., and Hole E.O. Radiat. Res. 137 (1994) 300
136. Luo N., Kombo D.C., and Osman R. J. Phys. Chem. A 101 (1997) 926
137. Pardo L., Banfelder J.R., and Osman R. J. Am. Chem. Soc. 114 (1992) 2382
138. Colson A.O., and Sevilla M.D. J. Phys. Chem. 99 (1995) 3867
139. Wang W., Razskazovskii Y., and Sevilla M.D. Int. J. Radiat. Biol. 71 (1997) 387
140. Hazra D.K., and Steenken S.J. Am. Chem. Soc. 105 (1983) 4380
141. Fujita S., and Steenken S.J. Am. Chem. Soc. 103 (1981) 2540
142. O'Neill P., and Fielden E.M. In: Lett J.T., and Adler H. (Eds). Advances in Radiation Biology (1993), Academic Press, New York
143. Krauss M., and Osman R. J. Phys. Chem. 97 (1993) 13515
144. Krauus M., and Osman R. J. Phys. Chem. A. 101 (1997) 4117
145. Cysewski P., Jeziorek D., Olinski R., and Woznicki W. J. Phys. Chem. 99 (1995) 9702
146. Colson A.O., and Sevilla M.D. J. Phys. Chem. 99 (1995) 13033
147. O'Neill P. Radiat. Res. 96 (1983) 198
148. Wang W., and Sevilla M.D. Int. J. Radiat. Biol. 66 (1994) 683
149. Dizdaroglu M. Handbook of Free Radicals and Antioxidants in Medicine (1989), CRC Press, Boca Raton 321-326
150. Hehre W.J. Practical Strategies for Electronic Structure Calculations (1995), Wavefunction, Ind., Irvine California 127-146
151. Hehre W.J., Radom L., Schleyer P.v.R., and Pople J.A. Ab Initio Molecular Orbital Theory (1986), Wiley, New York
152. Rauk A., Yu D., and Armstrong D.A. J. Am. Chem. Soc. 119 (1997) 208
153. Armstrong D.A., and Rauk A. Can. J. Chem. 74 (1996) 1192
154. Vajenine G.V., and Hoffman R. Inorg. Chem. 35 (1996) 451
155. Colso A.O., Becker D., Eliezer I., and Sevilla M.D. J. Phys. Chem. A. 101 (1997) 8935
156. Stepanian S.G. J. Mol. Struct. 270 (1992) 459
157. Mitchell D.L. Photochem. Photobiol. 54 (1991) 741
158. Görner H. J. Photochem. Photobiol. B 10 (1991) 91
159. Colson A.O., and Sevilla M.D. J. Phys. Chem. 100 (1996) 4420
160. Miaskiewicz K., Miller J., and Osman R. Biochim. Biophys. Acta 1218 (1994) 283
161. Klayman D.L., and Copeland E.S. In: Kirk R.E., and Othmer D.F. (Eds). Encyclopedia of Chemical technology (1982), John Wiley, New York 801
162. Cullis P.M., Jones G.D.D., Lea J., Symons M.C.R., and Sweeney M. J. Chem. Soc. Perkin Trans. II (1987) 1907
163. Prütz W.A., and Mönig H. Int. J. Radiat. Biol. 52 (1987) 677
164. Alnajjar M.S., Garrossian M.S., Autrey S.T., Ferris K.F., and Franz J.A. J. Phys. Chem. 96 (1992) 7037
165. Colson A.O., and Sevilla M.D. J. Phys. Chem. 98 (1994) 10484
166. Becke A.D. J. Chem. Phys. 98 (1993) 1372
167. Cohen M.J., and Chong D.P. Chem. Phys. Lett. 234 (1995) 405
168. Barone V. Theor. Chim. Acta 91 (1995) 113
169. Curtiss L.A., Redfern P.C., Raghavachari K., and Pople J.A. J. Chem. Phys. 109 (1998) 42
170. Wetmore S.D., Boyd R.J., and Eriksson L.A. J. Chem. Phys. 106 (1997) 7738
171. Hobza P., Sponer J., and Reschel T. J. Comput. Chem. 11 (1995) 1315
172. Sponer J., Leszczynski J., and Hobza P. J. Comput. Chem. 17 (1996) 841