Effects of Bases on the Stabilities of Nucleoside C4′ Radicals

Chinese Chemical Letters

Volumn 14, Issue 10, 2003, Pages 1073-1076

  Lin, Bo Lin ^a   Fu, Yao ^a   Liu, Lei ^a   Guo, Qing Xiang ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Bond energy; DNA lesion; Homolysis; Nucleoside; Substituent effect

Indexed keywords

DNA; NUCLEOSIDE; RADICAL; RNA;

ACCURACY; ALKALINITY; ARTICLE; CHEMICAL BOND; DISSOCIATION CONSTANT; ENTHALPY; MOLECULAR STABILITY; PREDICTION; THEORETICAL MODEL;

EID: 0242720606     PISSN: 10018417     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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18. Similar insensitivity of the substituent effects towards theoretical methods was found for a number of systems before. See: (a) Y.H. Cheng, X. Zhao, K.S. Song et al., J. Org. Chem., 2002, 67, 6638. (b) Y. Fu, B.L. Lin, K.S. Song et al., J. Chem. Soc. Perkin Trans. 2, 2002, 1223. (c) Y.H. Cheng, Y. Fang, X. Zhao et al., Bull. Chem. Soc. Jpn., 2002, 75, 1715. (d) Y.H. Cheng, L. Liu, K.S. Song et al., J. Chem. Soc. Perkin Trans. 2, 2002, 1406.
19. Similar insensitivity of the substituent effects towards theoretical methods was found for a number of systems before. See: (a) Y.H. Cheng, X. Zhao, K.S. Song et al., J. Org. Chem., 2002, 67, 6638. (b) Y. Fu, B.L. Lin, K.S. Song et al., J. Chem. Soc. Perkin Trans. 2, 2002, 1223. (c) Y.H. Cheng, Y. Fang, X. Zhao et al., Bull. Chem. Soc. Jpn., 2002, 75, 1715. (d) Y.H. Cheng, L. Liu, K.S. Song et al., J. Chem. Soc. Perkin Trans. 2, 2002, 1406.
20. Similar insensitivity of the substituent effects towards theoretical methods was found for a number of systems before. See: (a) Y.H. Cheng, X. Zhao, K.S. Song et al., J. Org. Chem., 2002, 67, 6638. (b) Y. Fu, B.L. Lin, K.S. Song et al., J. Chem. Soc. Perkin Trans. 2, 2002, 1223. (c) Y.H. Cheng, Y. Fang, X. Zhao et al., Bull. Chem. Soc. Jpn., 2002, 75, 1715. (d) Y.H. Cheng, L. Liu, K.S. Song et al., J. Chem. Soc. Perkin Trans. 2, 2002, 1406.
21. There are many stable conformations for each nucleoside. (See ref. 4, 6) To simplify the calculation and make the calculation results more relevant to biochemistry, we used the conforma-tions documented in the database of Gauss View 2.1 as the starting point for geometry optimi-zation for all the nucleosides.