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Volumn 4, Issue 21, 2002, Pages 5346-5352

DNA-base radicals. Their base pairing abilities as calculated by DFT

Author keywords

[No Author keywords available]

Indexed keywords

8 HYDROXYGUANINE; ADENINE; CYTOSINE; DNA; GUANINE; RADICAL; THYMINE;

EID: 0036977308     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b204842f     Document Type: Article
Times cited : (35)

References (87)
  • 15
    • 85069114497 scopus 로고    scopus 로고
    • note
    • a = 9.4 for guanosine (ref. 16) and pKa = 3.90 for its radical cation (ref. 17)
  • 18
    • 85069100581 scopus 로고    scopus 로고
    • note
    • -1 less favorable than on N1-nitrogen atom for the guanine radical cation. See ref. 19.
  • 32
    • 85069105838 scopus 로고    scopus 로고
    • note
    • ·+ (ref. 33).
  • 65
    • 85069111719 scopus 로고    scopus 로고
    • note
    • transl. The enthalpy is calculated with ΔH = ΔE + RT (R = gas constant and T the temperature), see ref. 60.
  • 66
    • 85069113368 scopus 로고    scopus 로고
    • note
    • The experimental value was determined by subliming crystals of methylguanine and methylcytosine at a point surface where the formation of base complexes could occur due to realistic probability of molecular collision. The bases and base pairs were then ionized with an inhomogenous electric field and the ions produced were ejected by the field to the mass analyzer. The relationship between the mass-spectroscopic line intensities was then used to derive the association constants of the molecular pairs formed, G-C and C-C in this case. The ΔH was deduced from the association constants collected at different temperatures of the sublimation element.
  • 67
    • 85069117063 scopus 로고    scopus 로고
    • note
    • Even more types of G-C base pairs can be formed.
  • 69
    • 85069112086 scopus 로고    scopus 로고
    • note
    • 2+, because of their large size, require CPU time significantly above our present calculation possibilities.
  • 73
    • 85069095722 scopus 로고    scopus 로고
    • note
    • 2+ have no significance for "naturally occurring" DNA. They are nonetheless presented because of their potential theoretical interest.
  • 76
    • 85069119065 scopus 로고    scopus 로고
    • note
    • +(-14.3363).
  • 78
    • 85069101903 scopus 로고    scopus 로고
    • note
    • 79which provides experimental evidence for their existence.
  • 81
    • 85069120512 scopus 로고    scopus 로고
    • note
    • -1 (refs. 36, 39 and 49).
  • 85
    • 85069089797 scopus 로고    scopus 로고
    • note
    • ·, which would have to be EPR-silent for which there is experimental evidence (ref. 68).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.