期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 114, 期 20, 页码 7016-7021出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp911199e
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资金
- Swedish Foundation for International Cooperation in Research and Higher Education [IG2008-2026]
- Swedish Research Council
- Swedish National Infrastructure for Computing (SNIC)
- National Basic Research Program [2004CB719901]
- National Natural Science Foundation of China [20625309, 20833003]
- China Scholarship Council (CSC)
In the present work, we have undertaken a combined experimental and theoretical study of X-ray spectroscopies for DNA base pairs, more precisely near-edge X-ray absorption, X-ray emission, and resonant inelastic X-ray scattering applied to poly(dG)center dot poly(dC) and poly(dA)center dot poly(dT) DNA duplexes. We have derived several conclusions on the nature of these X-ray spectra: the stacking of pairs has very little influence on the spectra; the spectra of a DNA composed of mixed Watson-Crick base pairs are well reproduced by linear combinations of GC and AT base pairs involved; the amine and imine nitrogens show noticeable differences as building blocks in the absorption, emission, and resonant emission spectra. The calculated spectra are in good agreement with experimental results. The ramifications of these conclusions for the use of X-ray spectroscopy for DNA are discussed.
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