X-ray absorption near edge structure of DNA bases around oxygen and nitrogen K-edge
作者： Kentaro Fujii , Ken Akamatsu , Yasuji Muramatsu , Akinari Yokoya
DOI: 10.1016/S0168-583X(02)01538-0
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摘要: Abstract X-ray absorption near edge structure (XANES) spectra of DNA and the nucleobases (adenine, guanine, cytosine, thymine uracil) are observed using monochromatic soft X-rays (400–560 eV). The photon energy range includes electron binding core orbital nitrogen oxygen K shell. Obtained XANES showing a characteristic were theoretically analyzed by discrete variational density functional formalism (DV-Xα) method. These results clearly indicate that photo-excitation 1s to π* orbitals shows sharp resonance profile rather than σ* orbitals, enough realize selecting photochemical reaction site at specific in molecule. Novel experiments proposed based on obtained understand molecular mechanisms radiation damages bases.
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