First-principles study of β-type DNA phonon by using an infinite model

Shigeki Saito, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Masahiko Katagiri

研究成果: Conference contribution

抄録

The vibrational modes of a β-type DNA were evaluated using first-principles calculations of an infinite model. Localized modes, consisting of bending motions in adenine-thymine (A-T) base pairs, were fully specified. Unlocalized modes in the mid-infrared were attributable to phonon motions in nucleobase pairs and the phosphoester frame. The assignment of phonon modes correlated strongly with the base sequence. This method presents a consistent and practical first-principles technique for spectral and biochemical analyses of DNA.

本文言語English
ホスト出版物のタイトルPhonon Engineering for Enhanced Materials Solutions - Theory and Applications
ページ91-96
ページ数6
1221
出版ステータスPublished - 2010 12 1
イベント2009 MRS Fall Meeting - Boston, MA, United States
継続期間: 2009 11 302009 12 4

Other

Other2009 MRS Fall Meeting
国/地域United States
CityBoston, MA
Period09/11/3009/12/4

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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