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.
|ホスト出版物のタイトル||Phonon Engineering for Enhanced Materials Solutions - Theory and Applications|
|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 30 → 2009 12 4
|Other||2009 MRS Fall Meeting|
|Period||09/11/30 → 09/12/4|
ASJC Scopus subject areas