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

Shigeki Saito; Hiroshi Mizuseki; Yoshiyuki Kawazoe; Masahiko Katagiri

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

Shigeki Saito, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Masahiko Katagiri

未来科学技術共同研究センター

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
巻	1221
出版ステータス	Published - 2010 12月 1
イベント	2009 MRS Fall Meeting - Boston, MA, United States 継続期間: 2009 11月 30 → 2009 12月 4

Other

Other	2009 MRS Fall Meeting
国/地域	United States
City	Boston, MA
Period	09/11/30 → 09/12/4

ASJC Scopus subject areas

材料科学（全般）
凝縮系物理学
材料力学
機械工学

他のファイルとリンク

引用スタイル

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AU - Saito, Shigeki

AU - Mizuseki, Hiroshi

AU - Kawazoe, Yoshiyuki

AU - Katagiri, Masahiko

PY - 2010/12/1

Y1 - 2010/12/1

N2 - 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.

AB - 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.

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M3 - Conference contribution

AN - SCOPUS:79952064747

SN - 9781617822087

VL - 1221

SP - 91

EP - 96

BT - Phonon Engineering for Enhanced Materials Solutions - Theory and Applications

T2 - 2009 MRS Fall Meeting

Y2 - 30 November 2009 through 4 December 2009

ER -

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

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Other

ASJC Scopus subject areas

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