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

New Industry Creation Hatchery Center (NICHe)

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

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.

Original language	English
Title of host publication	Phonon Engineering for Enhanced Materials Solutions - Theory and Applications
Pages	91-96
Number of pages	6
Volume	1221
Publication status	Published - 2010 Dec 1
Event	2009 MRS Fall Meeting - Boston, MA, United States Duration: 2009 Nov 30 → 2009 Dec 4

Other

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

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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title = "First-principles study of β-type DNA phonon by using an infinite model",

abstract = "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.",

author = "Shigeki Saito and Hiroshi Mizuseki and Yoshiyuki Kawazoe and Masahiko Katagiri",

year = "2010",

month = dec,

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language = "English",

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volume = "1221",

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note = "2009 MRS Fall Meeting ; Conference date: 30-11-2009 Through 04-12-2009",

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T1 - First-principles study of β-type DNA phonon by using an infinite model

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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UR - http://www.scopus.com/inward/citedby.url?scp=79952064747&partnerID=8YFLogxK

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

Abstract

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ASJC Scopus subject areas

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