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/Territory | 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