2014 Fiscal Year Final Research Report
Quantum chemical investigation of various photochemical processes in nucleic acid base multimer
| Project/Area Number |
25888003
|
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| Research Category |
Grant-in-Aid for Research Activity Start-up
|
| Allocation Type | Single-year Grants |
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| Research Field |
Physical chemistry
|
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| Research Institution | Hirosaki University |
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Principal Investigator |
|
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| Project Period (FY) |
2013-08-30 – 2015-03-31
|
| Keywords | 核酸塩基 / 光化学 / 水素結合 / 計算化学 / 理論化学 / 無輻射失活 / 異性体 / 置換体 |
|---|
| Outline of Final Research Achievements |
Electronic-structure calculations with the molecular orbital method as well as molecular dynamics simulations have been performed to elucidate the mechanisms of ultrafast nonradiative decay in nucleic acid bases and their multimers, which might be responsible for the photostability of DNA, at the molecular level. As a result, it has been found that photophysical behavior of uric acid and thymine is largely affected by a small number of hydrogen bonds. This finding suggests that hydrogen bond may play an essential role also in the photochemical processes of nucleobase multimers, which include interbase hydrogen bonds.
|
| Free Research Field |
化学
|
