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
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| 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
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2014: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2013: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
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| 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 / 光化学過程 / 励起状態 / 溶媒効果 / 置換基効果 / クラスター / 量子化学 / 分子軌道法 |
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| 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.
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Report
(3 results)
Research Products
(14 results)
