| Project/Area Number |
15310088
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Nanomaterials/Nanobioscience
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| Research Institution | Toyohashi University of Technology |
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Principal Investigator |
KURITA Noriyuki Toyohashi University of technology, Department of engineering, Associate professor, 工学部, 助教授 (40283501)
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| Co-Investigator(Kenkyū-buntansha) |
TANAKA Shigenori Kobe University, Graduate school of science and technology, Professor, 大学院・自然科学研究科, 教授 (10379480)
伊藤 聡 東芝, 研究開発センター, 主任研究員(研究職)
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| Project Period (FY) |
2003 – 2005
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| Project Status |
Completed (Fiscal Year 2005)
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| Budget Amount *help |
¥13,200,000 (Direct Cost: ¥13,200,000)
Fiscal Year 2005: ¥2,400,000 (Direct Cost: ¥2,400,000)
Fiscal Year 2004: ¥2,500,000 (Direct Cost: ¥2,500,000)
Fiscal Year 2003: ¥8,300,000 (Direct Cost: ¥8,300,000)
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| Keywords | DNA chip / molecular dynamics simulation / molecular orbital calculation / DNA charge transfer / crrent-voltage property / quantum chemical calculation / 電流電圧特性 / フロンティア分子軌道 / 電荷平衡法 / フラグメント分子軌道法 |
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| Research Abstract |
Electrochemical DNA chips determine the sequence of DNA bases by detecting the change in charge conductivity through single- or double-strand DNA. Experimentally, double-strand DNAs were found to conduct much greater electric current than single-strand DNAs. To gain insight into the underlying mechanism leading to such a disparity in charge conductivity, the hole/electron conductivities in single- and double-strand DNAs were theoretically examined by molecular dynamics and molecular orbital (MO) calculations. The hole/electron transfer integrals between the neighboring DNA bases were estimated from the frontier MO energy levels. The current-voltage characteristics of single- and double-strand DNAs, derived from the transfer integrals and the site energy of each DNA base, are qualitatively in agreement with experiment.
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