Molecular Spin Systems Based on Nucleobases

2016 Fiscal Year Final Research Report

• Project/Area Number: 15K13681
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Functional solid state chemistry
• Research Institution: Osaka City University
• Principal Investigator: SHIOMI Daisuke 大阪市立大学, 大学院理学研究科, 准教授 (40260799)
• Project Period (FY): 2015-04-01 – 2017-03-31
• Keywords: 核酸 / ラジカル / スピン / 磁性体 / 分子力学法 / 分子力場計算 / DNA

Outline of Final Research Achievements

We propose an approach to rationalized organization of open-shell molecules, which is based on hydrogen-bonded nucleobases as found in DNA. Bio-inspired motifs of the hydrogen bonding lead to controllable organization of spin-labeled nucleobases, giving molecular magnetic systems. An aspect of the bio-inspired magnetics is complexation with single-stranded oligonucleotides (SS-DNA). The closed-shell SS-DNA can be a template for organization of the open-shell molecules, where the spin-labeled nucleobases should be assembled according to the base sequence of DNA. We have designed a series of nitronyl nitroxide radicals substituted with nucleobases such as cytosine (C), guanine (G), adenine (A), thymine (T), diaminotriazine (dAt), and isocytosine (iC). Molecular mechanics calculations have shown that dAt and iC bases give stable complexes with SS-DNA in water. Possibilities of rationalized organization of spin-labeled nucleobases as building blocks of molecular magnets are discussed.

Free Research Field

物理化学・磁気化学