New size-expanded RNA nucleobase analogs: a detailed theoretical study.

Laibin Zhang,Zhenwei Zhang,Tingqi Ren,Jianxiang Tian,Mei Wang

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy（2015）

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摘要

New RNA nucleobase analogs: Four new size-expanded RNA base analogs were computationally designed and their structural, electronic, and optical properties are investigated by means of DFT calculations. The predictions may be helpful for experimental design of novel fluorescent nucleobase analogs.

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关键词

Density functional calculations,RNA,Nucleobases,Optical properties,Pairing effects

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