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Study on the oxidation form of adenine in phosphate buffer solution |
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| Authors: | Yuan-Zhi Song [Author Vitae] Jian-Feng Zhou [Author Vitae] [Author Vitae] Yong Ye [Author Vitae] Ji-Min Xie [Author Vitae] |
| Affiliation: | a Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, School of Chemistry & Chemical Engineering, Huaiyin Normal University, Huai An 223300, People’s Republic of China b Key Laboratory for the Synthesis and Application of Organic Functional Molecules, Ministry of Education, Hubei University, Wuhan 430062, People’s Republic of China c School of Chemistry & Chemical Engineering, Jiangsu University, Zhenjiang 212013, People’s Republic of China |
| Abstract: | The oxidation of adenine in phosphate buffer solution is investigated using square-wave voltammetry and in situ UV spectroelectrochemistry. The geometry of adenine and the derivatives optimized at DFTB3LYP-6-31G (d, p)-PCM level is in agreement with the crystal structure, and the imitated UV spectra of adenine and the product at electrode are consistent with the in situ UV spectra. The relationship between the electrochemical property and the molecular structure is also discussed. The experimental and theoretical results show that the adenine oxidation origins from the neutral adenine. |
| Keywords: | Adenine Oxidation DFT Spectroelectrochemistry |
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