title: Study on the oxidation form of adenine in phosphate buffer solution.
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.
authors.affiliation: 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. songyuanzhi@126.com
authors.forename: Yuan-Zhi
authors.initials: YZ
authors.lastname: Song
authors.forename: Jian-Feng
authors.initials: JF
authors.lastname: Zhou
authors.forename: Feng-Xia
authors.initials: FX
authors.lastname: Zhu
authors.forename: Yong
authors.initials: Y
authors.lastname: Ye
authors.forename: Ji-Min
authors.initials: JM
authors.lastname: Xie
mesh_terms: D000225:Adenine / Q000737:chemistry*; D002021:Buffers; D055664:Electrochemical Techniques; D016011:Normal Distribution; D010084:Oxidation-Reduction; D010710:Phosphates / Q000737:chemistry*; D013056:Spectrophotometry, Ultraviolet
chemical_list: D002021:Buffers; D010710:Phosphates; D000225:Adenine; C018279:sodium phosphate