尿酸与水的氢键作用研究

Study on the hydrogen bond interactions of uric acid with water

尿酸与水的相互作用是进行尿酸和其他物质在水溶液中研究的基础。使用实验与理论计算相结合研究了二者在水溶液中的氢键作用及作用位点。结果表明其作用在本质上是弱氢键到中等强度氢键,且尿酸的主要作用位点为O11和H18。氢键作用的存在使尿酸的n→π∗跃迁吸收带发生蓝移,电化学氧化电位变大。

The interaction between uric acid and water is the basis for the studies of uric acid with other substances in aqueous solution.The hydrogen bond interactions and the sites between uric acid and water in aqueous solution were investigated by experiments and theoretical calculations.The results show that the hydrogen bond interactions in the system are weak⁃to⁃medium hydrogen bonds in nature,and O11 and H18 are the mainly interaction sites of uric acid.The n→π∗transition of uric acid is blueshifted and the electrochemical oxidation potential move to the positive position due to above interactions.