电磁场作用下AMP水溶液氢键与介电特性研究（英文）

Studies on Hydrogen-Bond and Dielectric Response of AMP Aqueous Solution under External Electromagnetic Fields

利用分子动力学模拟了纯水与磷酸腺苷水溶液在各种电场强度下的介电特性。随着电场强度的增加水壳层的结构发生变化,磷酸腺苷第一水壳层被强化。介电常数随着电场强度的增加而减小。分子极化率随着电场强度的增加逐渐增加,随着场强的增加水分子之间的平均氢键数增加,氢键寿命变长。磷酸腺苷分子在电场的作用下分子结构变化明显。

Molecular dynamics simulations of pure water and adenosine mono-phosphate （AMP） aque- ous solutions are carried out under different electromagnetic （E/M） field. With increasing E/M field strength, the water structure changes greatly, the first hydration shell of AMP is enhanced, the static die- lectric constant is decreased, the molecular polarizability is increased, the average hydrogen-bond number between water molecules is increased and the hydrogen-bond lifetime is longer. The structure of AMP molecule changes obviously under the action of E/M field.