【摘要】 用拉曼光谱和密度泛函方法研究了尿素和磷脂溶液的相互作用。光谱实验结果表明,尿素的NH2的伸缩振动移向低波数,磷脂的PO2的伸缩振动移向高波数。在B3LYP/6-31+G水平上,对磷脂模型化合物和尿素之间的相互作用进行了理论计算,所得结果很好地解释了观察到的实验现象。从而得到了尿素和磷脂之间可以形成氢键的证据。更多还原

【Abstract】 The interaction of lipid with urea was studied by means of Raman spectroscopy and quantum chemical calculations. The experimental results show that the stretch vibrations of NH₂ in urea shift to low frequency and the symmetric stretch vibration of PO₂ in DPPC shifts to high frequency. Theoritical studies of the interaction between lipid model compound and urea were carried out at the level of B3LYP/6-31+G**, and observed experimental phenomena were explained well with calculated results. It is concluded that the evidence for the interaction of hydrogen bond between lipid and urea is found.更多还原