磷脂与尿素相互作用的振动光谱和理论计算研究  

Interaction between lipid and urea studied with vibrational spectroscopy and quantum chemical calculations

作　　者：李庆忠[1] 安秀林[2] 

机构地区：[1]清华大学化学系,北京100084 [2]河北北方学院基础农学部,河北张家口075131

出　　处：《黑龙江大学自然科学学报》2005年第3期309-312,共4页Journal of Natural Science of Heilongjiang University

基　　金：国家自然科学基金资助项目(20133030)

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。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 NH_2 in urea shift to low frequency and the symmetric stretch vibration of PO_2 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.

关 键 词：磷脂 尿素 拉曼光谱 相互作用 蓝移 

分 类 号：O61423[理学—无机化学]