| 磷脂与尿素相互作用的振动光谱和理论计算研究 |
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| 引用本文： | 李庆忠,安秀林.磷脂与尿素相互作用的振动光谱和理论计算研究[J].黑龙江大学自然科学学报,2005,22(3):309-312. |
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| 作者姓名： | 李庆忠 安秀林 |
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| 作者单位： | 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 |
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| 基金项目： | 国家自然科学基金资助项目(20133030) |
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| 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。
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| 关 键 词： | 磷脂 尿素 拉曼光谱 相互作用 蓝移 |
| 文章编号： | 1001-7011(2005)03-0309-04 |
| 修稿时间： | 2005年1月17日 |
Interaction between lipid and urea studied with vibrational spectroscopy and quantum chemical calculations |
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| LI Qing-zhong,AN Xiu-lin.Interaction between lipid and urea studied with vibrational spectroscopy and quantum chemical calculations[J].Journal of Natural Science of Heilongjiang University,2005,22(3):309-312. |
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| Authors: | LI Qing-zhong AN Xiu-lin |
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| Institution: | LI Qing-zhong 1,AN Xiu-lin 2 |
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| 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 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. |
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| Keywords: | lipid urea Raman spectroscopy interaction blueshift |
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