【作者】 岳伟伟；

【导师】 王卫宁；

【作者基本信息】 首都师范大学 ， 光学， 2005， 硕士

【摘要】 本文利用本校物理系THz光谱与成像实验室,在室温氮气环境中,对11种氨基酸样品进行了包括样品制备、光路设计、数据处理软件的开发和实验数据处理、运用前人提取材料THz光学参数的物理模型进行计算等工作,取得了如下的新颖认识和成果:(1)提取了所研究样品的吸收系数和折射率等光学参数,获得了具有高分辨率的特征吸收谱和折射率谱,建立了它们在该波段的指纹谱;其中7种氨基酸的参数在国际上尚未见有报道;(2)通过对样品在THz波段的色散特性分析,揭示了其色散变化的规律,使氨基酸分子在整个红外区域的特征谱更加完整;(3)将实验与计算结果对比,得出利用Gaussian03集成的半经验理论对氨基酸的理论吸收谱进行计算得到的结果与实验吸收谱有更好的吻合性;结合计算结果对实验吸收峰的成因进行了合理解释;(4)利用Matlab编程语言,开发了适用于透射型THz时域光谱数据处理的软件,并投入有效的运用中。 本文的研究成果,对于探索运用THz时域光谱技术研究其它氨基酸分子和肽、蛋白质等其它复杂生物大分子,提取有关分子的构象信息,促进THz技术在生物领域的光谱学研究,对于实验数据的自动处理都有其重要的理论与实践意义。更多还原

【Abstract】 A general review of THz time-domain spectroscopy of biological molecules is provided in this paper, including sample preparation, optical path design, data processing and spectrum analysis; a program for THz data processing is empoldered by the Matlab language. Considering the phase jump of the data, this program can not only calculate the correct result, but also fasten the speed of data process. The optical characteristics of 11 kinds of amino acids are detected by THz time domain spectroscopy under the condition filled with Nitrogen at room temperature. The absorption and dispersion spectrums are obtained based on the physical model represented by T.D.Doraey and L.D.Duvillaret to abstract the optical parameters of materials in THz range and then the fingerprint of each sample is built in THz range. Comparing the spectrums of absorption and refractive index of the same sample, the relationship between absorption and dispersion is discussed and the Kundt Rule is validated in THz range. The theoretical absorption spectrums of some experimental amino acids are also simulated by Gaussian03 software package. Comparing the different results calculated by different theory models in Gaussian03 with experimental results, the suitable theory for THz spectrum analysis is selected. With the simulated result, the corresponding vibrational models of every absorption peaksare discussed and identified. The results not only fill up the spectra gap of amino acids in far-infrared range, supply data for amino acid molecular identification and conformation analysis, but also provide reference for studying other complex biological molecules by THz time-domain spectroscopy.更多还原