论文部分内容阅读
胆酸和脱氧胆酸是胆汁酸中的主要成分,是人体中重要的生物表面活性剂.两种分子只相差一个羟基,在远红外和太赫兹波段有不同的吸收光谱.胆酸分子的太赫兹(THz)吸收光谱有1.26THz(42cm-1)和2.02THz(67cm-1)两个吸收峰,脱氧胆酸分子的THz吸收光谱有1.13,1.26,1.69和2.17THz(即38,42,56,72cm-1)等几个吸收峰.两个分子的THz吸收光谱都包含有1.26THz(42cm-1)峰,反映出二者结构的相似性.它们的远红外光谱都有部分频率相近的谱带,但对比之下可以观察到峰位位移和相对峰强的改变.指认了两种物质的某些可能与羧基振动有关的特征吸收峰.为找出THz光谱隐含的信息,利用Omnic程序采用二阶导数方法来处理THz光谱数据,观察到多个子峰,说明分子结构中可能存在更复杂的氢键状态.实验结果表明,远红外和THz吸收光谱是研究生物分子及鉴别生物分子结构的很好方法.
Cholic acid and deoxycholic acid are the major components of bile acids and are important biosurfactants in the body. The two molecules differ by only one hydroxyl group and have different absorption spectra in the far-infrared and terahertz bands. The THz absorption spectrum has two absorption peaks of 1.26 THz (42 cm -1) and 2.02 THz (67 cm -1). The THz absorption spectra of the deoxycholate molecules are 1.13, 1.26, 1.69 and 2.17 THz (ie, 38, 42, 56, 72cm-1), etc. The THz absorption spectra of both molecules contain 1.26THz (42cm-1) peaks, which reflect the similarities of the two structures.They have far-infrared spectra with similar partial frequencies However, in contrast, a shift in peak position and a relative peak intensity can be observed, and some of the characteristic absorption peaks of both substances that may be related to the vibration of the carboxyl group are identified. To find out the implied information of the THz spectrum, The Omnic program uses the second-order derivative method to process the THz spectral data and observes multiple sub-peaks, indicating that more complex hydrogen bonding states may exist in the molecular structure. The experimental results show that the far-infrared and THz absorption spectra are the study of biomolecules and identification of biomolecules A good way to structure.