药物共晶和生物传感器的太赫兹光谱研究

发布时间：2018-03-10 21:49

本文选题：太赫兹　切入点：太赫兹时域光谱技术　出处：《南京大学》2017年硕士论文　论文类型：学位论文

【摘要】：太赫兹(Terahertz,简称THz)波是指频率为0.1 THz-10THz的电磁波,这个频率的光子能量低,不会对生物大分子产生电离化的效应,且生物大分子之间的振动和转动能级也正好位于THz频谱范围。因此THz光谱可以在生物和医学领域发挥重要的作用。基于超短THz脉冲产生与探测技术而发展的太赫兹时域光谱技术(Terahertz time-domain spectroscopy,简称THz-TDS),是一种相干探测技术,可同时得到THz信号的幅度和相位信息,从而计算出样品的折射率和吸收系数等光学参数。它已成为THz科学技术领域的一种重要技术手段。本论文首先介绍了太赫兹波的相关基础知识,以及THz-TDS技术及参数提取方法。我们结合以上内容,研究了药物共晶和可实时监测生物细胞的太赫兹传感器:1、药物共晶的探寻和使用,为药物新用途合成提供了方便,可以为药物拓宽使用途径提供了新的理论基础,为最佳药物固体形态的确定提供选择依据。我们利用THz-TDS技术测量了药学试剂巴比妥与苯甲酸、戊二酸、丁二酸、丙二酸的THz光谱,并分析了它们在THz波段下的特性。具体来说,研究了常温下巴比妥与丁二酸、苯甲酸、丙二酸、戊二酸的共晶,根据其图谱发现,THz-TDS有明显的变化,又结合了 XRD图谱和红外光谱,证明其成功地产生了共晶。推测了巴比妥与几种酸结合时可能存在的氢键模式,运用GaussView 5.0软件,分别将其结构画出,再将画出的结构导入Gaussian09软件,利用DFT半经验理论,B3LYP方法,6-311g(d,p)基组,计算了共晶的理论图谱,根据与实际测量图谱的比较,可了解共晶中分子间作用。2、基于电磁超材料的太赫兹传感器有着广阔的应用前景。针对现有监测技术存在的问题和不足,我们研究并设计了一种新型高灵敏,可实时监测细胞的太赫兹传感器,来对细胞的动态过程进行随时的无损监测。通过实时监测,来帮助了解细胞的作用机制,为预防和控制疾病提供依据。该传感器实现了太赫兹波段高灵敏,可实时监测的传感测量以及生物传感识别的高灵敏度测量。
[Abstract]:The terahertz wave is an electromagnetic wave with a frequency of 0. 1 THz-10THz, which has a low photon energy and does not produce ionizing effects on biomolecules. The vibrational and rotational energy levels between biomolecules are also located in the THz spectrum. Therefore, the THz spectrum can play an important role in biological and medical fields. Terahertz developed based on ultrashort THz pulse generation and detection technology. Terahertz time-domain spectroscopy (THz-TDS) is a coherent detection technique. The amplitude and phase information of THz signal can be obtained at the same time. Thus, the optical parameters such as refractive index and absorption coefficient of the sample are calculated. It has become an important technical means in the field of THz science and technology. This paper first introduces the basic knowledge of terahertz wave. Combined with the above contents, we have studied the drug eutectic and THz sensor: 1, which can be used to monitor biological cells in real time. The exploration and application of drug eutectic provides convenience for the synthesis of new drug applications. It can provide a new theoretical basis for broadening the use of drugs, and provide a selection basis for the determination of the best drug solid form. We have measured the pharmaceutical reagents barbitone and benzoic acid, glutaric acid, succinic acid, and succinic acid by THz-TDS technique. The THz spectra of malonic acid and their characteristics in the THz band were analyzed. Specifically, the eutectic properties of bitol and succinic acid, benzoic acid, malonic acid and glutaric acid at room temperature were studied. Combined with XRD and IR spectra, it was proved that eutectic was successfully produced. The possible hydrogen bonding modes in the binding of barbitol with several acids were deduced, and their structures were drawn by using GaussView 5.0 software. Then the structure is introduced into Gaussian09 software, and the theoretical atlas of eutectic is calculated by using the B3LYP method of DFT semi-empirical theory, and the theoretical atlas of eutectic is calculated according to the comparison with the actual measurement atlas. The terahertz sensor based on electromagnetic supermaterial has a broad application prospect. In view of the problems and shortcomings of the existing monitoring technology, we have studied and designed a new type of high sensitivity sensor. A terahertz sensor that can monitor cells in real time to monitor the dynamic process of cells at any time. Through real-time monitoring, it helps to understand the mechanism of cell action. The sensor can be used to detect and control diseases in terahertz band with high sensitivity and real-time monitoring, as well as high sensitivity measurement for biosensor identification.
【学位授予单位】：南京大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：TP212;O441

【相似文献】