论文部分内容阅读
鉴于太赫兹辐射特有的光谱分辨性、功能性成像特点以及良好的穿透性和安全性等,太赫兹波谱技术迅速成为物质分析与检测等的重要工具。文章基于太赫兹时域光谱技术的实验数据,结合泛函密度理论(DFT)和HIPHOP模型,对一系列降糖类药物进行分子解析和功能基团识别;结合支持向量机理论(SVM),对4种郁金类中草药进行分析识别;并结合差式扫描量热法对葡萄糖—水合物的结晶水状态进行测定;最后对太赫兹时域技术在药物检测方面的优势和不足做了进一步的分析与展望。
Terahertz spectroscopy has rapidly become an important tool for material analysis and detection, due to the spectral resolution, functional imaging characteristics, and good penetration and safety unique to terahertz radiation. Based on the experimental data of terahertz time-domain spectroscopy, combined with functional density functional theory (DFT) and HIPHOP model, a series of hypoglycemic agents were molecularly analyzed and identified by functional groups. Combined with support vector machine theory (SVM) 4 kinds of Chinese herbal medicine were identified and identified; combined with differential scanning calorimetry glucose-hydrate crystal water state was measured; Finally, the advantages and disadvantages of the terahertz time-domain technique in drug testing were further analyzed And Outlook.