基于太赫兹技术的药物检测
Drug detection by terahertz time-domain spectroscopy
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摘要: 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。Abstract: Due to unique spectral region, functional imaging ability, excellent penetration and safety characteristics of terahertz radiation, the terahertz technology rapidly becomes a vital meth-od to detect and analyze drugs. In this paper, firstly, we identify the functional groups of anti-diabetic drugs by density functional theory (DFT), HIPHOP models and experimental results from terahertz time-domain spectroscopy measurements. Secondly, we identify four kinds of herbs of radix curcum-ae by using the support vector machine (SVM) analysis. Besides, we analyze the absorption of anhy-drous and hydrous glucose, and determine the state of water in the crystalized D-glucose·H2O through the results of differential scanning calorimetry measurement. Finally, we summarize the advantages and disadvantages of terahertz time-domain spectroscopy method in drug detection and analyzation.
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