| 基于太赫兹精密波谱的麻精药物艾司唑仑定性定量分析测定 |
| 投稿时间：2024-04-22 修订日期：2024-05-23 点此下载全文 |
| 引用本文： |
| 摘要点击次数: 37 |
| 全文下载次数: 0 |
|
| 基金项目:国家自然科学(61988102,62335012)；国家重点研发计划项目(2022YFA1404004) |
|
| 中文摘要:本研究开发了一种基于太赫兹波谱技术的艾司唑仑快速检测方法，以期解决高效液相色谱法（HPLC）在检测过程中的前处理繁琐、样品损耗、耗时长和成本高等问题。首先，我们采用密度泛函理论（DFT）方法，预测了艾司唑仑在0.9~20.0 THz频段内的分子振动模式，建立了定性分析方法。其次，通过分析艾司唑仑含量与太赫兹特征峰的相关性，构建了高拟合度的定量分析模型。进一步地，对22例不同厂家生产的艾司唑仑药品进行太赫兹波谱解析，结合支持向量回归算法，实现了与HPLC方法相比平均绝对误差仅为1.12%的准确定量。本方法具有操作简便、分析速度快、成本低廉和无损检测等优点，为特殊药品的质量控制提供了一种新的分析策略，具有推广至其他麻精药物质量评价研究的潜力。 |
| 中文关键词:波谱学 药物定性定量分析 太赫兹波谱技术 定量工作曲线 支持向量机回归 |
| |
| Qualitative and Quantitative Analysis of Estazolam Based on Terahertz Precision Spectroscopy |
|
|
| Abstract:In this work, we proposed a fast approach to estazolam determination using terahertz wave spectroscopy. This method addresses the limitations of tedious pre-treatment, sample loss, high expense, and time-consuming high-performance liquid chromatography (HPLC) in estazolam detection. First, we developed a qualitative analysis approach and utilized a density-functional theory (DFT) method for calculating the molecular vibration modes of estazolam in the frequency range of 0.9~20.0 THz. Second, the correlation between the terahertz characteristic peaks and the estazolam content was analyzed in order to create a high-fit quantitative analysis model. Additionally, the support vector regression algorithm was utilized to resolve the terahertz spectra of 22 instance of estazolam medications made by various manufacturers. This resulted in an accurate quantification with an average absolute error of only 1.12% when compared to the HPLC results. With the benefits of simple operation, quick analysis, inexpensive cost, and non-destructive detection, this approach offers a novel analytical approach for special medication quality control and may be expanded to investigate the assessment of quality in additional anesthetic drug classes. |
| keywords:spectroscopy,qualitative and quantitative analysis of medicine,terahertz wave spectroscopy techniques,quantitative working curves,support vector machine regression |
| HTML 查看/发表评论 下载PDF阅读器 |