| 盐酸吗啡的太赫兹光谱和理论仿真分析 |
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| 引用本文： | 吴玫晓,彭 越,蒋 猛,梁 静,徐 登,杨雨健,沈春光,杨旻蔚,曾令高.盐酸吗啡的太赫兹光谱和理论仿真分析[J].太赫兹科学与电子信息学报,2021,19(3):375-379. |
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| 作者姓名： | 吴玫晓 彭 越 蒋 猛 梁 静 徐 登 杨雨健 沈春光 杨旻蔚 曾令高 |
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| 作者单位： | 1.Tera Aurora Electro-Optics Technology Co., Ltd，Shanghai 200093，China;2.Southwest Pharmacological Limited Company，Chongqing 400038，China;3.Chongqing Institute for Food and Drug Control，Chongqing 401121，China；4.NMPA Key Laboratory of Quality Monitoring of Anesthetic and Psychotropic Substances，Chongqing 401121，China |
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| 基金项目： | 国家“重大新药创制”科技重大专项资助项目(2017ZX09101001)；重庆市科研机构绩效激励引导专项资助项目(cstc2019jxjl130035) |
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| 摘 要： | 采用太赫兹时域光谱(THz-TDS)技术测量了盐酸吗啡原料药、4种辅料、中间体、成药在0.2～2 THz波段的光谱.盐酸吗啡原料药特征吸收峰为0.75 THz,1.17 THz,1.76 THz,原料药到成药的THz光谱发生了改变,中间体和成药的吸收谱有非常高的一致性,说明包衣对成药的THz光谱没有显著影响.采用密度泛...
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| 关 键 词： | 太赫兹时域光谱 盐酸吗啡 密度泛函理论 理论光谱 |
| 收稿时间： | 2020/12/22 0:00:00 |
| 修稿时间： | 2021/1/28 0:00:00 |
Terahertz spectra and theoretical simulation analysis of morphine hydrochloride |
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| WU Meixiao,PENG Yue,JIANG Meng,LIANG Jing,XU Deng,YANG Yujian,SHEN Chunguang,YANG Minwei,ZENG Linggao.Terahertz spectra and theoretical simulation analysis of morphine hydrochloride[J].Journal of Terahertz Science and Electronic Information Technology,2021,19(3):375-379. |
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| Authors: | WU Meixiao PENG Yue JIANG Meng LIANG Jing XU Deng YANG Yujian SHEN Chunguang YANG Minwei ZENG Linggao |
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| Abstract: | Terahertz Time-Domain Spectroscopy(THz-TDS) technology is utilized to measure the spectra of morphine hydrochloride raw material, four excipients, intermediate and pharmaceutical in 0.2-2 THz. The characteristic absorption peaks of morphine hydrochloride raw material appear at 0.75 THz,1.17 THz and 1.76 THz, and the THz spectra change from raw material to pharmaceutical. The absorption spectra of intermediates and pharmaceuticals are highly consistent, indicating that the coating has no significant effect on the THz spectra of pharmaceutical. Morphine hydrochloride molecules are calculated by Density Functional Theory(DFT), whose theoretical absorption peaks are at 0.84 THz, 1.10 THz and 1.50 THz. The theoretical spectra are in good agreement with the measured spectra. This work provides a theoretical and experimental basis for the rapid identification of drugs by terahertz technology, and has good application prospects in the establishment of terahertz fingerprint spectroscopy and rapid identification of morphine hydrochloride. |
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