化妆品中皮质类固醇激素黄体酮的太赫兹时域光谱检测方法  

Detection Method of Corticosteroids Progesterone in Cosmetics by Terahertz Time-Domain Spectroscopy

作　　者：肖征 王雷 应英 周晓明 陈华 应黎鸿 XIAO Zheng;WANG Lei;YING Ying;ZHOU Xiaoming;CHEN Hua;YING Lihong(Hangzhou Special Service Recuperation Center of Air Force,Hangzhou 310002,Zhejiang,China)

机构地区：[1]空军杭州特勤疗养中心疗养三区,浙江杭州310002

出　　处：《香料香精化妆品》2022年第3期78-80,93,共4页Flavour Fragrance Cosmetics

基　　金：原国家质检总局科技计划项目(编号2013QK030);原南京军区医药卫生科研基金资助项目(编号12MA115)。

摘　　要：设计了太赫兹时域光谱(terahertz time-domain spectroscopy,THz-TDS)快速检测系统,用于研究皮质类固醇类激素黄体酮在太赫兹波段的光学特性。在室温下获得样品在0.2~2.0 THz波段内的吸收光谱,然后采用密度泛函理论(density functional theory,DFT)对样品物质的结构和振动频率进行模拟,对分子的太赫兹特征吸收峰进行分析指认。结果表明黄体酮在此波段内存在多个特征吸收峰,试验结果与理论计算结果吻合较好,可以根据吸收峰的强度估计黄体酮的含量。黄体酮在太赫兹波段的指纹谱验证了THz-TDS技术用于皮质类固醇激素检测的可行性,为化妆品非法添加皮质类固醇激素的检测提供了新方法。A fast detection system based on terahertz time-domain spectroscopy(THz-TDS) was designed to study the optical properties of progesterone, which is a kind of corticosteroid in the THz band. The absorption spectra of the sample in 0.2-2.0THz band were obtained at room temperature. Then the density functional theory(DFT) was used to simulate the structure and vibration frequency of the sample, and the THz characteristic absorption peaks were analyzed and identified. In addition, the content of progesterone can be estimated according to the intensity of the absorption peak. The results showed that there were many characteristic absorption peaks of progesterone in this band, and the experimental results were in accordance with the theoretical calculation results. The fingerprint spectrum of progesterone in THz band verified the feasibility of THz-TDS in the detection of corticosteroids, and provided a new method for the detection of illegally added corticosteroids in cosmetics.

关 键 词：太赫兹 时域光谱 皮质类固醇 黄体酮 

分 类 号：TQ658[化学工程—精细化工] O657.3[理学—分析化学]