反褶积
分辨率(逻辑)
太赫兹辐射
谱线
光谱分辨率
光谱学
吸收(声学)
衍生工具(金融)
太赫兹光谱与技术
生物系统
分析化学(期刊)
计算物理学
材料科学
化学
光学
计算机科学
物理
色谱法
人工智能
金融经济学
天文
生物
量子力学
经济
作者
Yehao Ma,Pingjie Huang,Dibo Hou,Jinhui Cai,Qiang Wang,Guangxin Zhang
标识
DOI:10.1016/j.chemolab.2015.10.017
摘要
Abstract This study aims at resolving the spectral profiles of pure components from the mixture THz data. A method based on simple-to-use interactive self-modeling mixture analysis (SIMPLISMA), one of self-modeling curve resolution (SMCR) techniques, was put forward to deal with two-way THz spectral data of unknown mixtures for spectral resolution of single species. SMCR requires pure variables which have intensity contributions from only one component for extracting the content information. However, for the spectra of many materials in THz region (about 0.1–3 THz), pure variables are usually unavailable for the overlap of absorption peaks or the presence of baseline. To settle this problem, inverted second derivative was employed as an intermediate step to optimize the determination of pure variable. To test the effect, the proposed method was performed on simulated and experimental THz spectra of multicomponent systems. It is demonstrated that SIMPLISMA combined with inverted second derivative spectra is a promising tool to deconvolve multicomponent systems contributing to the identification of ingredients in unknown mixture in THz region.
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