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Identification and quantitative analysis of chemical compounds based on multiscale linear fitting of terahertz spectra

机译：基于太赫兹光谱多尺度线性拟合的化合物鉴定与定量分析

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摘要

Terahertz (THz) time-domain spectroscopy is considered as an attractive tool for the analysis of chemical composition. The traditional methods for identification and quantitative analysis of chemical compounds by THz spectroscopy are all based on full-spectrum data. However, intrinsic features of the THz spectrum only lie in absorption peaks due to existence of disturbances, such as unexpected components, scattering effects, and barrier materials. We propose a strategy that utilizes Lorentzian parameters of THz absorption peaks, extracted by a multiscale linear fitting method, for both identification of pure chemicals and quantitative analysis of mixtures. The multiscale linear fitting method can automatically remove background content and accurately determine Lorentzian parameters of the absorption peaks. The high recognition rate for 16 pure chemical compounds and the accurate predicted concentrations for theophylline-lactose mixtures demonstrate the practicability of our approach.
机译：太赫兹（THz）时域光谱法被认为是用于化学成分分析的有吸引力的工具。传统的通过太赫兹光​​谱法鉴定和定量分析化合物的方法都是基于全光谱数据。但是，由于存在干扰，例如意外成分，散射效应和势垒材料，THz光谱的固有特征仅位于吸收峰中。我们提出了一种策略，该策略利用通过多尺度线性拟合方法提取的太赫兹吸收峰的洛伦兹参数进行识别纯化学品和混合物的定量分析。多尺度线性拟合方法可以自动去除背景含量，并准确确定吸收峰的洛伦兹参数。对16种纯化合物的高识别率和茶碱-乳糖混合物的准确预测浓度证明了我们方法的实用性。

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  • 来源
    《Optical engineering》 |2014年第7期|074102.1-074102.9|共9页
  • 作者

    Lingbo Qiao; Yingxin Wang; Ziran Zhao; Zhiqiang Chen;

  • 作者单位

    Tsinghua University, Department of Engineering Physics, Beijing 100084, China,Key Laboratory of Particle and Radiation Imaging, Tsinghua University, Ministry of Education, Beijing 100084, China;

    Tsinghua University, Department of Engineering Physics, Beijing 100084, China,Key Laboratory of Particle and Radiation Imaging, Tsinghua University, Ministry of Education, Beijing 100084, China;

    Tsinghua University, Department of Engineering Physics, Beijing 100084, China,Key Laboratory of Particle and Radiation Imaging, Tsinghua University, Ministry of Education, Beijing 100084, China;

    Tsinghua University, Department of Engineering Physics, Beijing 100084, China,Key Laboratory of Particle and Radiation Imaging, Tsinghua University, Ministry of Education, Beijing 100084, China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    terahertz spectroscopy; identification; quantitative analysis; multiscale linear fitting;

    机译：太赫兹光谱;鉴定定量分析;多尺度线性拟合;

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