太赫兹光谱结合二维相关-偏最小二乘回归模型定量测定金胺 O。

Quantitative determination of Auramine O by terahertz spectroscopy with 2DCOS-PLSR model.

机构信息

School of Mechano-Electronic Engineering, Xidian University, Xi'an 710071, China.

School of Mechano-Electronic Engineering, Xidian University, Xi'an 710071, China; Guilin University of Aerospace Technology, Guilin 541004, China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2017 Sep 5;184:335-341. doi: 10.1016/j.saa.2017.05.017. Epub 2017 May 10.

DOI:10.1016/j.saa.2017.05.017

PMID:28528254

Abstract

Residues of harmful dyes such as Auramine O (AO) in herb and food products threaten the health of people. So, fast and sensitive detection techniques of the residues are needed. As a powerful tool for substance detection, terahertz (THz) spectroscopy was used for the quantitative determination of AO by combining with an improved partial least-squares regression (PLSR) model in this paper. Absorbance of herbal samples with different concentrations was obtained by THz-TDS in the band between 0.2THz and 1.6THz. We applied two-dimensional correlation spectroscopy (2DCOS) to improve the PLSR model. This method highlighted the spectral differences of different concentrations, provided a clear criterion of the input interval selection, and improved the accuracy of detection result. The experimental result indicated that the combination of the THz spectroscopy and 2DCOS-PLSR is an excellent quantitative analysis method.

摘要

有害染料如吖啶黄（AO）在草药和食品中的残留威胁着人们的健康。因此，需要快速灵敏的残留检测技术。太赫兹（THz）光谱作为一种强大的物质检测工具，本文通过结合改进的偏最小二乘回归（PLSR）模型，用于 AO 的定量测定。在 0.2THz 至 1.6THz 的波段内，通过太赫兹时域光谱（THz-TDS）获得了不同浓度草药样品的吸光度。我们应用二维相关光谱（2DCOS）来改进 PLSR 模型。该方法突出了不同浓度之间的光谱差异，提供了输入区间选择的明确标准，并提高了检测结果的准确性。实验结果表明，太赫兹光谱与 2DCOS-PLSR 的结合是一种优秀的定量分析方法。