Study on Rapid Quantitative Detection of Soil MPs Based on Terahertz Time-Domain Spectroscopy.

IF 6.7 1区 化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2025-01-31 DOI:10.1021/acs.analchem.4c05736
Lijia Xu, Yanqi Feng, Ao Feng, Yuping Yang, Yanjun Chen, Bo Liu, Ning Yang, Wei Ma, Yong He, Zhijun Wu, Yuchao Wang, Yongpeng Zhao
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引用次数: 0

Abstract

The presence of microplastics (MPs) in agricultural soils substantially affects the growth, reproduction, feeding, survival, and immunity levels of soil biota. Therefore, it is crucial to investigate fast, effective, and accurate techniques for the detection of soil MPs. This work explores the integration of terahertz time-domain spectroscopy (THz-TDS) techniques with machine learning algorithms to develop a method for the classification and detection of MPs. First, THz spectral image data were preprocessed using moving average (MA). Subsequently, three classification models were developed, including random forest (RF), linear discriminant analysis, and support vector machine (SVM). Notably, the SVM model had an F1 score of 0.9817, demonstrating its ability to rapidly classify MPs in soil samples. Three regression models, namely, principal component regression (PCR), RF, and least squares support vector machine (LSSVM), were developed for the detection of three MPs polymers in agricultural soils. Six feature extraction methods were used to extract the relevant parts of the data containing key information. The results of the study showed that the regression accuracies of PCR, RF, and LSSVM were greater than 83%. Among them, the RF had the highest overall regression accuracy. Notably, PE-UVE-RF had the best performance with Rc2, Rp2, root mean square error of calibration, and root mean square error of prediction values of 0.9974, 0.9916, 0.1595, and 0.2680, respectively. Furthermore, this model gets a better performance by hypothesis testing and predicting real samples.

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来源期刊
Analytical Chemistry
Analytical Chemistry 化学-分析化学
CiteScore
12.10
自引率
12.20%
发文量
1949
审稿时长
1.4 months
期刊介绍: Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.
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