Determination of Lead and Arsenic in Soil Samples by X Fluorescence Spectrum Combined With CARS Variables Screening Method

Xiao-yu JIANG; Fu-sheng LI; Qing-ya WANG; Jie LUO; Jun HAO; Mu-qiang XU

doi:10.3964/j.issn.1000-0593(2022)05-1535-06

Spectroscopy and Spectral Analysis, Volume. 42, Issue 5, 1535(2022)

Determination of Lead and Arsenic in Soil Samples by X Fluorescence Spectrum Combined With CARS Variables Screening Method

Xiao-yu JIANG1,*... Fu-sheng LI2,2; *;, Qing-ya WANG1,1; 2;, Jie LUO3,3;, Jun HAO1,1; 2; and Mu-qiang XU1,1; 2; |Show fewer author(s)

Author Affiliations

¹1. Engineering Research Center of Nuclear Technology Application, Ministry of Education, East China University of Technology, Nanchang 330013, China

²2. State Key Laboratory of Nuclear Resources and Environment, East China University of Technology, Nanchang 330013, China

³3. Yangtze University, Wuhan 430000, China

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Figures & Tables(8)

Fig. 1. Noise and baseline correction results for the spectra of soil samples
(a): Raw spectra of 139 soil samples; (b): Denoising and baseline corrected spectra of 139 soil samples

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Fig. 2. Plots of CARS variable selection for Lead in soil

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Fig. 3. Plots of CARS variable selection for Arsenic in soil

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Fig. 4. Comparison of measured values and predicted values of Lead and Arsenic corrected Set of each model

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Table 1. Descriptive statistics of measured soil Lead and Arsenic content
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Table 1. Descriptive statistics of measured soil Lead and Arsenic content
元素样本集样本数范围/
(mg·kg^-1) 均值/
(mg·kg^-1)
Pb 校正集 97 10.2~2 690.2 400.9
预测集 42 13.4~636.3 359.6
As 校正集 97 1.7~706.9 274.4
预测集 42 4.4~416.7 235.8

Table 2. Sampling frequency and variable number in optimal variables subset of Pb and As when RMSECV value is lowest in soil samples
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Table 2. Sampling frequency and variable number in optimal variables subset of Pb and As when RMSECV value is lowest in soil samples
元素采样次数变量个数
Pb 26 60
As 34 19

Table 3. PLS modeling results of quantitative determination of Lead in soil samples

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Table 3. PLS modeling results of quantitative determination of Lead in soil samples

方法	变量个数	校正集				预测集
方法	变量个数	R²	RMSECV	RMSEP	RPD	R²	RMSECV	RMSEP	RPD
PLS	2 048	0.987 8	3.621 2	5.381 2	8.123 2	0.983 5	3.533 2	5.290 8	8.690 8
CARS-PLS	60	0.997 3	2.610 1	3.322 1	9.351 8	0.995 5	2.598 6	3.228 0	9.401 1
SPA-PLS	27	0.989 8	3.643 9	5.391 8	8.177 4	0.980 5	3.549 5	5.344 5	8.611 4
MC-UVE-PLS	49	0.995 5	3.153 1	3.553 2	8.997 8	0.995 7	3.058 5	3.685 0	9.036 6

Table 4. PLS modeling results of quantitative determination of Arsenic in soil samples

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Table 4. PLS modeling results of quantitative determination of Arsenic in soil samples

方法	变量个数	校正集				预测集
方法	变量个数	R²	RMSECV	RMSEP	RPD	R²	RMSECV	RMSEP	RPD
PLS	2 048	0.975 9	4.623 7	4.784 9	7.623 9	0.975 1	4.520 3	4.564 3	7.520 1
CARS-PLS	19	0.990 6	2.923 7	2.933 1	8.156 6	0.989 9	3.013 2	2.737 1	8.211 6
SPA-PLS	9	0.984 3	4.317 1	4.358 4	7.643 3	0.988 1	4.334 5	4.288 5	7.593 0
MC-UVE-PLS	30	0.985 0	3.329 2	3.613 5	7.678 6	0.989 5	3.310 2	3.419 0	7.896 5

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Xiao-yu JIANG, Fu-sheng LI, Qing-ya WANG, Jie LUO, Jun HAO, Mu-qiang XU. Determination of Lead and Arsenic in Soil Samples by X Fluorescence Spectrum Combined With CARS Variables Screening Method[J]. Spectroscopy and Spectral Analysis, 2022, 42(5): 1535

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Paper Information

Category: Research Articles

Received: Mar. 17, 2021

Accepted: --

Published Online: Nov. 10, 2022

The Author Email: JIANG Xiao-yu (jjxxyy1988@126.com)

DOI:10.3964/j.issn.1000-0593(2022)05-1535-06

Topics

laser devices and laser physics

Lasers and Laser Optics

Laser physics

laser manufacturing

Instrumentation, Measurement and Metrology

Table 1. Descriptive statistics of measured soil Lead and Arsenic content

Table 1. Descriptive statistics of measured soil Lead and Arsenic content

Table 2. Sampling frequency and variable number in optimal variables subset of Pb and As when RMSECV value is lowest in soil samples

Table 2. Sampling frequency and variable number in optimal variables subset of Pb and As when RMSECV value is lowest in soil samples

Table 3. PLS modeling results of quantitative determination of Lead in soil samples

Table 3. PLS modeling results of quantitative determination of Lead in soil samples

Table 4. PLS modeling results of quantitative determination of Arsenic in soil samples

Table 4. PLS modeling results of quantitative determination of Arsenic in soil samples

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