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

Journals >Spectroscopy and Spectral Analysis >Volume 42 >Issue 5 >Page 1535 > Article

Spectroscopy and Spectral Analysis
Vol. 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 JIANG^1、*, Fu-sheng LI^{2、2; *;}, Qing-ya WANG^{1、1; 2;}, Jie LUO^3、3;, Jun HAO^{1、1; 2;}, and Mu-qiang XU^{1、1; 2;}

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

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 Copy Citation Text

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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

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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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
Pb	预测集	42	13.4~636.3	359.6
As	校正集	97	1.7~706.9	274.4
As	预测集	42	4.4~416.7	235.8

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

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元素	采样次数	变量个数
Pb	26	60
As	34	19

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

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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

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

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