Multivariate analysis applied to X-ray fluorescence to assess soil contamination pathways: case studies of mass magnetic susceptibility in soils near abandoned coal and W/Sn mines.


Journal

Environmental geochemistry and health
ISSN: 1573-2983
Titre abrégé: Environ Geochem Health
Pays: Netherlands
ID NLM: 8903118

Informations de publication

Date de publication:
02 May 2024
Historique:
received: 02 01 2024
accepted: 06 04 2024
medline: 2 5 2024
pubmed: 2 5 2024
entrez: 2 5 2024
Statut: epublish

Résumé

Determining the origin and pathways of contaminants in the natural environment is key to informing any mitigation process. The mass magnetic susceptibility of soils allows a rapid method to measure the concentration of magnetic minerals, derived from anthropogenic activities such as mining or industrial processes, i.e., smelting metals (technogenic origin), or from the local bedrock (of geogenic origin). This is especially effective when combined with rapid geochemical analyses of soils. The use of multivariate analysis (MVA) elucidates complex multiple-component relationships between soil geochemistry and magnetic susceptibility. In the case of soil mining sites, X-ray fluorescence (XRF) spectroscopic data of soils contaminated by mine waste shows statistically significant relationships between magnetic susceptibility and some base metal species (e.g., Fe, Pb, Zn, etc.). Here, we show how qualitative and quantitative MVA methodologies can be used to assess soil contamination pathways using mass magnetic susceptibility and XRF spectra of soils near abandoned coal and W/Sn mines (NW Portugal). Principal component analysis (PCA) showed how the first two primary components (PC-1 + PC-2) explained 94% of the sample variability, grouped them according to their geochemistry and magnetic susceptibility in to geogenic and technogenic groups. Regression analyses showed a strong positive correlation (R

Identifiants

pubmed: 38696051
doi: 10.1007/s10653-024-01988-3
pii: 10.1007/s10653-024-01988-3
doi:

Substances chimiques

Soil Pollutants 0
Soil 0
Tin 7440-31-5
Coal 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

202

Informations de copyright

© 2024. The Author(s).

Références

Agyeman, P. C., Ahado, S. K., Kingsley, J., Kebonye, N. M., Biney, J. K. M., Boruvka, L., Vasat, R., & Kocarek, M. (2021). Source apportionment, contamination levels, and spatial prediction of potentially toxic elements in selected soils of the Czech Republic. Environmental Geochemistry and Health, 43, 601–620. https://doi.org/10.1007/s10653-020-00743-8
doi: 10.1007/s10653-020-00743-8
Attoucheik, L., Jordanova, N., Bayou, B., Lagroix, F., Jordanova, D., Maouche, S., Henry, B., & Boutaleb, A. (2017). Soil metal pollution form former Zn–Pb mining assessed by geochemical and magnetic investigations: Case study of the Bou Caid area (Tissemsilt, Algeria). Environmental Earth Sciences, 76, 298. https://doi.org/10.1007/s12665-017-6622-9
doi: 10.1007/s12665-017-6622-9
Biney, J. K. M., Vašát, R., Blöcher, J. R., Borůvka, L., & Němeček, K. (2022). Using an ensemble model coupled with portable X-ray fluorescence and visible near-infrared spectroscopy to explore the viability of mapping and estimating arsenic in agricultural soil. Science of the Total Environment, 818, 151805. https://doi.org/10.1016/j.scitotenv.2021.151805
doi: 10.1016/j.scitotenv.2021.151805
Blanco, M., Coello, J., Montoliu, I., & Romero, M. A. (2001). Orthogonal signal correction in near infrared calibration. Analytica Chimica Acta, 434, 125–132. https://doi.org/10.1016/S0003-2670(01)00820-0
doi: 10.1016/S0003-2670(01)00820-0
Bosco, G. L. (2013). Development and application of portable, hand-held x-ray fluorescence spectrometers. Trends in Analytical Chemistry, 45, 121–134. https://doi.org/10.1016/j.trac.2013.01.006
doi: 10.1016/j.trac.2013.01.006
Bourliva, A., Papdopoulou, L., Aidona, E., & Goiuri, K. (2017). Magnetic signature, geochemistry, and oral bioaccessibility of “technogenic” metals in contaminated industrial soils from Sindos Industrial Area, Northern Greece. Environmental Science and Pollution Research, 24, 17041–17055. https://doi.org/10.1007/s11356-017-9355-0
doi: 10.1007/s11356-017-9355-0
Brereton, R. G. (1990). Chemometrics: Applications of mathematics and statistics to laboratory systems. Ellis Horwood.
Chakraborty, P., Wood, D. A., Singh, S., & Hazra, B. (2023). Trace element contamination in soils surrounding the open-cast coal mines of eastern Raniganj basin, India. Environmental Geochemistry and Health, 45, 7275–7302. https://doi.org/10.1007/s10653-023-01556-1
doi: 10.1007/s10653-023-01556-1
Correia, P., Šimůnek, Z., Sá, A. A., & Flores, D. A. (2018). A new late Pennsylvanian floral assemblage from the Douro basin, Portugal. Geological Journal, 53, 2507–2531. https://doi.org/10.1002/gj.3086
doi: 10.1002/gj.3086
Dekkers, M. J. (1997). Environmental magnetism: An introduction. Netherlands Journal of Geosciences, 76, 163–182. https://doi.org/10.1023/A:1003122305503
doi: 10.1023/A:1003122305503
Dellbecque, N., Ranst, E. V., Dondeyne, S., Mouazen, A. M., Vermeir, P., & Verdoodt, A. (2022). Geochemical fingerprinting and magnetic susceptibility to unravel the heterogeneous composition of urban soils. Science of the Total Environment, 847, 157502. https://doi.org/10.1016/j.scitotenv.2022.157502
doi: 10.1016/j.scitotenv.2022.157502
dos Santos, F. R., de Oliveira, J. F., Bona, E., dos Santos, J. V. F., Barboza, G. M. C., & Melquiades, F. L. (2020). EDXRF spectral data combined with PLSR to determine some soil fertility indicators. Microchemical Journal, 152, 104275. https://doi.org/10.1016/j.microc.2019.104275
doi: 10.1016/j.microc.2019.104275
Engelen, S., Hubert, M., Vanden Branden, K., & Verboven, S. (2004). Robust PCR and robust PLSR: A comparative study. In M. Hubert, G. Pison, A. Struyf, & S. van Aelst (Eds.), Theory and applications of recent robust methods. Statistics for industry and technology (pp. 105–117). Brikhäuser.
doi: 10.1007/978-3-0348-7958-3_10
Evans, M. E., & Heller, F. (2003). Environmental Magnetism: Principles and applications of enviromagnetics. Elsevier Science.
Figueiredo, J., Vila, M. C., Góis, J., Biju, B. P., Futuro, A., Martins, D., Dinis, M. L., & Fiúza, A. (2019). Bi-level depth assessment of an abandoned tailings dam aiming its reprocessing for recovery of valuable metals. Minerals Engineering, 133, 1–9. https://doi.org/10.1016/j.mineng.2018.12.016
doi: 10.1016/j.mineng.2018.12.016
Flanders, P. J. (1994). Collection, measurement, and analysis of airborne magnetic particulates from pollution in the environment (invited). Journal of Applied Physics, 75, 5931–5936. https://doi.org/10.1063/1.355518
doi: 10.1063/1.355518
Golia, E. E., & Diakoloukas, V. (2022). Soil parameters affecting the levels of potentially harmful metals in Thessaly area, Greece: A robust quadratic regression approach of soil pollution prediction. Environmental Science and Pollution Research, 29, 29544–29561. https://doi.org/10.1007/s11356-021-14673-0
doi: 10.1007/s11356-021-14673-0
Guyodo, Y., Mostrom, A., Penn, R. L., & Banerjee, S. K. (2003). From nanodots to nanorods: Oriented aggregation and magnetic evolution of nanocrystalline goethite. Geophysical Research Letters, 30, 1512. https://doi.org/10.1029/2003GL017021
doi: 10.1029/2003GL017021
ISO 11760. (2005). Classification of Coals (1st ed). International Organization for Standardization (p. 9). Geneva
Jang, M. (2010). Application of portable X-ray fluorescence (pXRF) for heavy metal anlysis of soils in crop fields near abandoned mine sites. Environmental Geochemistry and Health, 32, 207–216. https://doi.org/10.1007/s10653-009-9276-z
doi: 10.1007/s10653-009-9276-z
Kardanpour, Z., Jacobsen, O. S., & Esbensen, K. H. (2014). Soil heterogeneity characterization using PCA (X
doi: 10.1016/j.chemolab.2014.04.020
Lemos de Sousa, M. J., & Wagner, R. H. (1983). General description of the terrestrial carboniferous basins in Portugal and history of investigations. In M. J. Lemos de Sousa & J. T. Oliveira (Eds.), The carboniferous of Portugal: Memórias dos serviços geológicos de Portugal (pp. 117–126). Lisbon.
Lu, S. G., Wang, H. Y., & Chen, Y. Y. (2012). Enrichment and solubility of trace metals associated with magnetic extracts in industrially derived contaminated soils. Environmental Geochemistry and Health, 34, 433–444. https://doi.org/10.1007/s10653-011-9447-6
doi: 10.1007/s10653-011-9447-6
Ma, X., Xia, D., Chen, P., Yu, Q., & Liu, X. (2023). Heavy metals dsitribution, magnetic properties, source apportionment, and potential risks in urban street dust of northwest China. Water, Air, & Soil Pollution, 234, 133. https://doi.org/10.1007/s11270-023-06132-y
doi: 10.1007/s11270-023-06132-y
Magiera, T., Górka-Kostrubiec, B., Szumiata, T., & Bućko, M. S. (2023). Technogenic magnetic particles in topsoil: Characteristic features for different emission sources. Science of the Total Environment, 865, 161186. https://doi.org/10.1016/j.scitotenv.2022.161186
doi: 10.1016/j.scitotenv.2022.161186
Magiera, T., Strzyszcz, Z., Kapicka, A., & Petrovsky, E. (2006). Discrimination of lithogenic and anthropogenic influences on topsoil magnetic susceptibility in Central Europe. Geoderma, 130, 299–311. https://doi.org/10.1016/j.geoderma.2005.02.002
doi: 10.1016/j.geoderma.2005.02.002
Malmir, M., Tahmasbian, I., Xu, Z., Farrar, M. B., & Bai, S. H. (2019). Prediction of soil macro- and micro-elements in sieved and ground air-dried soils using laboratory-based hyperspectral imaging technique. Geoderma, 340, 70–80. https://doi.org/10.1016/j.geoderma.2018.12.049
doi: 10.1016/j.geoderma.2018.12.049
Martens, H., & Naes, T. (1998). Multivariate calibration. Wiley.
Martins, J. P. A., Teófilo, R. F., & Ferreira, M. M. C. (2010). Computational performance and cross-validation error precision of five PLS algorithms using designed and real data sets. Journal of Chemometrics, 24, 320–332. https://doi.org/10.1002/cem.1309
doi: 10.1002/cem.1309
Mello, D. C., Demattê, J. A. M., Silvero, N. E. Q., Raimo, L. A. D. L., Poppiel, R. R., Mello, F. A. O., Souza, A. B., Safanelli, J. L., Resende, M. E. B., & Rizzo, R. (2020). Soil magnetic susceptibility and its relationship with naturally occurring processes and soil attributes in pedosphere, in a tropical environment. Geoderma, 372, 114364. https://doi.org/10.1016/j.geoderma.2020.114364
doi: 10.1016/j.geoderma.2020.114364
Milinovic, J., Vale, C., & Azenha, M. (2023). Recent advances in multivariate analysis coupled with chemical analysis for soil surveys. Journal of Soils and Sediments, 23, 1085–1098. https://doi.org/10.1007/s11368-022-03377-8
doi: 10.1007/s11368-022-03377-8
Morona, F., dos Santos, F. R., Brinatti, A. M., & Melquiades, F. L. (2017). Quick analysis of organic matter in soil by energy-dispersive X-ray fluorescence and multivariate analysis. Applied Radiation and Isotopes, 130, 13–20. https://doi.org/10.1016/j.apradiso.2017.09.008
doi: 10.1016/j.apradiso.2017.09.008
Morrissey, M. B., & Ruxton, G. D. (2018). Multiple regression is not multiple regressions: The meaning of multiple regression and the non-problem of collinearity. Philosophy, Theory, and Practice in Biology, 10, 3. https://doi.org/10.3998/ptpbio.16039257.0010.003
doi: 10.3998/ptpbio.16039257.0010.003
Mullins, C. E. (2006). Magnetic susceptibility of the soil and its significance in soil science—A review. European Journal of Soil Science, 28, 223–246. https://doi.org/10.1111/j.1365-2389.1977.tb02232.x
doi: 10.1111/j.1365-2389.1977.tb02232.x
Nahan, G., Bijaksana, S., Suryanata, P. B., & Ibrahim, K. (2023). Geochemical and magnetic characteristics of placer gold deposits from Central Kalimantan, Indonesia. The Mining-Geological-Petroleum Engineering Bulletin, 38, 99–107. https://doi.org/10.17794/rgn.2023.2.7
doi: 10.17794/rgn.2023.2.7
Nengsih, T. A., Bertrand, F., Maumy-Bertrand, M., & Meyer, N. (2019). Determining the number of components in PLSR regression on incomplete data set. Statistical Applications in Genetics and Molecular Biology. https://doi.org/10.1515/sagmb-2018-0059
doi: 10.1515/sagmb-2018-0059
Ng, W., Minasny, B., Jones, E., & McBratney, A. (2022). To spike or to localize? Strategies to improve the prediction of local soil properties using regional spectral library. Geoderma, 406, 115501. https://doi.org/10.1016/j.geoderma.2021.115501
doi: 10.1016/j.geoderma.2021.115501
Pan, H., Lu, X., Lei, K., Shi, D., Ren, C., Yang, L., & Wang, L. (2019). Using magnetic susceptibility to evaluate pollution status of the sediment for a typical reservoir in northwestern China. Environmental Science and Pollution Research, 26, 3019–3032. https://doi.org/10.1007/s11356-018-3844-7
doi: 10.1007/s11356-018-3844-7
Panchuk, V., Yaroshenko, I., Legin, A., Semenov, V., & Kirsanov, D. (2018). Application of chemometric methods to XRF-data—A tutorial review. Analytica Chimica Acta, 1040, 19–32. https://doi.org/10.1016/j.aca.2018.05.023
doi: 10.1016/j.aca.2018.05.023
Pereira, E., Rodrigues, J., Gonçalves, L. S. M., Moreira, A., Silva, A. F. (2007). Carta Geológica de Portugal Na escala 1:50.000 & Notícia Explicativa da Folha 13D (Oliveira de Azeméis); Instituto Nacional de Engenharia, Tecnologia e Inovação, (p. 55). Lisboa, Portugal
Pinto de Jesus, A. (2019). Carboniferous intermontane basins of Portugal. In J. Oliveira & C. Quesada (Eds.), The geology of Iberia: A geodynamic approach (Vol. 2, pp. 402–408). Springer Nature.
Ribeiro, J., da Silva, E. F., de Jesus, A. P., & Flores, D. (2011). Petrographic and geochemical characterization of coal waste piles from Douro Coalfield (NW Portugal). International Journal of Geology, 87, 226–236. https://doi.org/10.1016/j.coal.2011.06.014
doi: 10.1016/j.coal.2011.06.014
Ribeiro, J., Sant’Ovaia, H., Gomes, C., Ward, C., & Flores, D. (2014). Mineralogy and magnetic parameters of materials resulting from the mining and consumption of coal from the douro coalfield, Northwest Portugal. Coal and peat fires: A global perspective (Vol. 3, pp. 494–508). Elsevier Inc.
Rocha, D. R., Melquiades, F. L., & Thomaz, E. L. (2019). Modeling the soil burnt effect for temperature prediction by energy dispersive X ray fluorescence in an haplic cambisol soil. Applied Radiation and Isotopes, 150, 26–30. https://doi.org/10.1016/j.apradiso.2019.05.012
doi: 10.1016/j.apradiso.2019.05.012
Santos, P., Marques, J. E., Ribeiro, J., Mansilha, C., Melo, A., & FonsecaSant’OvaiaFlores, R. H. D. (2023). Geochemistry of soils from the surrounding area of a coal mine waste pile affected by self-burning (Northern Portugal). Minerals, 13, 28. https://doi.org/10.3390/min13010028
doi: 10.3390/min13010028
SanťOvaia, H., Cruz, C., Guedes, A., Ribeiro, H., Santos, P., Pereira, S., Marques, J. E., Ribeiro, M. A., Mansilha, C., Martins, H. C. B., Valentim, B., Torres, J., Abreu, I., Noronha, F., & Flores, D. (2023). Contamination fingerprints in an inactive W (Sn) mine: The Regoufe mine study case (Northern Portugal). Minerals, 13, 497. https://doi.org/10.3390/min13040497
doi: 10.3390/min13040497
Shaheen, A., & Iqbal, J. (2018). Spatial distribution and mobility assessment of carcinogenic heavy metals in soil profiles using geostatistics and random forest, Boruta Algorithm. Sustainability, 10, 799. https://doi.org/10.3390/su10030799
doi: 10.3390/su10030799
Szuszkiewicz, M., Petrovský, E., Lukasik, A., Gruba, P., Grison, H., & Szuszkiewicz, M. M. (2021). Technogenic contamination or geogenic enrichment in Regosols and Leptosols? Magnetic and geochemical imprints on topsoil horizons. Geoderma, 381, 114685. https://doi.org/10.1016/j.geoderma.2020.114685
doi: 10.1016/j.geoderma.2020.114685
Turekian, K. K., & Wedepohl, K. H. (1961). Distribution of the elements in some major units of the Earth’s Crust. Geology Society of America Bulletin, 72, 175–192. https://doi.org/10.1130/0016-7606(1961)72[175:DOTEIS]2.0.CO;2
doi: 10.1130/0016-7606(1961)72[175:DOTEIS]2.0.CO;2
Van Gaans, P. F. M., Vriend, S. P., & Poorter, R. P. E. (1995). Hydrothermal processes and shifting element association patterns in the W–Sn enriched granite of Regoufe, Portugal. Journal of Geochemical Exploration, 55, 203–222. https://doi.org/10.1016/0375-6742(95)00015-1
doi: 10.1016/0375-6742(95)00015-1
Wang, G., Liu, Y., Chen, J., Ren, F., Chen, Y., Ye, F., & Zhang, W. (2018). Magnetic evidence for heavy metal pollution of topsoil on Shanghai, China. Frontiers in Earth Science, 12, 125–133. https://doi.org/10.1007/s11707-017-0624-5
doi: 10.1007/s11707-017-0624-5
Wu, Y., Noda, I., Meersman, F., & Ozaki, Y. (2006). Orthogonal signal corrected two-dimensional (OSC 2D) correlation infrared spectroscopy. Journal of Molecular Structure, 799, 121–127. https://doi.org/10.1016/j.molstruc.2006.03.030
doi: 10.1016/j.molstruc.2006.03.030
Zhang, W., Zhang, Y., Chen, D., Zhang, R., Yu, X., Gao, Y., Wang, C., Liu, J., Zhao, N., & Liu, W. (2013). Quantitative analysis of overlapping x-ray fluorescence spectra for Ni, Cu, Zn in soil by orthogonal signal correction and partial least squares algorithm. Advanced Materials Research, 705, 70–74. https://doi.org/10.4028/www.scientific.net/AMR.705.70
doi: 10.4028/www.scientific.net/AMR.705.70

Auteurs

Jelena Milinovic (J)

Chemistry and Biochemistry Department, Faculty of Sciences, CIQ‑UP, Institute of Molecular Sciences (IMS), University of Porto, Rua do Campo Alegre s/n, 4169‑007, Porto, Portugal. jelena.milinovic@fc.up.pt.

Patrícia Santos (P)

Institute of Earth Sciences, Pole of University of Porto, 4169-007, Porto, Portugal.
Department of Geosciences, Environment and Spatial Planning FCUP, University of Porto, 4169-007, Porto, Portugal.

Helena Sant'Ovaia (H)

Institute of Earth Sciences, Pole of University of Porto, 4169-007, Porto, Portugal.
Department of Geosciences, Environment and Spatial Planning FCUP, University of Porto, 4169-007, Porto, Portugal.

Aurora Futuro (A)

CERENA, Faculdade de Engenharia da Universidade do Porto, Rua Dr Roberto Frias s/n, 4200-465, Porto, Portugal.

Carlos M Pereira (CM)

Chemistry and Biochemistry Department, Faculty of Sciences, CIQ‑UP, Institute of Molecular Sciences (IMS), University of Porto, Rua do Campo Alegre s/n, 4169‑007, Porto, Portugal.

Bramley J Murton (BJ)

NOC, National Oceanography Centre, European Way, Southampton, SO14 3ZH, UK.

Deolinda Flores (D)

Institute of Earth Sciences, Pole of University of Porto, 4169-007, Porto, Portugal.
Department of Geosciences, Environment and Spatial Planning FCUP, University of Porto, 4169-007, Porto, Portugal.

Manuel Azenha (M)

Chemistry and Biochemistry Department, Faculty of Sciences, CIQ‑UP, Institute of Molecular Sciences (IMS), University of Porto, Rua do Campo Alegre s/n, 4169‑007, Porto, Portugal.

Articles similaires

Populus Soil Microbiology Soil Microbiota Fungi
Coal Metagenome Phylogeny Bacteria Genome, Bacterial
India Carbon Sequestration Environmental Monitoring Carbon Biomass
Rivers Turkey Biodiversity Environmental Monitoring Animals

Classifications MeSH