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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Identifying quantitative sources and spatial distributions of potentially toxic elements in soils by using three
Yameng Wang1, Lixia Zhang2, Jining Wang2
1College of Geography and Environment, Shandong Normal University, Jinan, 250014, China.
This study identified natural and human sources of potentially toxic elements (PTEs) in soil using receptor models. Natural sources dominate, but human activities significantly impact cadmium, mercury, lead, and zinc levels, especially in hazardous areas.
Area of Science:
- Environmental Science
- Geochemistry
- Soil Science
Background:
- Potentially toxic elements (PTEs) in soil pose risks to ecosystems and human health.
- Identifying the sources and spatial distribution of PTEs is crucial for effective soil management and remediation strategies.
Purpose of the Study:
- To determine the reliable source contributions and spatial distribution of ten PTEs (As, Cd, Co, Cr, Cu, Hg, Mn, Ni, Pb, Zn).
- To delineate hazardous areas for PTEs and assess the influence of parent material versus anthropogenic activities.
Main Methods:
- Employed three receptor models: US-EPA positive matrix factorization (EPAPMF), weighted alternating least squares positive matrix factorization (WALSPMF), and non-negative constrained absolutely principle analysis (NCAPCA).
- Combined receptor models for ensemble-average source contributions.
- Utilized sequential indicator simulation (SIS) and uncertainty analysis for spatial distribution and hazardous area delineation.
Main Results:
- Natural sources accounted for over 85.72% of As, Co, Cr, Cu, Mn, and Ni.
- Cadmium (Cd), Mercury (Hg), Lead (Pb), and Zinc (Zn) showed contributions from both parent material and anthropogenic sources.
- Human inputs (agriculture, industry, vehicle emissions) significantly contributed to Cd (28.04%), Hg (20.74%), Pb (43.49%), and Zn (23.71%).
- Parent materials primarily controlled the spatial distribution of most PTEs.
- Hazardous areas exceeding 1.5 times background values were identified for Cd (27.1%) and Hg (32.1%).
Conclusions:
- Natural sources are the primary contributors to several PTEs, but anthropogenic activities significantly influence Cd, Hg, Pb, and Zn levels.
- Atmospheric deposition from human emissions is a major contributor to Hg concentrations.
- SIS effectively mapped hazardous areas, highlighting the need for targeted remediation efforts, particularly for Cd and Hg.
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