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Emerging Contaminants and Their Transformation Products in the Environment: Advanced Analytical Methods for Assessing Ecological and Human Health Impacts

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: 30 May 2026 | Viewed by 2589

Special Issue Editor

Dr. Maria Feo

E-Mail Website
Guest Editor
Institute for Atmospheric Pollution Research, Italian National Research Council (CNR-IIA), c/o Area della Ricerca di Roma1, Strada Provinciale 35d n. 9, Montelibretti, 00010 Rome, Italy
Interests: environmental chemistry; emerging contaminants; transformation products; analytical methods; human and ecosystem health; water, air and sediment monitoring; contaminant fate and risk assessment

Special Issue Information

Dear Colleagues,

The presence of emerging contaminants in the environment poses an increasing challenge to both ecosystem integrity and human health. This Special Issue focuses on the detection, quantification, and fate of emerging contaminants and their transformation products across multiple environmental matrices, including air, water, soil, sediments, and biota. Advanced analytical approaches, such as high-resolution mass spectrometry, chromatography, and innovative sample preparation techniques, are crucial for identifying not only parent compounds but also degradation or biotransformation products, whose ecological and toxicological impacts are often underestimated. Submissions are encouraged to investigate the occurrence, sources, pathways, and interactions of contaminants and their transformation products, as well as studies linking chemical data to ecological risks and human health implications. Contributions that demonstrate methodological innovation alongside environmental relevance, including reviews, original research, and case studies, are particularly welcome. By combining analytical advancements with assessments of environmental and health consequences, this Special Issue aims to provide a comprehensive overview of current knowledge, highlight research gaps, and promote strategies for effective monitoring and risk assessment of emerging contaminants. Ultimately, it seeks to advance understanding of the complex interactions between chemical contaminants and the ecosystems and human populations they affect, fostering informed solutions for environmental protection and public health.

Dr. Maria Feo
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • emerging contaminants
  • transformation products
  • analytical methods
  • ecological impact
  • human health risk
  • contaminant fate
  • environmental monitoring

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Published Papers (4 papers)

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Research

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18 pages, 5429 KB  
Article
The pH-Driven Distribution and Migration of Phosphate, Fluoride and Metals/Metalloids in Phosphogypsum Stacks: Insights from Southwest China
by Yongliang Sun, Mei Zhang, Dapeng Luo, Quan Long, Weiguang Guo, Jiang Hou, Le Chang, Yuqi Han, Xiaoxi Peng, Yiqian Tao, Hongjin Tong and Hongbin Wang
Molecules 2026, 31(6), 1052; https://doi.org/10.3390/molecules31061052 - 22 Mar 2026
Viewed by 431
Abstract
The long-term accumulation of phosphogypsum (PG) stacks has caused combined pollution of total phosphorus (TP), fluoride (F−), metals and metalloids (MMs), posing a severe threat to regional ecological security. To clarify the migration characteristics of pollutants in PG stacks, water leaching [...] Read more.
The long-term accumulation of phosphogypsum (PG) stacks has caused combined pollution of total phosphorus (TP), fluoride (F−), metals and metalloids (MMs), posing a severe threat to regional ecological security. To clarify the migration characteristics of pollutants in PG stacks, water leaching experiments and environmental risk assessment were conducted in 21 typical PG stacks in Southwest China. The spatial differentiation and vertical migration characteristics of pollutants under various coverage measures (high-density polyethylene (HDPE) film covering, soil covering, a composite of film–soil covering, and open-air storage) at different pH conditions were systematically analyzed. Results indicated that under open-air stockpiling conditions, the surface accumulation of TP and F− was the most significant among all covering measures, corresponding to the highest environmental risk. In contrast, the membrane–soil composite covering exhibited the optimal inhibitory effect on the surface diffusion of TP and F−, but was less effective for metal and metalloid enrichment. Under acidic conditions (pH < 6), the vertical migration capacity of TP, F−, and MMs (Cu, Cd, Cr, Pb, and Zn) increased, leading to enrichment in the deep layers of the stack. With the increase in pH, the calcium-mediated precipitation–adsorption effect created a “geochemical barrier”, facilitating the solid-phase fixation of pollutants. A significant positive correlation among pollutants indicates synergistic release and fixation behaviors. In addition, a pH-controlled P-F-MM source-to-sink conceptual model was established, outlining the dissolution, precipitation, adsorption, fixation and re-enrichment pathway from fresh stock to leachate. This work provides insights for optimizing cover designs and pollution control strategies. Full article
(This article belongs to the Special Issue Emerging Contaminants and Their Transformation Products in the Environment: Advanced Analytical Methods for Assessing Ecological and Human Health Impacts)
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16 pages, 1058 KB  
Article
Determination of Polycyclic Aromatic Hydrocarbons and Organic Molecular Tracer Compounds in Dusts Samples from Schools in Puchuncaví and Quintero (Chile)
by Sonnia Parra, Manuel A. Bravo and Barend L. Van Drooge
Molecules 2026, 31(5), 818; https://doi.org/10.3390/molecules31050818 - 28 Feb 2026
Viewed by 323
Abstract
This investigation was conducted in order to gain a first knowledge of concentrations, distribution patterns, and potential sources of 16 US EPA priority polycyclic aromatic hydrocarbons (PAHs) and organic molecular tracer compounds in deposition dust samples collected in the Valparaiso region, Chile. Dust [...] Read more.
This investigation was conducted in order to gain a first knowledge of concentrations, distribution patterns, and potential sources of 16 US EPA priority polycyclic aromatic hydrocarbons (PAHs) and organic molecular tracer compounds in deposition dust samples collected in the Valparaiso region, Chile. Dust was sampled in schools (indoor and outdoor) that are located in Puchuncaví and Quintero. Source apportionment analysis using the concentrations of PAHs; glucose, mannitol, sucrose, fructose; di-2-ethylhexyl phthalate; hopanes, and levoglucosan as molecular tracer compounds showed three sources of contribution. The first (46.38%) was related to incomplete combustion processes (Acy, Flu, Ant, Flt, Pyr, and BaA), a second source (20%) represented soil+ biomass burning (levoglucosan, α glucose, β glucose, mannitol, sucrose, and fructose), and a third source (10.26%) was dominated only by 27_norhopane, 27_hopane, which are related to traffic. To assess potential health risks for schoolchildren, the study calculated the benzo[a]pyrene equivalent (BaPE) toxicity and the incremental lifetime cancer risk (ILCR). Toxicity equivalent (TEQ) results showed that the main contributor to overall toxicity in PAHs, especially in schools located in Puchuncaví, was benzo[a]pyrene (BaP), followed by benzo[α]anthracene (BaA), benzo[b]fluoranthene (BbF), benzo[k]fluoranthene (BkF), indeno[1,2,3-cd] pyrene (IcdP), and dibenzo[a,h]anthracene (DahA). According to the calculated ILCR values, the highest cancer risk was associated with dust ingestion (both indoor and outdoor) for ∑16PAHs, ranging from 1.14 × 10−3 to 8.88 × 10−4. This was followed by dermal contact (1.27 × 10−5 to 7.27 × 10−7) and inhalation (1.22 × 10−8 to 9.99 × 10−9). Full article
(This article belongs to the Special Issue Emerging Contaminants and Their Transformation Products in the Environment: Advanced Analytical Methods for Assessing Ecological and Human Health Impacts)
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17 pages, 953 KB  
Article
Grab Sampling or Passive Samplers? A Comparative Approach to Water Quality Monitoring
by Caterina Cacciatori, Jackie Myers, Giulio Mariani, Bernd Manfred Gawlik and Vincent Pettigrove
Molecules 2026, 31(3), 529; https://doi.org/10.3390/molecules31030529 - 3 Feb 2026
Cited by 1 | Viewed by 784
Abstract
Pesticide contamination poses significant threats to both humans and the environment, with residues frequently detected in surface waters worldwide. This study compares the effectiveness of passive samplers (POCIS and Chemcatcher) and grab sampling coupled with Stir-Bar Sorptive Extraction (SBSE) and Solid-Phase Extraction (SPE) [...] Read more.
Pesticide contamination poses significant threats to both humans and the environment, with residues frequently detected in surface waters worldwide. This study compares the effectiveness of passive samplers (POCIS and Chemcatcher) and grab sampling coupled with Stir-Bar Sorptive Extraction (SBSE) and Solid-Phase Extraction (SPE) for monitoring pesticides in surface waters. The comparative study was conducted at three sites in Victoria, Australia, representing different land uses. A total of 230 pesticides were screened, with 79 different pesticides detected overall. SBSE extracted the highest number of pesticides from grab samples, followed by SPE and passive samplers. The study highlights the complementarity of different sampling and extraction techniques in detecting a wide range of pesticides. The study also explores the suitability of these techniques for citizen science applications, emphasizing the importance of selecting appropriate methods based on specific research objectives and available resources. The findings underscore the need for a tiered approach, combining passive samplers for initial screening and grab sampling for quantitative analysis, to develop a robust monitoring strategy for protecting water quality. Full article
(This article belongs to the Special Issue Emerging Contaminants and Their Transformation Products in the Environment: Advanced Analytical Methods for Assessing Ecological and Human Health Impacts)
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Review

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21 pages, 11748 KB  
Review
Environmental Fate, Soil Ecological Responses and Fruit Quality Impacts of Emerging Contaminants (Antibiotics) in Orchard Ecosystems: A Review
by Yan Zeng, Wenxuan Quan and Chaochan Li
Molecules 2026, 31(5), 865; https://doi.org/10.3390/molecules31050865 - 5 Mar 2026
Cited by 1 | Viewed by 567
Abstract
With the rapid development of intensive animal husbandry, the widespread use of livestock and poultry manure as organic fertilizers has become a major anthropogenic source of antibiotic contamination in agricultural soils. Antibiotics, classified as “emerging contaminants” owing to their persistence, biological activity, and [...] Read more.
With the rapid development of intensive animal husbandry, the widespread use of livestock and poultry manure as organic fertilizers has become a major anthropogenic source of antibiotic contamination in agricultural soils. Antibiotics, classified as “emerging contaminants” owing to their persistence, biological activity, and potential ecotoxicity, undergo environmental fate processes such as adsorption–desorption, migration, transformation, and degradation upon entering orchard soils, with their behaviors regulated by multiple factors, including soil physicochemical properties, microbial communities, and climatic conditions. Antibiotics not only alter the structure and diversity of soil microbial communities, inhibit soil enzyme activities, and interfere with the cycling of carbon, nitrogen, and phosphorus nutrients but also induce the generation and dissemination of antibiotic resistance genes (ARGs) and affect the growth and reproduction of soil animals, triggering cascading effects on ecological processes. Moreover, antibiotics can be absorbed by fruit tree roots and transported to aboveground organs via the xylem or phloem. By interfering with photosynthesis, disrupting antioxidant systems, and affecting hormone balance, they inhibit the growth and development of fruit trees, thereby altering the appearance, nutritional, and flavor qualities of fruits. Furthermore, antibiotic residues and ARGs in fruits pose potential risks to food safety. This paper thoroughly analyzes the pollution levels, environmental interactions, and disposition of antibiotics in orchard soils, focusing on the mechanisms that influence their impact on soil microecology and biochemical processes. It also explores the absorption, transport, and accumulation patterns of antibiotics in fruit trees, as well as their effects on tree physiology, growth, fruit quality, and safety. Finally, the current research gaps and prospects are identified, aiming to provide a theoretical basis for ecological risk assessment, scientific prevention and control of antibiotic contamination in orchard ecosystems, and safeguarding of agricultural product safety. Full article
(This article belongs to the Special Issue Emerging Contaminants and Their Transformation Products in the Environment: Advanced Analytical Methods for Assessing Ecological and Human Health Impacts)
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