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The occurrence of emerging contaminants (ECs), such as pharmaceuticals and personal care products (PPCPs), perfluoroalkyl and polyfluoroalkyl substances (PFASs) and endocrine-disrupting chemicals (EDCs) in aquatic environments represent a major threat to water resources due to their potential risks to the ecosystem and humans even at trace levels. Mathematical modelling can be a useful tool as a comprehensive approach to study their fate and transport in natural waters. However, modelling studies of the occurrence, fate and transport of ECs in aquatic environments have generally received far less attention than the more widespread field and laboratory studies. In this study, we reviewed the current status of modelling ECs based on selected representative ECs, including their sources, fate and various mechanisms as well as their interactions with the surrounding environments in aquatic ecosystems, and explore future development and perspectives in this area. Most importantly, the principles, mathematical derivations, ongoing development and applications of various ECs models in different geographical regions are critically reviewed and discussed. The recommendations for improving data quality, monitoring planning, model development and applications were also suggested. The outcomes of this review can lay down a future framework in developing a comprehensive ECs modelling approach to help researchers and policymakers effectively manage water resources impacted by rising levels of ECs., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

Previous studies showed the presence of multiple emerging organic contaminants (EOCs) in urban surface waters of Singapore even though there are no obvious direct wastewater discharges. In this study, we investigated the occurrence and distribution of 17 pharmaceuticals and personal care products (PPCPs) and endocrine disruptive compounds (EDCs) in a tropical urban catchment of Singapore. Monthly samples were collected from a reservoir and its 5 upstream tributaries during a 16-month period. Analysis of samples showed all sites had measurable PPCP and EDC concentrations, with caffeine (33.9-2980 ng/L), salicylic acid (5-838 ng/L), acetaminophen (<4-485.5 ng/L), BPA (<2-919.5 ng/L) and DEET (13-270 ng/L) being the most abundant. Marked differences in concentrations of target analytes between the reservoir and upstream tributaries were observed, and were tentatively attributed to the spatial differences in source inputs, water dilution capacity as well as natural attenuation of EOCs. Significant correlations between EOCs and conductivity, dissolved oxygen, chlorophyll a, turbidity, nutrients and cumulative precipitation were observed. These factors appeared to affect the distribution and attenuation of EOCs, depending on their physicochemical properties. Rainfall also influenced the temporal distribution of caffeine, BPA, triclosan, fipronil and DEET in the reservoir. Ecological risk assessment showed that caffeine, acetaminophen, estrone, BPA, triclosan and fipronil may warrant further survey. In particular, BPA levels exceeded the literature-based Predicted No-Effect Concentration (PNEC) value, highlighting the need for source control and/or water remediation in this urban catchment., (Copyright © 2015 Elsevier B.V. All rights reserved.)