Organophosphate flame retardants (OPFRs) have been detected in various environmental matrices and have been identified as emerging contaminants (EC). Given the adverse influence of OPFRs, many researchers have focused on the absorption, bioaccumulation, metabolism, and internal exposure processes of OPFRs in animals and humans. This paper first reviews the evolution of various types of flame retardants (FRs) and the environmental pollution of OPFRs, the different absorption pathways of OPFRs by animals and humans (such as inhalation, ingestion, skin absorption and absorption), and then summarizes the environmental impacts of OPFRs, including their biological toxicity, bioaccumulation, persistence, migration, endocrine disruption and carcinogenicity. Based on limited available data and results, this study also summarizes the bioaccumulation and biomagnification potential of OPFRs in different types of biological and food nets. In addition, a new governance idea for the replacement of existing OPFRs from the source is proposed, seeking environmentally friendly alternatives to OPFRs in order to provide new ideas and theoretical guidance for the removal of OPFRs.

Tire wear particles (TWPs), common mixed particulate emerging contaminants in the environment, have global per capita emissions accounting for 0.23-1.9 kg/year, attracting global attention recently due to their wide detection, small size, mobility, and high toxicity. This review focuses on the occurrence characteristics of TWPs in multiple environmental media, adverse effects on organisms, potential toxicity mechanisms, and environmental risk prevention and control strategies of TWPs. The environmental fate of TWPs throughout the entire process is systematically investigated by the bibliometric analysis function of CiteSpace. This review supplements the gap in the joint toxicity and related toxicity mechanisms of TWPs with other environmental pollutants. Based on the risks review of TWPs and their additives, adverse impacts have been found in organisms from aquatic environments, soil, and humans, such as the growth inhibition effect on Chironomus dilutes. A multi-faceted and rationalized prevention and control treatment of "source-process-end" for the whole process can be achieved by regulating the use of studded tires, improving the tire additive formula, growing plants roadside, encouraging micro-degradation, and other methods, which are first reviewed. By addressing the current knowledge gaps and exploring prospects, this study contributes to developing strategies for reducing risks and assessing the fate of TWPs in multiple environmental media.

In the present study, the combined toxic effect of microplastics and their additives (five) on aquatic organisms (zebrafish) was studied using full factorial design method, molecular docking, and molecular dynamics (MD) simulation technology. The aquatic toxicity control programmer was designed to improve the optimal combination of plasticizer and microplastics based on the design of environment-friendly phthalic acid ester (PAE) derivatives. First, a total of 64 groups of microplastic-additives were designed using the full factorial design method. Next, the microplastic-additives and aquatic receptor protein were docked together, and the binding energy of these complexes was calculated using the MD simulation method. The results revealed that the aquatic toxicity effects of different microplastic-additive combinations were variable; therefore, the optimal combination of microplastics exhibiting the lowest aquatic toxicity effect could be screened out. Base on the analyzing the bonding effect and surrounded amino acid residues between the microplastic additives and receptor protein, the main driving forces for the binding of the microplastic-additive and the protein were hydrophobic force, hydrogen bonding force and electrostatic force. The main effects and the second-order interaction of the microplastic-additives combination were analyzed using the fixed-effect model. The main additives that affect the aquatic toxicity of the microplastics can be known. In addition, based on the MD simulation of the molecular replacement of PAE derivatives, the optimal level of component combination of low aquatic toxicity effect of microplastics was constructed.

Synthetic musks (SMs) are odor additives commonly used in the personal care products. Their wide existence in the environment and the recently reported adverse impact on the production and activity of progesterone and estrogen have raised pregnancy red flags and even lead to a pregnancy loss. Apart from the suggestion of limiting SM contact and exposure, effective abortion risk control measures for SMs remain to be blank. Facing the above challenges, this study tried to establish a new theoretical circumvention strategy to reduce the abortion risk of SMs to pregnant women by designing the supplementary diet plan and environmentally friendly SMs derivatives using molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) models. According to the supplementary diet plan, the diet combination of vitamin E, vitamin B₂, niacin, vitamin A, and vitamin B₆ were confirmed to not only provide essential nutrients for human health, but also reduce the abortion risk in pregnant women in daily life. The multi-activity (binding ability of SMs with progesterone-estrogen) 3D-QSAR model was constructed to screen SMs derivatives. The LibDock score, a parameter reflecting the binding ability between SMs' Derivative-24 with progesterone-estrogen, decreased as much as 137.67% compared with its precursor galaxolide (HHCB). The 3D-QSAR models assisted screening indicated that Derivative-24 had lower environmental impacts (i.e., bioconcentration and mobility) and improved functional properties (odor stability, musky scent, and odor intensity). The integration of the optimum candidate, Derivative-24, with optimum three supplementary diet plans exhibited a much lower abortion risk than HHCB, demonstrating the effectiveness of the proposed theoretical circumvention strategy as a comprehensive abortion risk control measure. It also shed light on the design of new pharmaceutical and personal care products using advanced computing tools.