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An active bifunctional natural dye for stable all-solid-state organic batteries

Author(s): Yu Q; Hu Y; Deng S; Shakouri M; Chen J; Martins V; Nie HY; Huang Y; Zhao Y; Zaghib K; Sham TK; Li X;

Sustainable and cost-effective organic electrode materials are promising for next-generation lithium-ion batteries but are hindered by severe shuttle effects. While all-solid-state batteries offer a potential solution, chemical and mechanical incompatibility between organic electrode materials an ...

Article GUID: 40993135


Molecular docking for screening chemicals of environmental health concern: insight from a case study on bisphenols

Author(s): Norouzi S; Nahmiach N; Perez G; Zhu Y; Peslherbe GH; Muir DCG; Zhang X;

To explore the use of molecular docking as a high throughput in silico screening tool for identifying chemicals of environmental health concern, we conducted a case study to assess endocrine disruption effects due to targeting of nuclear receptors (NRs) by chemicals with backbone structures like bisphenols, but with varied functional groups. The molecular ...

Article GUID: 40970403


Understanding the environmental fate and risks of organophosphate esters: Challenges in linking precursors, parent compounds, and derivatives

Author(s): Li Z; Chen R; Xing C; Zhong G; Zhang X; Jones KC; Zhu Y;

Organophosphate esters (OPEs) have emerged as a global environmental and health concern due to their persistent, bioaccumulative, and toxic (PBT) properties. Recently, their precursors-organophosphite antioxidants (OPAs)-and transformation products, which may exhibit greater persistence and toxicity, have gained attention as critical contributors to OPE-r ...

Article GUID: 40845576


Solid solvation structure design improves all-solid-state organic batteries

Author(s): Hu Y; Su H; Fu J; Luo J; Yu Q; Zhao F; Li W; Deng S; Liu Y; Yuan Y; Gan Y; Wang Y; Kim JT; Chen N; Shakouri M; Hao X; Gao Y; Pang T; Zhang N; Jiang M; Li X; Zhao Y; Tu J; Wang C; Sun X;

Organic electrode materials offer a versatile, sustainable approach for next-generation lithium-ion batteries but are limited by low working voltages and poor cycling stability. Here we report a solid-solvation-structure design strategy to improve both the voltage and stability of organic electro ...

Article GUID: 40759737


Strategies to Reduce Uncertainties from the Best Available Physicochemical Parameters Used for Modeling Novel Organophosphate Esters across Multimedia Environments

Author(s): Xing C; Ge J; Chen R; Li S; Wang C; Zhang X; Geng Y; Jones KC; Zhu Y;

Organophosphate esters (OPEs) raise growing environmental and human health concerns globally. However, numerous novel OPEs lack data on physicochemical properties, which are essential for assessing environmental fate, exposure, and risks. This study predicted water solubility (Sw), vapor pressure (Vp), octanol-water partition coefficient (Kow), and octano ...

Article GUID: 40105294


A DiffeRential Evolution Adaptive Metropolis (DREAM)-based inverse model for continuous release source identification in river pollution incidents: Quantitative evaluation and sensitivity analysis

Author(s): Zhu Y; Cao H; Gao Z; Chen Z;

The identification of continuous pollution sources for rivers is of great concern for emergency response. Most studies focused on instantaneous river pollution sources and associated incidents. There is a dire need to address continuous pollution sources, as pollutant discharge may impose a major impact on the water ecosystem. Therefore, in this study, a ...

Article GUID: 38309421


Development of a DREAM-based inverse model for multi-point source identification in river pollution incidents: Model testing and uncertainty analysis

Author(s): Zhu Y; Chen Z;

Source identification plays a vital role in implementing control measures for sudden river pollution incidents. In contrast to single-point source identification problems, there have been no investigations into inverse identification of multi-point emissions. In this study, an inverse model is developed based on the observed time series of pollutant conce ...

Article GUID: 36191500


Update on air pollution control strategies for coal-fired power plants

Author(s): Asif Z; Chen Z; Wang H; Zhu Y;

Abstract: Coal is expected to remain a significant power supply source worldwide and shifting to carbon-neutral fuels will be challenging because of growing electricity demand and booming industrialization. At the same time, coal consumption results in severe air pollution and health concerns. Improvement in emission control technologies is a key to impro ...

Article GUID: 35572480


Indoor exposure to selected flame retardants and quantifying importance of environmental, human behavioral and physiological parameters

Author(s): Li Z; Zhang X; Wang B; Shen G; Zhang Q; Zhu Y;

Indoor exposure to organic flame retardants (FRs) has raised extensive concern due to associated adverse health effects. Indoor-exposure induced daily intakes of six widely used FRs individually ranged 0.002-611 ng/day and 0.02-463 ng/day, respectively, for adults and 2-6-year-old children; and resulting internal exposure levels ranged 0.1-159 and 2.1-450 ...

Article GUID: 35461943


Modeling of Flame Retardants in Typical Urban Indoor Environments in China during 2010-2030: Influence of Policy and Decoration and Implications for Human Exposure

Author(s): Li Z; Zhu Y; Wang D; Zhang X; Jones KC; Ma J; Wang P; Yang R; Li Y; Pei Z; Zhang Q; Jiang G;

Novel flame retardants (FRs) are of increasing concern, given growing evidence of health effects and use to replace polybrominated diphenyl ethers (PBDEs). This study modeled combined effects of use policies and decoration on indoor FRs and human exposure for 18 widely used PBDEs, organophosphate ...

Article GUID: 34410710


Identification of point source emission in river pollution incidents based on Bayesian inference and genetic algorithm: Inverse modeling, sensitivity, and uncertainty analysis

Author(s): Zhu Y; Chen Z; Asif Z;

Identification of pollution point source in rivers is strenuous due to accidental chemical spills or unmanaged wastewater discharges. It is crucial to take physical characteristics into account in the estimation of pollution sources. In this study, an integrated inverse modeling framework is developed to identify a point source of accidental water polluti ...

Article GUID: 34380214


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