Non-target Screening and Prioritization of Organic Contaminants in Seawater Desalination and Their Ecological Risk Assessment
This study shows that not all pollutants are concentrated during the desalination process. In this study, the total concentration of pesticide in the brine increased by 58.42%. The concentration of ∑PAEs decreased by 13.65% in reverse osmosis desalination plants and increased by 10.96% in the multi-effect distillation plant. The concentration of trihalomethane increased significantly in the desalination concentrate. The change in the concentration of pollutants in the desalination concentrate was related to the pretreatment method and the chemical characteristics of the contaminants. The method and results given in this ...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Song Hanwen Zhang Xiaoqing Xu Xiong Feng Xuemin Song Da Imran Ali Cao Junrui Peng Changsheng Source Type: research

Chloroperfluoropolyether carboxylate compounds: a review
Chemosphere. 2024 Apr 17:142045. doi: 10.1016/j.chemosphere.2024.142045. Online ahead of print.ABSTRACTSeveral new per- and polyfluoroalkyl substances (PFASs) have been synthesized to replace traditional (legacy) PFASs frequently without clear information on their structure, use and potential toxicity. Among them, chloroperfluoropolyether carboxylates (ClPFPECAs) are an emerging group used as processing aids in the production of fluoropolymers to replace the ammonium salt of perfluorononanoic acid (PFNA). The Solvay Company has produced ClPFPECAs as a mixture of six congeners (oligomers) since the mid-1990s, but other poss...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Elisabetta Bucaletti Carolina Barola Roberta Galarini Source Type: research

Modeling the degradation of polypropylene and polystyrene under shock compression and mechanical cleaving using the ReaxFF force field
Chemosphere. 2024 Apr 17;357:142056. doi: 10.1016/j.chemosphere.2024.142056. Online ahead of print.ABSTRACTPolypropylene (PP) and polystyrene (PS) underwent a comprehensive investigation into their mechanical and chemical degradation through reactive molecular dynamics simulations. The simulations utilized the ReaxFF force field for CHO (carbon-hydrogen-oxygen) systems in the combustion branch. The study included equilibrium simulations to determine densities and melting temperatures, non-equilibrium simulations for stress-strain and Young moduli determination, mechanical cleaving to identify surface species resulting from...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Tomasz Panczyk Krzysztof Nieszporek Pawel Wolski Source Type: research

Bio-based P-N flame retardant with ZIF-67 in-situ growth on flexible polyurethane foam with excellent fire safety performance
Chemosphere. 2024 Apr 17;357:142048. doi: 10.1016/j.chemosphere.2024.142048. Online ahead of print.ABSTRACTThe wide application of flexible polyurethane foam (FPUF) poses a giant challenge to human society in terms of fire prevention and environmental pollution. To solve this problem, the lignocellulose-based P-N flame retardant (LFPN) has been developed using mechanochemical methods. It was found that FPUF treated using LFPN exhibited good flame retardancy, but suffered from high smoke generation and toxicity. The hollow dodecahedral ZIF-67 has been used for smoke suppression catalysis, but the agglomeration phenomenon ma...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Yiwei Geng Rongjia Li Zexuan Zhao Gaoyuan Li Biyu Huang Xilei Chen Chuanmei Jiao Source Type: research

Decreased Treg cells induced by bisphenol A is associated with up-regulation of PI3K/Akt/mTOR signaling pathway and Foxp3 DNA methylation in spleen of adolescent mice
Chemosphere. 2024 Apr 17;357:141957. doi: 10.1016/j.chemosphere.2024.141957. Online ahead of print.ABSTRACTThe current study aimed to explore whether bisphenol A (BPA) exposure aggravated the decrease in Tregs induced by ovalbumin (OVA) in adolescent female mouse models of asthma, and whether the process was associated with mTOR-mediated signaling pathways and DNA methylation levels. A total of 40 female C57BL/6 mice at the age of four weeks were used and divided into five groups after 1 week of domestication. Each group consisted of eight mice: the control group, OVA group, OVA + BPA (0.1 μg mL-1) group, OVA + BPA (0.2 Î...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Simeng Wang Youdan Dong Lingling Zhai Yinglong Bai Yilong Yang Lihong Jia Source Type: research

Effect of Calcium and Phosphorus on Ammonium and Nitrate Nitrogen Adsorption onto Iron (Hydr)oxides Surfaces: CD-MUSIC Model and DFT Computation
This study employed batch adsorption experiments, charge distribution and multi-site complexation (CD-MUSIC) models and density functional theory (DFT) calculations to elucidate the mechanism by which Ca2+ and PO43- affect the adsorption of NH4+-N and NO3--N on the goethite (GT) surface. The results showed that the adsorption of NH4+-N on the GT exhibited an initial increase followed by a decrease as pH increased, peaking at a pH of 8.5. Conversely, the adsorption of NO3--N decreased with rising pH. According to the CD-MUSIC model, Ca2+ minimally affected the NH4+-N adsorption on the GT but enhanced NO3--N adsorption via e...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Mengke Jia Jie Ma Qiongqiong Zhou Lijie Liu Xiaolei Jie Hongen Liu Shiyu Qin Chang Li Fuqing Sui Haichao Fu Haijiao Xie Long Wang Peng Zhao Source Type: research

Australian Black Summer smoke signal on Antarctic aerosol collected between New Zealand and the Ross Sea
In this study, five aerosol samples (total suspended particles with a diameter >1 μm) were collected during the XXXV Italian Expedition in Antarctica on board of the R/V Laura Bassi from 6th of January to 16th of February 2020, along the sailing route from Lyttelton harbor (New Zealand) to Terra Nova Bay (Antarctica). Levoglucosan and its isomers have been analyzed as markers of BB, together with polycyclic aromatic hydrocarbons (PAHs), sucrose and alcohol sugars. Ionic species and carboxylic acids have been analyzed to support the identification of aerosol sources and its aging. Results showed high levoglucosan concen...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Elisa Scalabrin Elena Barbaro Sarah Pizzini Marta Radaelli Matteo Feltracco Rossano Piazza Andrea Gambaro Gabriele Capodaglio Source Type: research

A comprehensive and molecular level evaluation of treated wastewater reusing via drip systems: interactions of dissolved ions and hydraulic shear stresses on calcium carbonate scaling
Chemosphere. 2024 Apr 17:142071. doi: 10.1016/j.chemosphere.2024.142071. Online ahead of print.ABSTRACTTo overcome the global water shortage, the treated wastewater is increasingly utilized in agricultural irrigation, and thus reducing freshwater consumption and increasing the water sustainability. Drip irrigation technology is the most appropriate irrigation method to utilize these water sources. However, its operating performance is negatively affected by calcium carbonate (CaCO3) scaling, which is one of the most dominant precipitations and also closely related to dissolved ions and the hydraulic characteristics inside ...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Yan Shen Bo Zhou Jaume Puig-Bargu és Yang Xiao Wenchao Liu Buchun Si Yunkai Li Source Type: research

Study on the mechanism and degradation behavior of Encifer adhaerens DNM-S1 capturing dimethyl phthalate
Chemosphere. 2024 Apr 17:141919. doi: 10.1016/j.chemosphere.2024.141919. Online ahead of print.ABSTRACTThe global concern surrounding pollution caused by phthalates is escalating, with dimethyl phthalate (DMP) emerging as one of the most prevalent contaminants within the phthalates (PAEs) category. Although the biodegradation of DMP is considered both safe and efficient, its underlying degradation mechanism is not yet fully elucidated, and the degradation performance can be somewhat inconsistent. To address this issue, our study isolated a DMP-degrading bacterium (DNM-S1) from a vegetable greenhouse. The resulting data rev...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Lei Wang Chengcheng Feng Yuxin Chen Qingqing Meng Jingwei Li Yi Liu Wenqian Zhang Zhe Li Jianhua Qu Ying Zhang Source Type: research

Non-target Screening and Prioritization of Organic Contaminants in Seawater Desalination and Their Ecological Risk Assessment
This study shows that not all pollutants are concentrated during the desalination process. In this study, the total concentration of pesticide in the brine increased by 58.42%. The concentration of ∑PAEs decreased by 13.65% in reverse osmosis desalination plants and increased by 10.96% in the multi-effect distillation plant. The concentration of trihalomethane increased significantly in the desalination concentrate. The change in the concentration of pollutants in the desalination concentrate was related to the pretreatment method and the chemical characteristics of the contaminants. The method and results given in this ...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Song Hanwen Zhang Xiaoqing Xu Xiong Feng Xuemin Song Da Imran Ali Cao Junrui Peng Changsheng Source Type: research

Chloroperfluoropolyether carboxylate compounds: a review
Chemosphere. 2024 Apr 17:142045. doi: 10.1016/j.chemosphere.2024.142045. Online ahead of print.ABSTRACTSeveral new per- and polyfluoroalkyl substances (PFASs) have been synthesized to replace traditional (legacy) PFASs frequently without clear information on their structure, use and potential toxicity. Among them, chloroperfluoropolyether carboxylates (ClPFPECAs) are an emerging group used as processing aids in the production of fluoropolymers to replace the ammonium salt of perfluorononanoic acid (PFNA). The Solvay Company has produced ClPFPECAs as a mixture of six congeners (oligomers) since the mid-1990s, but other poss...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Elisabetta Bucaletti Carolina Barola Roberta Galarini Source Type: research

Modeling the degradation of polypropylene and polystyrene under shock compression and mechanical cleaving using the ReaxFF force field
Chemosphere. 2024 Apr 17;357:142056. doi: 10.1016/j.chemosphere.2024.142056. Online ahead of print.ABSTRACTPolypropylene (PP) and polystyrene (PS) underwent a comprehensive investigation into their mechanical and chemical degradation through reactive molecular dynamics simulations. The simulations utilized the ReaxFF force field for CHO (carbon-hydrogen-oxygen) systems in the combustion branch. The study included equilibrium simulations to determine densities and melting temperatures, non-equilibrium simulations for stress-strain and Young moduli determination, mechanical cleaving to identify surface species resulting from...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Tomasz Panczyk Krzysztof Nieszporek Pawel Wolski Source Type: research

Bio-based P-N flame retardant with ZIF-67 in-situ growth on flexible polyurethane foam with excellent fire safety performance
Chemosphere. 2024 Apr 17;357:142048. doi: 10.1016/j.chemosphere.2024.142048. Online ahead of print.ABSTRACTThe wide application of flexible polyurethane foam (FPUF) poses a giant challenge to human society in terms of fire prevention and environmental pollution. To solve this problem, the lignocellulose-based P-N flame retardant (LFPN) has been developed using mechanochemical methods. It was found that FPUF treated using LFPN exhibited good flame retardancy, but suffered from high smoke generation and toxicity. The hollow dodecahedral ZIF-67 has been used for smoke suppression catalysis, but the agglomeration phenomenon ma...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Yiwei Geng Rongjia Li Zexuan Zhao Gaoyuan Li Biyu Huang Xilei Chen Chuanmei Jiao Source Type: research

Decreased Treg cells induced by bisphenol A is associated with up-regulation of PI3K/Akt/mTOR signaling pathway and Foxp3 DNA methylation in spleen of adolescent mice
Chemosphere. 2024 Apr 17;357:141957. doi: 10.1016/j.chemosphere.2024.141957. Online ahead of print.ABSTRACTThe current study aimed to explore whether bisphenol A (BPA) exposure aggravated the decrease in Tregs induced by ovalbumin (OVA) in adolescent female mouse models of asthma, and whether the process was associated with mTOR-mediated signaling pathways and DNA methylation levels. A total of 40 female C57BL/6 mice at the age of four weeks were used and divided into five groups after 1 week of domestication. Each group consisted of eight mice: the control group, OVA group, OVA + BPA (0.1 μg mL-1) group, OVA + BPA (0.2 Î...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Simeng Wang Youdan Dong Lingling Zhai Yinglong Bai Yilong Yang Lihong Jia Source Type: research

Effect of Calcium and Phosphorus on Ammonium and Nitrate Nitrogen Adsorption onto Iron (Hydr)oxides Surfaces: CD-MUSIC Model and DFT Computation
This study employed batch adsorption experiments, charge distribution and multi-site complexation (CD-MUSIC) models and density functional theory (DFT) calculations to elucidate the mechanism by which Ca2+ and PO43- affect the adsorption of NH4+-N and NO3--N on the goethite (GT) surface. The results showed that the adsorption of NH4+-N on the GT exhibited an initial increase followed by a decrease as pH increased, peaking at a pH of 8.5. Conversely, the adsorption of NO3--N decreased with rising pH. According to the CD-MUSIC model, Ca2+ minimally affected the NH4+-N adsorption on the GT but enhanced NO3--N adsorption via e...
Source: Chemosphere - April 19, 2024 Category: Chemistry Authors: Mengke Jia Jie Ma Qiongqiong Zhou Lijie Liu Xiaolei Jie Hongen Liu Shiyu Qin Chang Li Fuqing Sui Haichao Fu Haijiao Xie Long Wang Peng Zhao Source Type: research