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Assessing comparable bioconcentration potentials for nanoparticles in aquatic organisms via combined utilization of machine learning and toxicokinetic models

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SmartMat 2023年第3期4卷 70-83页

作者： Shipeng Dong Zihao Wu Mingjie Wang Xiaoyan Sun Liang Mao State Key Laboratory of Pollution Control and Resource Reuse School of the EnvironmentNanjing UniversityNanjingChina Nanjing Qixia District Hospital NanjingChina

The toxicokinetic(TK)model‐derived kinetic bioconcentration factor(BCFk)provides a quantitatively comparable index to estimate the bioaccumulation potential of nanoparticles(NPs)that barely reach thermodynamic equilibrium in aquatic organisms,but experimental data are limited for various *** the present study,a machine learning model was applied to offer reliable in silico predictions for the dynamic body burden of diverse NPs to derive corresponding parameters for the TK *** developed eXtreme Gradient Boosting‐derived TK(XGB‐TK)model was applied to predict BCFk results for a broad range of metallic or carbonaceous NPs,with an appreciable prediction R2 of *** BCFk values were predicted based on a random combination of selected variable features,revealing that their bioaccumulation potential showed an overall negative correlation with NP density or organism *** applying importance analysis and partial dependence plots,NP density and organism size were revealed to be the top essential features that impact the bioaccumulation *** conjunctively used XGB‐TK model enabled a prior comparison for diverse NPs and straightforward derivation on the dependency of features,which could also guide the bioaccumulation mechanism exploration and experimental condition formulation.

关键词： aquatic organism BCF bioaccumulation machine learning nanoparticles toxicokinetic models

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Molecular characteristics of dissolved organic phosphorus in watershed runoff:Coupled influences of land use and precipitation

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Journal of Environmental Sciences 2025年第2期148卷 387-398页

作者： Zhanyao Shi Yao Du Hongni Liu Yamin Deng Yiqun Gan Xianjun Xie State Environmental Protection Key Laboratory of Source Apportionment and Control of Aquatic Pollution China University of GeosciencesWuhan 430078China Hubei Key Laboratory of Yangtze Catchment Environmental Aquatic Science China University of GeosciencesWuhan 430078China School of Environmental Studies&State Key Laboratory of Biogeology and Environmental Geology China University of GeosciencesWuhan 430078China

Land use and precipitation are two major factors affecting phosphorus(P)pollution of watershed ***,molecular characterization of dissolved organic phosphorus(DOP)in runoff under the joint influences of land use and precipitation remains *** study used Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR-MS)to study the molecular characteristics of DOP in a typical P-polluted watershed with spatially variable land use and *** results showed that low precipitation and intense human activity,including phosphate mining and associated industries,resulted in the accumulation of aliphatic DOP compounds in the upper reaches,characterized by low aromaticity and low biological *** precipitation and widespread agriculture in the middle and lower reaches resulted in highly unsaturated DOP compounds with high biological stability constituting a higher proportion,compared to in the upper ***,under similar precipitation,more aliphatic DOP compounds characterized by lower aromaticity and higher saturation were enriched in the lower reaches due to more influence from urban runoff relative to the middle *** and/or microbial processes did result in changes in the characteristics of DOP compounds during runoff processes due to the prevalence of low molecular weight and low O/C bioavailable aliphatic DOP molecules in the upper reaches,which were increasingly transformed into refractory compounds from the upper tomiddle *** results of this study can increase the understanding of the joint impacts of land use and precipitation on DOP compounds in watershed runoff.

关键词： Watershed runoff DOP FT-ICR MS Land use Precipitation

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Enhancing corn stalk-based anaerobic digestion with different types of zero-valent iron added during the acidification stage:Performance and mechanism

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Journal of Environmental Sciences 2024年第11期145卷 64-74页

作者： Xiang Liu Yue Liu Min Wang Qianzhen Deng Hao Yang College of Agricultural Science and Engineering Hohai UniversityNanjing 210098China State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China National and Local Joint Engineering Research Center of Ecological Treatment Technology for Urban Water Pollution Wenzhou UniversityWenzhou 325035China Anhui Provincial Key Laboratory of Environmental Pollution Control and Resource Reuse Anhui Jianzhu UniversityHefei 230009China

Anaerobic digestion has been defined as a competitive approach to facilitate the recycling of corn ***,few studies have focused on the role of direct interspecies electron transfer(DIET)pathway in the acidification stage under the addition of different particle sizes of zero-valent iron(ZVI).In this study,three types of ZVI,namely iron filings,iron powder and nanoscale iron,were investigated,respectively,to enhance its high-value *** in volatile fatty acids(VFAs)and methane(CH4)production associated with the underlyingmechanisms were emphatically *** indicated that the addition of ZVI could increase the concentration of VFAs,with the most outstanding performance observed with the use of nanoscale ***,the conversion of propionic acid to acetic acid was driven by adding ZVI with no between-group differences in acidizing ***,the substrate was more fully utilized when supplied with iron powder compared with other groups in methanogenic phase,thereby displaying the maximumCH4 yield with a value of 263.1 mL/(g total solids(TS)).However,adding nanoscale iron could signally shorten the digestion time(T80),saving 7 days in comparison to the group of iron powder.

关键词： Zero-valent iron Corn stalk Anaerobic digestion Volatile fatty acids Methane

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A novel approach to assessing the anaerobic bio-accessibility of straw using fractal dimension

Waste Management Bulletin

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Waste Management Bulletin 2024年第2期2卷 208-212页

作者： Hua, Yu Yan, Wenjing Li, Dongni Ma, Yike Yang, Yunyun Li, Junxian Chen, Shuxian Dai, Xiaohu State Key Laboratory of Pollution Control and Resources Reuse College of Environmental Science and Engineering Tongji University Shanghai 200092 China

Traditional methods for evaluating the bioconversion capacity of organic solid waste are known for time-consuming property and often exhibit low prediction accuracy. However, leveraging fractal dimensions offers a more precise characterization of the complexity, irregularity, and spatial structure of organic solid waste. In this study, a novel and efficient method for evaluating the bio-accessibility of straw's anaerobic transformation, based on fractal dimensions, was introduced. To comprehensively compare the structural differences, this research encompasses the measurement of nine different varieties of straw under ten distinct pretreatment conditions. The regression sum of squares for these correlations consistently exceeds 0.83, highlighting the robustness of our findings. The results unequivocally demonstrate the close relationship between the fractal dimension and the structural characteristics of straw. This relationship underscores the utility of fractal dimension analysis as a reliable tool for evaluating the anaerobic bio-accessibility of organic solid waste. © 2024 The Authors

关键词： Fractal geometry Internal structural characteristics Organic solid waste Prediction method

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Degradation of iopamidol in the permanganate/sulfite process:Evolution of iodine species and effect on the subsequent formation of disinfection by-products

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Journal of Environmental Sciences 2024年第1期135卷 345-352页

作者： Yimin Lin Hongyu Dong Yating Zhu Gongming Zhou Junlian Qiao Xiaohong Guan State Key Laboratory of Pollution Control and Resources Reuse College of Environmental Science and EngineeringTongji UniversityShanghai 200092China Department of Environmental Science School of Ecological and Environmental SciencesEast China Normal UniversityShanghai 200241China

Permanganate/sulfite(Mn(VII)/S(IV))process is a promising pre-oxidation technology for sequestering the emerging organic contaminants in drinking water treatment ***(IPM),a representative of iodinated X-ray contrast media,has been widely detected in water sources and has the risk of forming iodinated disinfection byproducts(I-DBPs)in water treatment *** this study,we investigated the evolution of iodine species during the IPM degradation by the Mn(VII)/S(IV)process and its effect on the subsequent formation of I-DBPs during chlorination at pH 7.0 and *** could be effectively degraded in the Mn(VII)/S(IV)process at environmentally relevant pH(pH 7.0 and 8.0).The results of quenching and competitive oxidation kinetic experiments revealed that SO^(·-)_(4)was the major reactive oxidizing species contributing to the degradation of IPM whereas the contributions of HO·and reactive manganese species were negligible in the Mn(VII)/S(IV)process.I–and IO–3were generated while no HOI was detected during the degradation of IPM in the Mn(VII)/S(IV)*** effects of IPM oxidation by Mn(VII)/S(IV)on the subsequent formation of chlorinated disinfection by-products(Cl-DBPs)during chlorination were related to the category of *** pre-oxidation of IPM by Mn(VII)/S(IV)resulted in the generation of I-DBPs during the disinfection process although no I-DBPs were detected if no pre-oxidation was *** finding of this study suggested that attention should be paid to the toxicity of DBPs when water containing iodinated organic contaminants is treated by Mn(VII)/S(IV)process or other pre-oxidation technologies.

关键词： Permanganate/sulfite Iopamidol Sulfate radical Iodinated disinfection byproducts Pre-oxidation

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Disinfection Byproducts and Their Precursors in Drinking Water sources:Origins,Influencing Factors,and Environmental Insights

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Engineering 2024年第5期36卷 36-50页

作者： Rong Xiao Yang Deng Zuxin Xu Wenhai Chu State Key Laboratory of Pollution Control and Resource Reuse College of Environmental Science and EngineeringTongji UniversityShanghai 200092China Ministry of Education Key Laboratory of the Yangtze River Water Environment Tongji UniversityShanghai 200092China Department of Earth and Environmental Studies Montclair State UniversityMontclairNJ 07043USA

Tracing the contamination origins in water sources and identifying the impacts of natural and human processes are essential for ecological safety and public ***,current analysis approaches are not ideal,as they tend to be laborious,time-consuming,or technically *** byproducts(DBPs)are a family of well-known secondary pollutants formed by the reactions of chemical disinfectants with DBP precursors during water disinfection *** DBP precursors have various origins(e.g.,natural,domestic,industrial,and agricultural sources),and since the formation of DBPs from different precursors in the presence of specific disinfectants is distinctive,we argue that DBPs and DBP precursors can serve as alternative indicators to assess the contamination in water sources and identify pollution *** providing a retrospective of the origins of DBPs and DBP precursors,as well as the specific formation patterns of DBPs from different precursors,this article presents an overview of the impacts of various natural and anthropogenic factors on DBPs and DBP precursors in drinking water *** practice,the DBPs(i.e.,their concentration and speciation)originally present in source water and the DBP precursors determined using DBP formation potential tests—in which water samples are dosed with a stoichiometric excess of specific disinfectants in order to maximize DBP formation under certain reaction conditions—can be considered as alternative *** jointly used with other water quality parameters(e.g.,dissolved organic carbon,dissolved organic nitrogen,fluorescence,and molecular weight distribution)and specific contaminants of emerging concern(e.g.,certain pharmaceuticals and personal care products),DBPs and DBP precursors in drinking water sources can provide a more comprehensive picture of water pollution for better managing water resources and ensuring human health.

关键词： Disinfection byproducts Disinfection byproduct precursors Drinking water sources Contamination indicator Natural factors Human factors

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Nonmicrobial mechanisms dominate the release of CO_(2)and the decomposition of organic matter during the short-term redox process in paddy soil slurry

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Eco-Environment & Health 2023年第4期2卷 227-234页

作者： Jinsong Liu Changyin Zhu Xiantang Liu Xiaolei Wang Dongmei Zhou State Key Laboratory of Pollution Control and Resource Reuse School of the EnvironmentNanjing UniversityNanjing 210023China

Both biotic and abiotic mechanisms play a role in soil CO_(2)emission ***,abiotically mediated CO_(2)emission and the role of reactive oxygen species are still poorly understood in paddy *** study revealed thatOH promoted CO_(2)emission in paddy soil slurries during short-term oxidation(4 h).OH generation was highly hinged on active Fe(II)content,and theOH contribution to CO_(2)efflux was 10%–33%in topsoil and 40%–77%in deep-soil *** CO_(2)efflux was higher in topsoil slurries,which contained more dissolved organic carbon(DOC).CO_(2)efflux correlated well with DOC contents,suggesting the critical role of *** mechanisms contributed 9%–45%to CO_(2)production,as estimated byγ-ray sterilization experiments in the short-term reoxidation ***-aqueous separation experiments showed a significant reduction in net CO_(2)efflux across all soil slurries after the removal of the original aqueous phase,indicating that the water phase was the main source of CO_(2)emission(>50%).Besides,C emission was greatly affected by pH fluctuation in acidic soil but not in neutral/alkaline *** transform ion cyclotron resonance mass spectrometry and excitation-emission matrix results indicated that recalcitrant and macromolecular dissolved organic matter(DOM)components were more easily removed or attacked by·*** decrease in DOM content during the short-term reoxidation was the combined result of ·OH oxidation,co-precipitation,and soil organic matter *** study emphasizes the significance of the generally overlooked nonmicrobial mechanisms in promoting CO_(2)emission in the global C cycle,and the critical influence of the aqueous phase on C loss in paddy environments.

关键词： Soil Dissolved organic matter Abiotically mediated CO_(2)emission Reactive oxygen species

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New insights into FeS/persulfate system for tetracycline elimination:Iron valence,homogeneous-heterogeneous reactions and degradation pathways

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Journal of Environmental Sciences 2022年第2期34卷 48-58页

作者： Jinhong Fan Ying Cai Shihao Shen Lin Gu State Key Laboratory of Pollution Control and Resources Reuse College of Environmental Science and EngineeringTongji UniversityShanghai 200092China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China

In this study,complete tetracycline(TTC)and above 50%of total organic carbon(TOC)were removed by Fe S/PS after 30 min under optimized *** free radicals and high-valent iron ions were identified to generate in the process,the apparent similarity between intermediate products of Fe S/PS,Fe/PS,and UV/PS systems demonstrated that the degradation of TTC was due to sulfate radicals(SO_(4)·^(-))and hydroxyl radicals(·OH).Based on the reaction between free radicals and organic matter,we speculated that TTC in the Fe S/PS system was decomposed and mineralized by dehydration,dehydrogenation,hydroxyl addition,demethylation,substitution,E-transfer,and ***,a new understanding of Fe S-mediated PS activation based on stoichiometry and kinetic analysis showed that there were both homogeneous and heterogeneous reactions that occurred in the entire ***,due to the effect of p H on the dissolution of iron ions,the homogeneous reaction became the principal process with iron ions concentration exceeding 1.35 mg/*** work provides a theoretical basis for the study of the degradation of TTC-containing wastewater by the iron-based advanced oxidation process.

关键词： Tetracycline Persulfate activation Iron valence Homogeneous-heterogeneous reactions Degradation pathways

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Enhanced degradation of florfenicol by microscale SiC/Fe:Dechlorination via hydrogenolysis

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Chinese Chemical Letters 2024年第7期35卷 218-221页

作者： Yun-Fei Zhang Chun-Hui Zhang Jian-Hui Xu Lei Li Dan Li Jin-Hong Fan Jiale Gao Xin Quan Qi Wu Yue Zou Yan-Ling Liu Dongguan University of Technology School of Environment and Civil EngineeringDongguan 523830China State Key Laboratory of Pollution Control and Resource Reuse School of Environmental Science and EngineeringTongji UniversityShanghai 200092China

Herein,the degradation of florfenicol(FLO)over zero-valent iron(ZVI)enhanced by SiC was systematically *** was found that 5 g/L of ZVI/SiC(1:3)at pH 3.0 could completely degrade 20 mg/L of FLO within 1 h,with a Kobsvalue of 0.0873 min^(-1),12.5 times greater than that of pure ZVI(0.0069 min^(-1)).Vibrating sample magnetometer(VSM)characterizations revealed that the use of SiC supporter reduces the magnetic intensity of ZVI,which mitigates iron particle agglomeration,increases Brunauer-Emmett-Teller(BET)surface area,and enhances FLO degradation ***,ZVI/SiC exhibits a much lower hydrogen evolution potential(HEP)and significantly higher corrosion currents compared to pure *** was proposed to undergo degradation via reductive dechlorination,involving a hydrogenolysis mechanism that entails the cleavage of theσ*** study provides new insights into the reduction hydrogenation mechanism of ZVI.

关键词： Zero-valent iron Silicon carbide Reductive dechlorination Hydrogenolysis Florfenicol

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Comparative evaluation of SPE methods for biotoxicity assessment of water and wastewater:Linkage between chemical extracting efficiency and biotoxicity outcome

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Journal of Environmental Sciences 2024年第8期142卷 33-42页

作者： Jiawei Zhou Shihao Wang Xiwei He Hongqiang Ren Xu-Xiang Zhang State Key Laboratory of Pollution Control and Resource Reuse School of EnvironmentNanjing UniversityNanjing 210023China

Biotoxicity assessment results of environmental waters largely depend on the sample extraction protocols that enrich pollutants to meet the effect-trigger thresholds of ***,more chemical mixture does not necessarily translate to higher combined ***,there is a need to establish the link between chemical extracting efficiency and biotoxicity outcome to standardize extraction methods for biotoxicity assessment of environmental *** study compares the performance of five different extraction phases in solid phase extraction(SPE),namely HLB,HLB+Coconut,C18 cartridge,C18 disk and Strata-X,and evaluated their chemical extracting efficiencies and biotoxicity *** quantitatively assessed cytotoxicity,acute toxicity,genotoxicity,estrogenic activity,and neurotoxicity of the extracts using in vitro bioassays and characterized the chemical extracting efficiencies of the SPE methods through chemical recoveries of 23 model compounds with different polarities and total organic *** Pareto ranking,we identified HLB+Coconut as the optimal SPE method,which exhibited the highest level of water sample biotoxicity and recovered the most chemicals in water *** found that the biotoxicity outcomes of the extracted water samples significantly and positively correlated with the chemical extracting efficiencies of the SPE ***,we observed synchronous changing patterns in biotoxicity outcome and chemical extracting efficiencies in response to increasing sample volumes per cartridge(SVPC)during *** findings underscore that higher chemical extracting efficiency of SPE corresponds to higher biotoxicity outcome of environmental water samples,providing a scientific basis for standardization of SPE methods for adequate assessment of biotoxicities of environmental waters.

关键词： Biotoxicity Chemical recovery Solid phase extraction Surface water Wastewater

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