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Prediction model on hydrolysis kinetics of phthalate monoester:A density functional theory study

Journal of environmental Sciences 2024年第1期135卷 51-58页

作者： Tong Xu Jingwen Chen Deming Xia Weihao Tang Jiansheng Cui Chun Liu Shuangjiang Li College of environmental Science and Engineering Hebei University of Science and TechnologyShijiazhuang 050000China Key Laboratory of Industrial Ecology and environmental Engineering(Ministry of Education) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China National-Regional Joint Engineering research center for Soil Pollution Control and Remediation in South China Guangdong Key Laboratory of Integrated Agro-environmental Pollution Control and ManagementInstitute of Eco-environmental and Soil SciencesGuangdong Academy of SciencesGuangzhou 510650China

As primary degradation products of phthalate esters,phthalate monoesters(MPEs)have been widely detected in various aquatic environments and drawn growing toxicological *** kinetics that is of importance for assessing environmental persistence of chemicals remain elusive for ***,kinetics of base-catalyzed and neutral hydrolysis for 18 MPEs with different leaving groups was investigated by density functional theory *** indicate that MPEs with leaving groups having p Kaof<10 prefer dissociative transition *** are more persistent than their parents,and their hydrolysis half-lives were calculated to vary from 3.4 min to 79.2 years(p H=7–9).A quantitative structure-activity relationship model was developed for predicting the hydrolysis kinetics *** was found that p Kaof the leaving groups and electronegativity of the MPEs are key factors determining the hydrolysis *** work may lay a theoretical foundation for better understanding the chemical process that governs MPE persistence in aquatic environments.

关键词： Phthalate monoesters Phthalate esters Hydrolysis Density functional theory Quantitative structure-activity relationship

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Energetic,bio-oil,biochar,and ash performances of co-pyrolysis-gasification of textile dyeing sludge and Chinese medicine residues in response to K_(2)CO_(3),atmosphere type,blend ratio,and temperature

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Journal of environmental Sciences 2024年第2期136卷 133-150页

作者： Gang Zhang Zhiyun Chen Tao Chen Shaojun Jiang Fatih Evrendilek Shengzheng Huang Xiaojie Tang Ziyi Ding Yao He Wuming Xie Jingyong Liu Engineering research center of None-food Biomass Efficient Pyrolysis and Utilization technology of Guangdong Higher Education Institutes Dongguan University of TechnologyDongguan 523808China School of environmental Science and Engineering Guangdong University of TechnologyGuangzhou 510006China School of Environment The Environmental Research InstituteMOE Key Laboratory of Theoretical Chemistry of EnvironmentSouth China Normal UniversityGuangzhou 510006China Department of environmental Engineering Bolu Abant Izzet Baysal UniversityBolu 14052Turkey

Hazardous waste stream needs to be managed so as not to exceed stock-and rate-limited properties of its recipient *** co-pyrolysis of Chinese medicine residue(CMR)and textile dyeing sludge(TDS)and its bio-oil,biochar,and ash quality and quantity were characterized as a function of the immersion of K_(2)CO_(3),atmosphere type,blend ratio,and *** to the mono-pyrolysis of TDS,its co-pyrolysis performance with CMR(the comprehensive performance index(CPI))significantly improved by 33.9%in the N_(2)atmosphere and 33.2%in the CO_(2)*** impregnation catalyzed the co-pyrolysis at 370℃,reduced its activation energy by 77.3 kJ/mol in the N_(2)atmosphere and 134.6 kJ/mol in the CO_(2)atmosphere,and enriched the degree of coke gasification by 44.25%in the CO_(2)*** impregnation increased the decomposition rate of the co-pyrolysis by weakening the bond energy of fatty side chains and bridge bonds,its catalytic and secondary products,and its bio-oil yield by 66.19%.Its bio-oils mainly contained olefins,aromatic structural substances,and *** immersion of K_(2)CO_(3)improved the aromaticity of the copyrolytic biochars and reduced the contact between K and Si which made it convenient for Mg to react with SiO_(2)to form *** co-pyrolytic biochar surfaces mainly included-OH,-CH_(2),C=C,and *** main phases in the co-pyrolytic ash included Ca_(5)(PO_(4))_(3)(OH),Al_(2)O_(3),and magnesium-silicate.

关键词： Chemical impregnation Catalytic pyrolysis Chinese medicine residue Textile dyeing sludge Co-pyrolysis

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Rapid Energy Exchange between In Situ Formed Bromine Vacancies and CO_(2)Molecules Enhances CO_(2)Photoreduction

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research 2024年第2期2023卷 763-771页

作者： Qin Ren Ye He Hong Wang Yanjuan Sun Fan Dong research center for environmental and Energy Catalysis Institute of Fundamental and Frontier SciencesUniversity of Electronic Science and Technology of ChinaChengdu 611731China School of Resources and Environment University of Electronic Science and Technology of ChinaChengdu 611731China

Photocatalytic reduction of CO_(2)into fuels provides a prospective tactic for regulating the global carbon balance utilizing renewable solar ***,CO_(2)molecules are difficult to activate and reduce due to the thermodynamic stability and chemical *** this work,we develop a novel strategy to promote the adsorption and activation of CO_(2)molecules via the rapid energy exchange between the photoinduced Br vacancies and CO_(2)*** in situ continuous wave-electron paramagnetic resonance(cw-EPR)and pulsed EPR technologies,we observe that the spin-spin relaxation time(T_(2))of BiOBr is decreased by 198 ns during the CO_(2)photoreduction reaction,which is further confirmed by the broadened EPR *** result reveals that there is an energy exchange interaction between in situ formed Br vacancies and CO_(2)molecules,which promotes the formation of high-energy CO_(2)molecules to facilitate the subsequent reduction *** addition,theoretical calculations indicate that the bended CO_(2)adsorption configuration on the surface of BiOBr with Br vacancies caused the decrease of the lowest unoccupied molecular orbital of the CO_(2)molecule,which makes it easier for CO_(2)molecules to acquire electrons and get *** situ diffuse reflectance infrared Fourier transform spectroscopy further shows that the activated CO_(2)molecules are favorably converted to key intermediates of COOH*,resulting in a CO generation rate of 9.1μmol g^(-1)h^(-1)and a selectivity of 100%.This study elucidates the underlying mechanism of CO_(2)activation at active sites and deepens the understanding of CO_(2)photoreduction reaction.

关键词： reaction. adsorption activation

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circRNAs deregulation in exosomes derived from BEAS-2B cells is associated with vascular stiffness induced by PM_(2.5)

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Journal of environmental Sciences 2024年第3期137卷 527-539页

作者： Qingping Liu Yaling Zhang Bin Han Mengruo Wang Huaifang Hu Jie Ning Wentao Hu Meiyu Chen Yaxian Pang Yuanyuan Chen Lei Bao Yujie Niu Rong Zhang Department of Toxicology Hebei Medical UniversityShijiazhuang 050017China State Key Laboratory of Environment health(Incubation) Key Laboratory of Environment and HealthMinistry of EducationKey Laboratory of Environment and Health(Wuhan)Ministry of Environmental ProtectionSchool of Public HealthTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430030China China CDC Key Laboratory of Environment and Population health National Institute of Environmental HealthChinese Center for Disease Control and PreventionBeijing 100021China Occupational health and environmental health Hebei Medical UniversityShijiazhuang 050017China Hebei Key Laboratory of Environment and Human health Hebei Medical UniversityShijiazhuang 050017China

As an environmental pollutant,ambient fine particulate matter (PM_(2.5)) was linked to cardiovascular *** molecular mechanisms underlying PM_(2.5)-induced extrapulmonary disease has not been elucidated *** this study the ambient PM_(2.5)exposure mice model we established was to explore adverse effects of vessel and potential ***-term PM_(2.5)exposure caused reduced lung function and vascular stiffness in *** chronic PM_(2.5)induced migration and epithelial-mesenchymal transition (EMT) phenotype in BEAS-2B *** PM_(2.5)treatment,the circRNAs and mRNAs levels of exosomes released by BEAS-2B cells were detected by competing endogenous RNA (ceRNA) array,which contained 1664 differentially expressed circRNAs (DE-circRNAs) and 308 differentially expressed m RNAs (DE-mRNAs).By bioinformatics analysis on host genes of DE-circRNAs,vascular diseases and some pathways related to vascular diseases including focal adhesion,tight junction and adherens junction were ***,ceRNA network was constructed,and DE-mRNAs in ceRNA network were conducted functional enrichment analysis by Ingenuity Pathway Analysis,which indicated that hsa_circ_0012627,hsa_circ_0053261and hsa_circ_0052810 were related to vascular endothelial ***,it was verified experimentally that Exo^(PM2.5)could induce endothelial dysfunction by increased endothelial permeability and decreased relaxation in *** present study,we investigated in-depth knowledge into the molecule events related to PM_(2.5) toxicity and pathogenesis of vascular diseases.

关键词： Fine particulate matter Vascular stiffness Exosome ceRNA microarray Endothelial dysfunction

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Magnetic methods in studies of new superconducting hydrides in a diamond anvil cell

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National Science Review 2024年第7期11卷 16-18页

作者： Viktor V.Struzhkin Ho-kwang Mao center for High Pressure Science&technology Advanced research

In recent years, we have witnessed great success in discoveries of high-transition-temperature（Tc） hydrides using high-pressure experiments. This has been achieved by creating metallic hydrogen‘alloys’ with other ...

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Performance evaluation of the effect of humic acid on Anammox granular sludge:Apparent morphology,nitrogen removal and microbial community

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Journal of environmental Sciences 2024年第10期144卷 148-158页

作者： Wenhui Huang Peiling Xu Xiang Li Yong Huang Hao Sun Wei Li Mao Zhang Miao Shi Yan Yuan School of environmental Science and Engineering Suzhou University of Science and TechnologySuzhou 215009China Suzhou Hongyu environmental technology Company Limited by Shares Suzhou 215011China Suzhou Tianjun environmental technology Limited Company Suzhou 215011China Jiangsu Collaborative Innovation center of technology and Material of Water Treatment Suzhou University of Science and TechnologySuzhou 215009China

Humic acid(HA)is a typical refractory organicmatter,so it is of great significance to investigate its effect on the performance of Anammox granular *** the dosage ofHA≤50 mg/L,HA promotes the total nitrogen removal rate(NRR)to 1.45 kg/(m^(3)·day).When HA was between 50 and 100 mg/L,the NRR of Anammox was *** this time,the adsorption of HA causes the sludge to gradually turn fromred to brown,but the activities of heme and enzymes showed that its capacitywas not *** HA levels reached 250 mg/L,the NRR dropped to 0.11 kg/(m3·day).Moderate HA levels promoted the release of extracellular polymeric substance(EPS),but excessive HA levels lead to a decrease in EPS *** inhibited Anammox activity,which indirectly hindered the transmission of substrate and accumulated substrate *** HA promoted the increase of heterotrophicmicrobial abundance in Anammox system,the microbial diversity decreased *** the increase of HA concentration,the abundance of Candidatus_Brocadia,the main functional microorganism of Anammox system,decreased gradually,while the abundance of Candidatus_Kuenenia increased gradually.

关键词： Anammox Landfill leachate Humic acid Heme Microbial community Enzyme activity

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Control of electromechanical performance in 3D printing latticestructured BaTiO_(3) piezoelectric ceramics

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Journal of Advanced Ceramics 2024年第7期13卷 987-1001页

作者： Zhujun Jiang Yinghong Sun Jimin Chen Yong Zeng Faculty of Materials and Manufacturing Beijing University of TechnologyBeijing 100124China Beijing Engineering research center of 3D Printing for Digital Medical health Beijing University of TechnologyBeijing 100124China

Barium titanate(BaTiO_(3))piezoelectric ceramics with triply periodic minimal surface(TPMS)structures have been frequently used in filters,engines,artificial bones,and other fields due to their high specific surface area,high thermal stability,and good heat ***,only a limited number of studies have analyzed the effect of various parameters,such as different wall thicknesses and porosities of TPMS structures,on ceramic electromechanical *** this study,we first employed vat photopolymerization(VPP)three-dimensional(3D)printing technology to fabricate high-performance BaTiO_(3) *** investigated the slurry composition design and forming process and designed a stepwise sintering postprocessing technique to achieve a density of 96.3%and a compressive strength of 250±25 MPa,with the piezoelectric coefficient(d_(33))reaching 263 pC/***,we explored the influence of three TPMS structures,namely,diamond,gyroid,and Schwarz P,on the piezoelectric and mechanical properties of BaTiO_(3) ceramics,with the gyroid structure identified as exhibiting optimal ***,we examined the piezoelectric and mechanical properties of BaTiO_(3) ceramics with the gyroid structure of varying wall thicknesses and porosities,thus enabling the modulation of ceramic electromechanical performance.

关键词： three-dimensional(3D)printing piezoelectric ceramics porous structure mechanical properties electrical properties

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Enhanced direct gaseous CO_(2) fixation into higher bio-succinic acid production and selectivity

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Journal of environmental Sciences 2024年第9期143卷 164-175页

作者： Ziyi Yang Wanling Wu Qing Zhao Irini Angelidaki Samuel Gyebi Arhin Dongliang Hua Yuxiao Zhao Hangyu Sun Guangqing Liu Wen Wang Biomass Energy and environmental Engineering research center Beijing University of Chemical TechnologyBeijing 100029China College of Chemical Engineering Beijing University of Chemical TechnologyBeijing 100029China Department of Chemical and Biochemical environmental Engineering Technical University of DenmarkDK-2800Kgs LyngbyDenmark Energy research Institute Qilu University of Technology(Shandong Academy of Sciences)Shandong Provincial Key Laboratory of Biomass Gasification TechnologyJinan 250014China

Utilizing CO_(2)for bio-succinic acid production is an attractive approach to achieve carbon capture and recycling(CCR)with simultaneous production of a useful platform *** succinogenes and Basfia succiniciproducens were selected and investigated as microbial ***,the type and concentration of inorganic carbon concentration and glucose concentration were evaluated.6 g C/L MgCO_(3)and 24 g C/L glucose were found to be the optimal basic operational conditions,with succinic acid production and carbon yield of over 30 g/L and over 40%,***,for maximum gaseous CO_(2)fixation,carbonate was replaced with CO_(2)at different ***“less carbonate more CO_(2)”condition of the inorganic carbon source was set as carbonate:CO_(2)=1:9(based on the mass of carbon).This condition presented the highest availability of CO_(2)by well-balanced chemical reaction equilibrium and phase equilibrium,showing the best performance with regarding CO_(2)fixation(about 15 mg C/(L·hr)),with suppressed lactic acid *** to key enzymes analysis,the ratio of phosphoenolpyruvate carboxykinase to lactic dehydrogenase was enhanced at high ratios of gaseous CO_(2),which could promote glucose conversion through the succinic acid *** further increase gaseous CO_(2)fixation and succinic acid production and selectivity,stepwise CO_(2)addition was evaluated.50%-65%increase in inorganic carbon utilization was obtained coupled with 20%-30%increase in succinic acid *** was due to the promotion of the succinic acid branch of the glucose metabolism,while suppressing the pyruvate branch,along with the inhibition on the conversion from glucose to lactic acid.

关键词： Succinic acid CO_(2) fixation Actinobacillus succinogenes Basfia succiniciproducens Lactic acid

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Optimized the vanadium electrolyte with sulfate-phosphoric mixed acids to enhance the stable operation at high-temperature

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Frontiers of Chemical Science and Engineering 2024年第2期18卷 13-26页

作者： Ling Ge Tao Liu Yimin Zhang Hong Liu School of Resource and environmental Engineering Wuhan University of Science and TechnologyWuhan 430081China State environmental Protection Key Laboratory of Mineral Metallurgical Resources Utilization and Pollution Control Wuhan University of Science and TechnologyWuhan 430081China Hubei Collaborative Innovation center for High Efficient Utilization of Vanadium Resources Wuhan University of Science and TechnologyWuhan 430081China Hubei Provincial Engineering technology research center of High Efficient Cleaning Utilization for Shale Vanadium Resource Wuhan University of Science and TechnologyWuhan 430081China School of Resource and environmental Engineering Wuhan University of TechnologyWuhan 430070China

Herein, the influence of the concentration design and comprehensive performance of the sulfate-phosphoric mixed acid system electrolyte is investigated to realize an electrolyte that maintains high energy density and stable operation at high temperatures. Static stability tests have shown that VOPO4 precipitation occurs only with vanadium(V) electrolyte. The concentration of vanadium ion of 2.0–2.2 mol·L^(–1), phosphoric acid of 0.10–0.15 mol·L^(–1), and sulfuric acid of 2.5–3.0 mol·L^(–1) are suitable for a vanadium redox flow battery in the temperature range from –20 to 50 ℃. The equations for predicting the viscosity and conductivity of electrolytes are obtained by the response surface method. The optimized electrolyte overcomes precipitation generation. It has 2.8 times higher energy density than the non-phosphate electrolyte, and a coulomb efficiency of 94.0% at 50 ℃. The sulfate-phosphoric mixed acid system electrolyte promotes the electrode reaction process, increases the current density, and reduces the resistance. This work systematically optimizes the concentrations of composition of positive and negative vanadium electrolytes with mixed sulfate-phosphoric acid. It provides a basis for the different valence states and comprehensive properties of sulfate-phosphoric mixed acid system vanadium electrolytes under extreme environments, guiding engineering applications.

关键词： all vanadium redox flow battery mixed-acid vanadium electrolyte concentration optimization response surface methodology high-temperature stability

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Design of Resilient Sensor Networks Balancing Resilience and Efficiency

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International Journal of Disaster Risk Science 2024年第1期15卷 107-115页

作者： Sergey N.Vecherin Kiril D.Ratmanski Luke Hogewood Igor Linkov Cold Regions research and Engineering Laboratory Engineering Research and Development CenterHanoverNH 03755USA environmental Laboratory Engineering Research and Development CenterVicksburgMS 39180USA

In recent years,the notion of resilience has been developed and applied in many technical areas,becoming exceptionally pertinent to disaster risk *** a disaster situation,accurate sensing information is the key to efficient recovery *** general,resilience aims to minimize the impact of disruptions to systems through the fast recovery of critical functionality,but resilient design may require redundancy and could increase *** this article,we describe a method based on binary linear programming for sensor network design balancing efficiency with *** application of the developed framework is demonstrated for the case of interior building surveillance utilizing infrared sensors in both twoand three-dimensional *** method provides optimal sensor placement,taking into account critical functionality and a desired level of resilience and considering sensor type and *** problem formulation,resilience requirements,and application of the optimization algorithm are described in *** of sensor locations with and without resilience requirements shows that resilient configuration requires redundancy in number of sensors and their intelligent *** tasks are successfully solved by the described method,which can be applied to strengthen the resilience of sensor networks by *** proposed methodology is suitable for large-scale optimization problems with many sensors and extensive coverage areas.

关键词： Binary linear programming Optimal sensor placement Redundant networks Resilience and efciency Resilient sensor networks

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