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Atmospheric fate of typical liquid crystal monomers in the tropospheric gas,liquid,and granular phases

Journal of Environmental Sciences 2024年第2期136卷 348-360页

作者： Yanru huo Zexiu An mingxue Li Jinchan Jiang Yuxin Zhou Ju Xie Jianguo Zhang Maoxia He Environment Research Institute Shandong UniversityQingdao 266237China College of Plant Protection Hebei Agricultural UniversityBaoding 071000China School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225002China Jinan Environmental Research Academy Jinan 250000China

Mineral aerosol particles significantly impact environmental risk prediction of liquid crystal monomers(LCMs).In this work,we investigated the reaction mechanisms and kinetics of three typical LCMs(4-cyano-3,5-difluorophenyl 4-ethylbenzoate(CEB-2F),4-cyano-3-fluorophenyl 4-ethylbenzoate(CEB-F),and 4-cyanophenyl 4-ethylbenzoate(CEB))with ozone(O_(3))in the atmospheric gas,liquid,and particle phases employing density functional theory(DFT).Here,O_(3)is prone to add to the benzene ring without F atom(s)in the selected LCMs.The ozonolysis products are aldehydes,carboxylic acids,epoxides,and unsaturated hydrocarbons containing aromatic rings.Those products undergo secondary ozonolysis to generate small molecular compounds such as glyoxal,which is beneficial for generating secondary organic aerosol(SOA).Titanium dioxide(TiO_(2)),an essential component of mineral aerosol particles,has good adsorption properties for LCMs;however,it slightly reduces the reactivity with O_(3).At 298 K,the reaction rate constant of the selected LCMs reacting with O_(3)in the gas and atmospheric liquid phases is(2.74–5.53)×10^(-24)cm^(3)/(mol·sec)and 5.58×10^(-3)–39.1 L/(mol·sec),while CEB-2F reacting with O_(3)on(TiO_(2))_(6)cluster is 1.84×10^(-24)cm^(3)/(mol·sec).The existence of TiO_(2)clusters increases the persistence and long-distance transportability of LCMs,which enlarges the contaminated area of LCMs.

关键词： Liquid crystal monomers(LCMs) Ozonolysis TiO_(2)clusters Adsorption Toxicity assessment

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High performance photodegradation resistant PVA@TiO_(2)/carboxyl-PES self-healing reactive ultrafiltration membrane

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Chinese Journal of Chemical Engineering 2024年第2期66卷 31-39页

作者： Yu Liang Yuanfang Fan Zhongmin Su Mingxin huo Xia Yang Hongliang huo Chi Wang Zhi Geng College of Environment Engineering Research Center of Low-Carbon Treatment and Green Development of Polluted Water in Northeast ChinaMinistry of EducationNortheast Normal UniversityChangchun 130117China School of Science Hainan UniversityHaikou 570225China

The occurrence of ultrafiltration(UF)membrane fouling frequently hampers the sustainable advancement of UF technology.Reactive self-cleaning UF membranes can effectively alleviate the problem of membrane fouling.Nevertheless,the self-cleaning process may accelerate membrane aging.Addressing these concerns,we present an innovative design concept for composite self-healing materials based on self-cleaning UF membranes.To begin,TiO_(2)nanoparticles were incorporated into the polymer molecular structure via molecular design,resulting in the synthesis of TiO_(2)/carboxyl-polyether sulfone(PES)hybrid materials.Subsequently,the nonsolvent-induced phase inversion technique was employed to prepare a novel of UF membrane.Lastly,a polyvinyl alcohol(PVA)hydrogel coating was applied to the hybrid UF membrane surface to create PVA@TiO_(2)/carboxyl-PES self-healing reactive UF membranes.By establishing a covalent bond,the TiO_(2)nanoparticles were effectively and uniformly dispersed within the UF membrane,leading to exceptional self-cleaning properties.Furthermore,the water-absorbing and swelling properties of PVA hydrogel,along with its capacity to form hydrogen bonds with water molecules,resulted in UF membranes with improved hydrophilicity and active self-healing abilities.The results demonstrated that the water contact angle of PVA@5%TiO_(2)/carboxyl-PES UF membrane was 43.1°.Following a 1-h exposure to simulated solar exposure,the water flux recovery ratio increased from 48.16%to 81.03%.Moreover,even after undergoing five cycles of 12-h simulated sunlight exposure,the UF membranes exhibited a consistent retention rate of over 97%,thus fully demonstrating their exceptional self-cleaning,antifouling,and selfhealing capabilities.We anticipate that the self-healing reactive UF membrane system will serve as a pioneering and comprehensive solution for the self-cleaning antifouling challenges encountered in UF membranes while also effectively mitigating the aging effects of reactive UF membranes.

关键词： Ultrafiltration membrane Self-cleaning Self-healing Poly(aryl ether sulfone)

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Diversity and ecological assembly process of aerobic anoxygenic phototrophic bacteria in a low irradiation area,Three Gorges Reservoir

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Journal of Environmental Sciences 2024年第9期143卷 116-125页

作者： Lixin huo Anran Ma Hong Liu Xingzu Wang Cheng Song Chongqing Institute of Green and Intelligent Technology Chinese Academy of SciencesChongqing 400714China Chongqing School University of Chinese Academy of SciencesCollege of Resources and EnvironmentChongqing 400714China Key Laboratory of Reservoir Aquatic Environment Chinese Academy of SciencesChongqing 400714China University of Chinese Academy of Sciences Beijing 100049China

Aerobic anoxygenic phototrophic bacteria(AAPB)are significant bacterial groups in aquatic ecosystems,known for their rapid growth and photoheterotrophic characteristics.However,the distribution and ecological assembly process of AAPB in low irradiation freshwater basins remain unclear,warranting further investigation.In this study,we present the diversity,abundance,spatial variations,ecological process,and community interaction of AAPB in sediment of Three Gorges Reservoir(TGR)under low irradiation.Our findings demonstrate the dominant genera of AAPB community that exist in the TGR area also are appeared in different waters,with some regional preference.Moreover,the concentration of pufM gene,an indicator for AAPB,maintains a consistently high numerical level ranging from(2.21±0.44)×10^(4)to(9.98±0.30)×10^(7)gene copies/g.Although solar irradiation is suggested as the major factor affecting AAPB,it remains unclear whether and how AAPB differ between regions due to varying solar irradiation levels.Our results show spatial differences between total bacteria and AAPB communities,with significant differences observed only in AAPB.Geographical and environmental factor contributed less than 10%to the spatial difference of community,with sediment type and environmental factors being the key factors influencing microbial community structure.The stochastic process plays a dominant role in the aggregation and replacement of AAPB communities,among which the most contribution is dispersal limitation.For AAPB network,Yoonia and Gemmobacter are the hubs for modules.Those results valuable insights into the AAPB communities in TGR with low irradiation.

关键词： Three Gorges Reservoir(TGR) Aerobic anoxygenic phototrophic bacteria(AAPB) Bacterial community Null model Community assembly

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Enhancing lithium-sulfur battery performance with In_(2)O_(3)-In_(2)S_(3)@NSC heterostructures:Synergistic effects of double barrier and catalytic transformation

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Journal of Materials Science & Technology 2024年第2期169卷 105-114页

作者： Deqing He Chunyu Zhu Yutao huo Zhonghao Rao School of Energy and Environmental Engineering Hebei University of TechnologyTianjin 300401China Hebei Key Laboratory of Thermal Science and Energy Clean Utilization Hebei University of TechnologyTianjin 300401China School of Low-carbon Energy and Power Engineering China University of Mining and TechnologyXuzhou 221116China

The sluggish redox reaction kinetics of lithium polysulfides(LiPSs)are considered the main obstacle to the commercial application of lithium-sulfur(Li-S)batteries.To accelerate the conversion by catalysis and inhibit the shuttling of soluble LiPSs in Li-S batteries,a solution is proposed in this study.The solution involves fabrication of N,S co-doped carbon coated In_(2)O_(3)/In_(2)S_(3)heterostructure(In_(2)O_(3)-In_(2)S_(3)@NSC)as a multifunctional host material for the cathode.The In_(2)O_(3)-In_(2)S_(3)@NSC composite can reduce the Gibbs free energy for the conversion reactions of LiPSs,which results in superior performance.The synergy between different components in In_(2)O_(3)-In_(2)S_(3)@NSC and the unique 3D structure facilitate ion and electron transport in Li-S batteries.The In_(2)O_(3)-In_(2)S_(3)@NSC/Li 2 S 6 cathode exhibits excellent rate capacity,with a capacity of 599 mAh g−1 at 5.5 C,and good cycle stability,with a capacity of 436 mAh g^(−1)after 1000 cycles at 1 C.Overall,this study proposes a promising solution to improve the energy storage properties of Li-S batteries,which could potentially facilitate the commercialization of Li-S batteries.

关键词： Li-S battery Multifunctional host material Synergy Heterostructures Energy storage properties

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Robust Interval State Estimation for Distribution Systems Considering Pseudo-measurement Interval Prediction

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Journal of Modern Power Systems and Clean Energy 2024年第1期12卷 179-188页

作者： Xu Zhang Wei Yan Meiqing huo Hui Li the School of Electrical Engineering Chongqing UniversityChongqing 400044China

Interval state estimation(ISE)can estimate state intervals of power systems according to confidence intervals of predicted pseudo-measurements,thereby analyzing the impact of uncertain pseudo-measurements on states.However,predicted pseudo-measurements have prediction errors,and their confidence intervals do not necessarily contain the truth values,leading to estimation biases of the ISE.To solve this problem,this paper proposes a pseudo-measurement interval prediction framework based on the Gaussian process regression(GPR)model,thereby improving the prediction accuracy of pseudo-measurement confidence intervals.Besides,a weight assignment strategy for improving the robustness of weighted least squares(WLS)ISE is proposed.This strategy quantifies the deviation between the pseudo-measurement intervals and their estimated intervals and assigns smaller weights to the pseudo-measurement intervals with larger deviations,thereby improving the estimation accuracy and robustness of the ISE.This paper adopts the data from the supervisory control and data acquisition(SCADA)system of the New York Independent System Operator(NYISO).It verifies the advantages of the GPR method for pseudo-measurement interval prediction by comparing it with the quantile regression and neural network methods.In addition,this paper demonstrates the effectiveness of the proposed weight assignment strategy through the IEEE 14-bus case.Finally,the differences in the estimation accuracy and the bad data identification between the robust interval state estimation and deterministic state estimation are discussed.

关键词： Interval state estimation interval analysis pseudo-measurement Gaussian process regression(GPR)

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Synergistic silver-mediated and palladium-catalyzed nondirected olefination of aryl C–H bond: quick access to multi-substituted aryl olefins

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Science China Chemistry 2024年第3期67卷 882-889页

作者： Jian Yao Lili Shao Xiaohong huo Xiaoming Wang Shanghai Key Laboratory for Molecular Engineering of Chiral Drugs Frontiers Science Center for Transformative MoleculesSchool of Chemistry and Chemical EngineeringShanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory of Organometallic Chemistry Center for Excellence in Molecular SynthesisShanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 20032China School of Chemistry and Materials Science Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310024China

Transition metal-catalyzed olefination of aryl C-H bond is a powerful tool for the synthesis of alkenes. While the Pd-catalyzed oxidative C-H olefination of arenes, also known as Fujiwara-Moritani reaction, has been established as one of the most efficient methods, the substrates are largely limited to terminal olefins with electron-withdrawing group(s). Herein, we report a synergistic silver-mediated and palladium-catalyzed non-directed C-H olefination of arenes with vinyl(pseudo)halides, which offers a complementary strategy to the typical Fujiwara-Moritani reaction. The reactions proceeded well for a variety of halogenated arenes, heteroarenes, and olefin substrates, providing an efficient access to various multi-substituted aryl olefins, including trisubstituted/tetrasubstituted olefins and several complex olefins derived from medicines or natural products. Mechanistic studies indicated a bimetallic Pd/Ag cooperation is operative in the catalysis, i.e., the reaction is initiated by aryl C-H bond cleavage via ligation with phosphine/Ag species, followed by transferring of the aryl moiety to a vinyl palladium intermediate,which is in turn formed by oxidative addition of vinyl(pseudo)halide to a Pd complex. This method enables the synthesis of a wide range of challenging multi-substituted vinyl products from simple arenes(directing-group free) in a streamlined and controllable fashion.

关键词： direct C–H olefination multi-substituted aryl alkenes bimetallic Pd/Ag cooperation C–H functionalization

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Rotor Angle Stability Prediction Using Temporal and Topological Embedding Deep Neural Network Based on Grid-informed Adjacency Matrix

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Journal of Modern Power Systems and Clean Energy 2024年第3期12卷 695-706页

作者： Peiyuan Sun Long huo Xin Chen Siyuan Liang the School of Electrical Engineering Xi'an Jiaotong University the School of Electrical Engineering and the Center of Nanomaterials for Renewable Energy State Key Laboratory of Electrical Insulation and Power Equipment Xi'an Jiaotong University the Department of Computer Science and Engineering The Chinese University of Hong Kong

Rotor angle stability(RAS) prediction is critically essential for maintaining normal operation of the interconnected synchronous machines in power systems. The wide deployment of phasor measurement units(PMUs) promotes the development of data-driven methods for RAS prediction. This paper proposes a temporal and topological embedding deep neural network(TTEDNN) model to accurately and efficiently predict RAS by extracting the temporal and topological features from the PMU data. The grid-informed adjacency matrix incorporates the structural and electrical parameter information of the power grid. Both the small-signal RAS with disturbance under initial operating conditions and the transient RAS with short circuits on transmission lines are considered. Case studies of the IEEE 39-bus and IEEE 300-bus power systems are used to test the performance, scalability, and robustness against measurement uncertainties of the TTEDNN model. Results show that the TTEDNN model performs best among existing deep learning models. Furthermore, the superior transfer learning ability from small-signal RAS conditions to transient RAS conditions has been proved.

关键词： Power system stability Phasor measurement units Rotors Transient analysis Stability criteria Deep learning Circuit stability

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Applying Machine Learning Approach to Explore Childhood Circumstances and Self-Rated Health in Old Age-China and the US,2020-2021

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China CDC weekly 2024年第11期6卷 213-218,I0008-I0013页

作者： Shutong huo Derek Feng Thomas M.Gill Xi Chen Department of Health Society&BehaviorPublic HealthUniversity of CaliforniaIrvineCAUSA Department of Statistics and Data Science Yale UniversityNew HavenCTUS Department of Internal Medicine Yale School of MedicineNew HavenCTUS Department of Health Policy and Management Yale School of Public HealthNew HavenCTUS Department of Economics Yale UniversityNew HavenCTUS.

Introduction:Childhood circumstances impact senior health,prompting the introduction of machine learning methods to assess their individual and collective contributions to senior health.Methods:Using health and retirement study(HRS)and China Health and Retirement Longitudinal Study(CHARLS),we analyzed 2,434 American and 5,612 Chinese participants aged 60 and above.Conditional inference trees and forests were employed to estimate the influence of childhood circumstances on self-rated health(SRH).Results:The conventional method estimated higher inequality of opportunity(IOP)values in both China(0.039,accounting for 22.67%of the total Gini coefficient 0.172)and the US(0.067,accounting for 35.08%of the total Gini coefficient 0.191).In contrast,the conditional inference tree yielded lower estimates(China:0.022,accounting for 12.79%of 0.172;US:0.044,accounting for 23.04%of 0.191),as did the forest(China:0.035,accounting for 20.35%of 0.172;US:0.054,accounting for 28.27%of 0.191).Childhood health,financial status,and regional differences were key determinants of senior health.The conditional inference forest consistently outperformed others in predictive accuracy,as demonstrated by lower out-of-sample mean squared error(MSE).Discussion:The findings emphasize the need for early-life interventions to promote health equity in aging populations.Machine learning showcases the potential in identifying contributing factors.

关键词： collective inequality estimates

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Colloid-facilitated release of polybrominated diphenyl ethers at an e-waste recycling site: evidence from undisturbed soil core leaching experiments

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Frontiers of Environmental Science & Engineering 2024年第2期18卷 91-101页

作者： Zebin huo Mengjun Xi Lianrui Xu Chuanjia Jiang Wei Chen College of Environmental Science and Engineering Ministry of Education Key Laboratory of Pollution Processes and Environmental CriteriaTianjin Key Laboratory of Environmental Remediation and Pollution ControlNankai UniversityTianjin 300350China

Polybrominated diphenyl ethers (PBDEs), a class of persistent organic pollutants, have been frequently detected in soil at e-waste recycling sites. However, the key factors controlling the transport of PBDEs from surface soil to the vadose zone and groundwater are unclear. Here, colloid-enhanced leaching of PBDEs from undisturbed soil cores collected at an e-waste recycling site in Tianjin, China, is reported. Spatially heterogeneous release of colloids and PBDEs was observed in all the tested soil cores under chemical and hydrodynamic perturbations, indicating the presence of preferential flow paths. Colloid concentration in the effluent significantly increased as ionic strength decreased (from 10 to 0.01 mmol/L), probably due to the stronger electrostatic repulsion between colloidal particles and the soil matrix at lower ionic strength. In contrast, colloid mobilization was not significantly affected by the changes in pH of the influent (from 4.0 to 10.0) and flow rate (from a Darcy velocity of 1.5 to 6.0 cm/h). The concentrations of 2,2′,3,3′,4,4′,5,5′,6,6′-decabromodiphenyl ether (BDE-209), the predominant PBDE congener at the site, detected in the leachate (ranging from 1.09 to 3.43 ng/L) were much lower than previously reported results from packed column leaching tests, and were positively correlated with colloid concentrations. This indicates that remobilization of colloids at e-waste recycling sites can promote the leaching and downward migration of PBDEs from surface soil. The findings highlight the potential risk of surface soil PBDE contamination to groundwater quality and call for further understanding of colloid-facilitated transport for predicting the fate of PBDEs at e-waste recycling sites.

关键词： Polybrominated diphenyl ether Colloid-facilitated transport E-waste recycling site Undisturbed soil core Groundwater quality

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Optical properties of NaY（MoO4）2:Eu3+ nanophosphors prepared by molten salt method

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Journal of Rare Earths 2019年第12期37卷 1261-1268页

作者： Lin Bai Qingyu Meng mingxue huo Yu Sui Department of Physics Harbin Institute of TechnologyHarbin 150001China School of Physics and Electronic Engineering Harbin Normal UniversityHarbin 150025China Research Center of Basic Space Science Harbin Institute of TechnologyHarbin 150001China

We synthesized NaY(MoO4)2:Eu3+phosphors of different doping concentrations by a molten salt method.This facile way possesses advantages such as simple process,lower calcination temperature(350℃)and small particle size(70 nm).The crystal system is tetragonal phase and crystal lattice is body centered.The photo luminescence measurements including emission spectra,excitation spectra and fluorescence decay curves were carried out,elucidating that NaY(MoO4)2:Eu3+can be effectively excited by near UV and blue light.Moreover,it can be concluded that Eu3+energy transfer type is exchange interaction.Huang-Rhys factor and the critical energy transfer distance(Rc)were calculated to be 0.043 and 0.995 nm,respectively.Auzel’s model was used to obtain the intrinsic radiative transition lifetime of5 D0 level(τ0=0.923 ms).Furthermore,a calculation method was used to calculate refractive index n of nontransparent NaY(MoO4)2:1 mol%Eu3+phosphor,and n was obtained to be 1.86.

关键词： Energy transfer Red phosphors Eu^3+ Molybdates Rare earths

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