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Predicting microbial extracellular electron transfer activity in paddy soils with soil physicochemical properties using machine learning

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Science China(Technological Sciences) 2024年第1期67卷 259-270页

作者： OU JiaJun LUO XiaoShan LIU JunYang HUANG LinYan ZHOU LiHua YUAN Yong School of Automation Guangdong University of TechnologyGuangzhou 510006China Guangdong Key laboratory of Environmental Catalysis and Health Risk Control Guangzhou Key Laboratory Environmental Catalysis and Pollution ControlSchool of Environmental Science and EngineeringInstitute of Environmental Health and Pollution ControlGuangdong University of TechnologyGuangzhou 510006China School of Biomedical and Pharmaceutical Sciences Guangdong University of TechnologyGuangzhou 510006China

Soil extracellular electron transfer(EET)is a pivotal biological process within the realm of ***,EET suffers from a lack of predictive ***,an intricately crafted machine learning model has been developed for the purpose of predicting soil EET by using the physicochemical properties of soil as independent input variables and the EET capabilities in terms of current density(j_(max))and Coulombic charge(C_(out))as dependent output *** autoencoder ensemble stacking(AES)model was developed to address the aforementioned issue by integrating support vector machine,multilayer perceptron,extreme gradient boosting,and light gradient boosting machine algorithms as the stacking *** 10-fold crossvalidation,the AES model exhibited notable improvements in predicting j_(max)and C_(out),with average test R^(2)values of 0.83 and 0.84,respectively,surpassing those of single machine learning(ML)models and the basic ensemble *** utilizing partial correlation plots(PDPs),Shapley Additive explanations(SHAP)values,and SHAP decision plots,we quantitatively explained the impact and contribution of the input molecules on the AES model’s predictions of j_(max)and C_(out).In the context of the SHAP method for the AES model,total carbon(TC)was identified as the most correlated descriptor for j_(max),while total organic carbon(TOC)stood out as the most relevant descriptor for C_(out).In the prediction tasks of j_(max)and C_(out)within the AES model,employing a multitask ML approach allowed the model to benefit from the shared information of input variables,thereby enhancing its overall *** study provides a feasible tool for the prediction of soil EET from soil physiochemical properties and an advanced understanding of the relationship between soil physiochemical properties and EET capability.

关键词： extracellular electron transfer paddy soil machine learning prediction autoencoder ensemble stacking model

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Asymmetric side-chain engineering of organic semiconductor for ultrasensitive gas sensing

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Chinese Chemical Letters 2024年第3期35卷 428-433页

作者： Xiaoying Ma Xiaojuan Dai Lanyi Xiang Jiajun Chang Danfeng Zhi Haozhen Zhao Zhenjie Ni Ye Zou Xike Gao Fengjiao Zhang School of Chemical Sciences University of Chinese Academy of SciencesBeijing 100049China laboratory of Organic Solids Institute of ChemistryChinese Academy of SciencesBeijing 100190China Key laboratory of Synthetic and Self-Assembly Chemistry for Organic Functional Molecules Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China Binzhou Institute of Technology Binzhou 256606China

Molecular structure of organic semiconductor plays a critical role in determining the performance and functionality of organic electronic devices,by optimizing the electrical,optical and physicochemical *** alkyl chains are fundamental units in tailering the solubility and assemblability,among which the asymmetric properties have been reported as key element for controlling the packing motifs and intrinsic charge ***,we expanded the scope of molecular asymmetry dependent sensing features based on a new series of naphthalene diimides(NDI)-based derivatives substituted with a same branching alkyl chain but various linear-shaped alkyl chains(Cn-).A clear molecular stacking change,from head-to-head bilayer to head-to-tail monolayer packing model,is observed based on the features of anisotropic molecular interactions with the change in the chain *** importantly,a unique LUMO level shift of 0.17 eV is validated for NDI-PhC4,providing a record sensitivity up to 150%to 0.01 ppb ammonia,due to the desired molecular reactivity and device amplification *** results indicate that asymmetric side-chain engineering opens a route for breath healthcare.

关键词： Organic thin film transistor Asymmetric side chain Gas sensing Molecular stacking Energy level manipulating

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physicochemical principles of hydrogen metallurgy in blast furnace

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Journal of Iron and Steel Research International 2024年第1期31卷 46-63页

作者： Han-jie Guo School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing100083China Beijing Key laboratory of Special Melting and Preparation of High-End Metal Materials Beijing100083China

Based on the stoichiometric method and the free energy minimization method,an ideal model for the reduction of iron oxides by carbon and hydrogen under blast furnace conditions was established,and the reduction efficiency and theoretical energy consumption of the all-carbon blast furnace and the hydrogen-rich blast furnace were *** results show that after the reduction reaction is completed at the bottom of the blast furnace,the gas produced by reduction at 1600℃still has a certain excessive reduction capacity,which is due to the hydrogen brought in by the hydrogen-rich blast as well as the excess carbon monoxide generated by the reaction of the coke and the oxygen brought in by the *** the process of the gas with excessive reduction capacity rising from the bottom of the blast furnace and gas reduction process,the excessive reduction capacity of the gas gradually decreases with the increase in the dydrogen content in the *** the all-carbon blast furnace,the excess gas reduction capacity is the strongest,and the total energy consumption per ton of iron reduction is the *** shows that,for the current operation mode of the blast furnace,adding hydrogen in the blast furnace cannot reduce the consumption of carbon required for reduction per ton of iron,but rather increases the consumption of carbon.

关键词： Hydrogen metallurgy Excess gas reduction capacity Theoretical energy consumption Hydrogen-rich blast furnace Thermodynamic model Gibbs minimum free energy method

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Electrostatic removal of ultrafine carbon black with square-grooved collecting plates:Insights for capturing black carbon emitted from ships

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Journal of Environmental Sciences 2024年第2期136卷 559-569页

作者： Zhicheng Wu YifanWang Lingyu Shao Hao Zhang Haobo Dai Haidong Fan Chenghang Zheng Xiang Gao State Key Lab of Clean Energy Utilization State Environmental Protection Engineering Center for Coal-Fired Air Pollution ControlZhejiang UniversityHangzhou 310027China Department of Earth and Environmental Sciences University of ManchesterOxford RoadUnited Kingdom Zhejiang Tiandi Environmental Protection Engineering Co. Ltd.Hangzhou 310012China Baima Lake laboratory(Zhejiang Provincial laboratory of Energy and Carbon Neutrality) Hangzhou 310000China

Ships and other mobile pollution sources emitted massive ultrafine and low-resistivity particles containing black carbon(BC),which were harmful to human health and were difficult to capture by conventional electrostatic precipitators(ESPs).In this study,nanoscale carbon black was adopted as simulated particles(SP)with similar physicochemical properties for black carbon emitted from ships(SP-BC)to investigate the feasibility of using an ESP with square-grooved collecting plates for the removal of SP-BC at low *** increased applied voltage significantly improved the total collection of SP-BC whereas may also promote the conversion of relatively larger particle size SP-BC into nano-size below *** outlet number concentration of SP-BC under 27 kV at 130℃was three times that of the *** the reduction of the flow rate could strengthen the capture of SP-BC below20 nm,and under the combined action of low flow rate and maximum applied voltage,the collection efficiency of 20-100 nm SP-BC could exceed 90%.In addition,the escape and capture characteristics of SP-BC under long-term rapping were *** square-grooved collecting plate could effectively restrain the re-entrainment of collected SP-BC generated by rapping,and the nanoscale SP-BC was trapped in the grooves after *** results could provide insights into the profound removal of massive nanoscale black carbon emissions from mobile sources.

关键词： Simulated ship black carbon Electrostatic removal Square-grooved collecting plate Long-term rapping

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Micromechanical interlocking-inspired dendritic porous silicabased multimodal resin composites for the tooth restoration

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Nano Research 2024年第10期17卷 9065-9077页

作者： Hongyan Chen Junjun Wang Shi Yin Ruili Wang Xinquan Jiang Meifang Zhu State Key laboratory for Modification of Chemical Fibers and Polymer Materials College of Material Science and EngineeringDonghua UniversityShanghai 201620China Shanghai Engineering Research Center of Advanced Dental Technology and Materials Shanghai Key Laboratory of StomatologyShanghai Research Institute of StomatologyNational Clinical Research Center for Oral DiseasesShanghai Ninth People’s HospitalCollege of StomatologyShanghai Jiao Tong University School of MedicineShanghai 200011China

Porous silica particles have shown great potential application as reinforcing fillers in the field of dentistry due to their ability to construct the micromechanical interlocking effect at filler-matrix ***,how to accurately regulate the pore structure,especially the pore size,to increase the degree of the micromechanical interlocking and the performance of materials remains a ***,we have proposed a facile self-assembly process to synthesize dendritic porous silica with tunable pore sizes(DPS-x)by adjusting the chain-length of the alcohols in the *** mechanism of nucleation-growth is further put *** results indicate that the pore size of DPS-x indeed affects the mechanical property of composites,where the DPSpen particles with intermediate pore size are chosen as the optimal reinforcing *** bimodal and multimodal filler formulations are further established to address the loading limitation of unimodal DPS-pen(46 wt.%).In virtue of the closepacked structure of identical spheres,the particle sizes of secondary silica embedded into the maximally loaded bimodal D3S7 composite(DPS-pen:Si430=30:70,w/w)are theoretically calculated without *** all formulations,the developed multimodal D3S7+Si178+Si90 filler exhibits superior mechanical properties,the lowest shrinkage,and high polymerization conversion for dental composites,along with satisfied waster sorption and solubility,and good biocompatibility in vitro and in vivo,which are comparable to commercial composite Z350 XT(3M,USA).These DPS-x particles and their multimodal fillers can also be applied to other polymer-based biomaterials.

关键词： porous silica pore size multimodal filler dental composite physicochemical properties biosafety

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Rational design of natural leather-based water evaporator for electricity generation and functional applications

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Journal of Energy Chemistry 2024年第9期96卷 129-144页

作者： Bingyuan Zhang Xiaoyu Guan Qingxin Han Haoxiang Guo Sai Zheng Xuhui Sun Afnan H.El-Gowily Mohammed A.Abosheasha Yanxia Zhu Motoki Ueda Meng An Haojun Fan Yoshihiro Ito College of Bioresources Chemical and Materials Engineering Key Laboratory of Auxiliary Chemistry and Technology for Chemical IndustryMinistry of EducationShaanxi Collaborative Innovation Center of Industrial Auxiliary Chemistry and TechnologyShaanxi University of Science&TechnologyXi'an 710021ShaanxiChina Nano Medical Engineering laboratory RIKEN Cluster for Pioneering Research2-1 HirosawaWako 351-0198SaitamaJapan Key laboratory of Leather Chemistry and Engineering(Sichuan University) Ministry of EducationChengdu 610065SichuanChina College of Mechanical and Electrical Engineering Shaanxi University of Science&TechnologyXi'an 710021ShaanxiChina Biochemistry Division Chemistry DepartmentFaculty of ScienceTanta UniversityTanta 31527Egypt

In recent years,water evaporation-induced electricity has attracted a great deal of attention as an emerging green and renewable energy harvesting *** abundant materials have been developed to fabricate hydrovoltaic devices,the limitations of high costs,inconvenient storage and transport,low environmental benefits,and unadaptable shape have restricted their wide ***,an electricity generator driven by water evaporation has been engineered based on natural biomass leather with inherent properties of good moisture permeability,excellent wettability,physicochemical stability,flexibility,and *** numerous nano/microchannels together with rich oxygen-bearing functional groups,the natural leather-based water evaporator,Leather_(Emblic-NPs-SA/CB),could continuously produce electricity even staying outside,achieving a maximum output voltage of∼3 V with six-series ***,the leather-based water evaporator has enormous potential for use as a flexible self-powered electronic floor and seawater demineralizer due to its sensitive pressure sensing ability as well as its excellent photothermal conversion efficiency(96.3%)and thus fast water evaporation rate(2.65 kg m^(−2)h^(−1)).This work offers a new and functional material for the construction of hydrovoltaic devices to harvest the sustained green energy from water evaporation in arbitrary ambient environments,which shows great promise in their widespread applications.

关键词： Energy conversion Water evaporation-induced electricity Functional leather Flexible self-powered sensor Desalination

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Three-dimensionally ordered macroporous(3DOM) structure promoted the activity and H_(2)O poisoning resistance of Ce Mn/3DOM-TiO_(2) catalyst in NH_(3)-SCR

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Journal of Rare Earths 2024年第3期42卷 523-533,I0004页

作者： Yaqin Hu Shipeng Ding Chenchen Tan Peng Wu Guobo Li Sheng Wang Hongqiang Yang Yaping Zhang Key laboratory of Energy Thermal Conversion and Control of Ministry of Education School of Energy and EnvironmentSoutheast UniversityNanjing210096China State Power Environmental Protection Research Institute Nanjing210031China

NH_(3)-SCR is an effective mean of NOxremoval in the non-electric industry, however, the high activation temperature and poor H_(2)O resistance of SCR catalysts posed a barrier to its application. In this work, a series of three-dimensionally ordered macroporous(3DOM) catalysts were synthesized via a colloidal crystal template(CCT) method, and various characterizations were carried out to explore the physicochemical property of catalysts. The experiment results reveal that Ce_(0.2)Mn_(0.2)/3DOM-TiO_(2) catalyst presents the excellent low-temperature catalytic activity of nearly 100% at 100℃. Furthermore, the enhanced H_(2)O resistance is achieved, certified by the unaffected NO remove at 150℃ in the participation of 15 vol% H_(2)O. The characterizations results exhibit that the improved dispersion of the active component and enhanced redox ability are conducive to the low-temperature catalytic activity. N_(2) adsorption and desorption experiments indicate that catalyst with 3DOM support possesses a larger pore diameter and specific surface area, which may weaken the condensation of H_(2)O in the microporosity of catalysts and improved the H_(2)O resistance of the catalyst. In situ DRIFTS results manifest that Ce_(0.2)Mn_(0.2)/3DOM-TiO_(2) catalyst could not only absorb more NH_(3) and generate more surface-active sites, but inhibit the competitive adsorption between H_(2)O and SCR reactants.

关键词： 3DOM material NH_(3)-SCR H_(2)O resistance Low-temperature Cerium Rare earths

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Structural characteristics of phenylboronic acid-modified astaxanthin ester and its effect on DSS-induced ulcerative colitis by blocking reactive oxygen species and maintaining intestinal homeostasis

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Food Science and Human Wellness 2024年第5期13卷 2754-2764页

作者： Xing Qiao Hongyan Li Qun Gao Zhigao Wang Jie Xu Lu Yang Changhu Xue College of Food Science and Engineering Ocean University of ChinaQingdao 266003China College of Marine Science and Biological Engineering Qingdao University of Science and TechnologyQingdao 266042China laboratory of Marine Drugs and Biological Products Pilot National Laboratory for Marine Science and Technology(Qingdao)Qingdao 266237China

A novel and reactive oxygen species(ROS)responsive astaxanthin phenylboronic acid derivative(AstaDPBA)was constructed by grafting phenylboronic acid(PBA)onto astaxanthin succinate diester(AstaD),and its chemical structure and physicochemical property were ***-PBA could effectively improve the ROS quenching ability in the lipopolysaccharide(LPS)-induced RAW264.7 cell inflammation ***,the bioactivity of AstaD-PBA was studied by 4 zebrafish ROS-responsive infl ammatory models induced by LPS,copper(Cu^(2+)),high-fat diet,and dextran sodium sulfate(DSS).The results suggest that AstaD-PBA might have high biosafety and the best effect on ulcerative colitis(UC)induced by ***,AstaDPBA significantly alleviated and treated weight loss and colonic shrinkage,inhibited infl ammatory cytokines,and maintained microbiota homeostasis to improve UC in C57BL/6J *** and Oscillibacter were expected to be considered UC marker fl ora according to the Metastats analysis and Pearson correlation Mantel test(P<0.01)of 16S rRNA gene sequencing *** conclusion,AstaD-PBA has been promised to be a functional compound to improve UC and maintain intestinal microbiota homeostasis.

关键词： Astaxanthin ester Reactive oxygen species-responsive Ulcerative colitis Intestinal microbiota Inflammatory cytokines

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Structural properties of residual carbon in coal gasification fine slag and their influence on flotation separation and resource utilization:A review

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International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 217-230页

作者： Rui Han Anning Zhou Ningning Zhang Kaiqiang Guo Mengyan Cheng Heng Chen Cuicui Li College of Chemistry and Chemical Engineering Xi’an University of Science and TechnologyXi’an 710054China Key laboratory of Coal Resources Exploration and Comprehensive Utilization Ministry of Natural Resources of ChinaXi’an 710021China

Coal gasification fine slag(FS)is a typical solid waste generated in coal *** current disposal methods of stockpil-ing and landfilling have caused serious soil and ecological *** recovery and the high-value utilization of residual carbon(RC)in FS are the keys to realizing the win-win situation of the coal chemical industry in terms of economic and environmental *** structural properties,such as pore,surface functional group,and microcrystalline structures,of RC in FS(FS-RC)not only affect the flotation recovery efficiency of FS-RC but also form the basis for the high-value utilization of *** this paper,the characteristics of FS-RC in terms of pore structure,surface functional groups,and microcrystalline structure are sorted out in accordance with gasification type and FS particle *** reasons for the formation of the special structural properties of FS-RC are analyzed,and their influence on the flotation separation and high-value utilization of FS-RC is *** methods based on the pore structural characterist-ics of FS-RC,such as ultrasonic pretreatment-pore-blocking flotation and pore breaking-flocculation flotation,are proposed to be the key development technologies for improving FS-RC recovery in the *** design of low-cost,low-dose collectors containing polar bonds based on the surface and microcrystalline structures of FS-RC is proposed to be an important breakthrough point for strengthening the flotation efficiency of FS-RC in the *** high-value utilization of FS should be based on the physicochemical structural proper-ties of FS-RC and should focus on the environmental impact of hazardous elements and the recyclability of chemical waste liquid to es-tablish an environmentally friendly utilization *** review is of great theoretical importance for the comprehensive understand-ing of the unique structural properties of FS-RC,the breakthrough of the technological bottleneck in the e

关键词： coal gasification fine slag residual carbon pore structure surface functional groups microcrystalline structure flotation sep-aration resource utilization

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Small temporal variation in abundance of virioplankton compared to bacterioplankton and phytoplankton in two bays in the northern South China Sea

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Journal of Oceanology and Limnology 2024年第4期42卷 1130-1142页

作者： Jiandong ZHANG Yineng LI Lijuan LONG Sijun HUANG CAS Key laboratory of Tropical Marine Bio-resources and Ecology South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Marine Environmental Engineering Center South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China State Key laboratory of Tropical Oceanography South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Southern Marine Science and Engineering Guangdong laboratory(Guangzhou) Guangzhou 511458China Guangdong Provincial Observation and Research Station for Coastal Upwelling Ecosystem South China Sea Institute of OceanologyChinese Academy of SciencesShantou 515041China

Variations of picoplankton groups were investigated over a one-month period in Daya Bay and Sanya Bay,in the northern South China *** two coastal regions exhibited different variation patterns in physicochemical ***,the diel variations of picoplankton groups were different between the two *** abundance of the picoplankton in Sanya Bay displayed a pronounced diel variation,while it was not significant in Daya *** addition,some similar patterns of picoplankton abundance were *** the two bays,virioplankton exhibited the smallest fluctuation range,whereas picocyanobacteria fluctuated most *** fluctuation range of picoplankton groups was larger in spring tide than in neap tide,especially in Sanya *** forest model analysis demonstrated that the variation of picoplankton groups was attributed to physical and chemical factors in Sanya Bay and Daya Bay,***,our findings suggest that virioplankton abundance can persist more stably in response to changing environmental conditions compared to bacterioplankton and picophytoplankton.

关键词： diel variation abundance picoplankton group virioplankton picocyanobacteria

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