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Environment & Health 2024年第4期2卷 202-211页

作者： Xing-Xing Shi Zhi-Zheng Wang Yu-Liang Wang Fan Wang Guang-Fu Yang National Key Laboratory of green Pesticide Central China Normal UniversityWuhan 430079China

The widespread use of chemical products inevitably brings many side effects as environmental *** assessment of compounds to aquatic life plays an important role in protecting the environment from their ***,in vivo animal testing approaches for aquatic toxicity evaluation are timeconsuming,expensive,and ethically limited,especially when there are a great number of *** silico modeling methods can effectively improve the toxicity evaluation efficiency and save ***,we present a web-based server,AquaticTox,which incorporates a series of ensemble models to predict acute toxicity of organic compounds in aquatic organisms,covering Oncorhynchus mykiss,Pimephales promelas,Daphnia magna,Pseudokirchneriella subcapitata,and Tetrahymena *** predictive models are built through ensemble learning algorithms based on six base *** ensemble models outperform all corresponding single models,achieving area under the curve(AUC)scores of 0.75−*** to the best single models,the average precisions of the ensemble models have been increased by 12−22%.Additionally,a self-built knowledge base of the structure-aquatic toxic mode of action(MOA)relationship was integrated into AquaticTox for toxicity mechanism ***,the user-friendly tool(https://***/ccb/server/AquaticTox);could facilitate the identification of aquatic toxic chemicals and the design of green molecules.

关键词： ecotoxicity aquatic toxicity water environment protection toxicity prediction structure−toxicity relationship deep learning

Long‐life lithium batteries enabled by a pseudo‐oversaturated electrolyte

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Carbon Energy 2024年第4期6卷 115-127页

作者： Youchun Yu Simeng Wang Juyan Zhang Weiwei Qian Nana Zhang Guangjie Shao Haiyan Bian Yuwen Liu Lan Zhang Hebei Key Laboratory of Applied Chemistry College of Environmental and Chemical EngineeringYanshan UniversityQinhuangdaoChina Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijingChina Haike Group Research institute of Innovation&Technology DongyingChina Langfang green Industrial Technology Center LangfangChina

The specific energy of Li metal batteries(LMBs)can be improved by using high‐voltage cathode materials;however,achieving long‐term stable cycling performance in the corresponding system is particularly challenging for the liquid ***,a novel pseudo‐oversaturated electrolyte(POSE)is prepared by introducing 1,1,2,2‐tetrafluoroethyl‐2,2,3,3‐tetrafluoropropyl ether(TTE)to adjust the coordination structure between diglyme(G2)and lithium bis(trifluoromethanesulfonyl)imide(LiTFSI).Surprisingly,although TTE shows little solubility to LiTFSI,the molar ratio between LiTFSI and G2 in the POSE can be increased to 1:1,which is much higher than that of the saturation state,1:*** and experimental results prove that TTE promotes closer contact of the G2 molecular with Li^(+)in the ***,it also participates in the formation of electrolyte/electrode *** electrolyte shows outstanding compatibility with both the Li metal anode and typical high‐voltage ***||Li symmetric cells show a long life of more than 2000 h at 1 mA cm^(−2),1 mAh cm^(−2).In the meantime,Li||LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)cell with the POSE shows a high reversible capacity of 134.8 mAh g^(−1 )after 900 cycles at 4.5 V,1 C *** concept of POSE can provide new insight into the Li^(+)solvation structure and in the design of advanced electrolytes for LMBs.

关键词： high voltage lithium metal batteries pseudo‐oversaturated electrolyte solid electrolyte interphases(SEI) solvation structure

Coupling of reduced inorganic fertilizer with plant-based organic fertilizer as a promising fertilizer management strategy for colored rice in tropical regions

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Journal of Integrative Agriculture 2024年第1期23卷 93-107页

作者： Tingcheng Zhao Aibin He Mohammad Nauman Khan Qi Yin Shaokun Song Lixiao Nie Research Center for Physiology and Ecology and green Cultivation of Tropical Crops School of Breeding and Multiplication(Sanya Institute of Breeding and Multiplication)Hainan UniversitySanya 572000China

Colored rice is a type of high-quality,high-added-value rice that has attracted increasing attention in recent *** use of large amounts of inorganic nitrogen fertilizer in rice fields results in low fertilizer use efficiency and high environmental *** fertilizer is a promising way to improve soil quality and sustain high ***,most studies focus on the effect of animal-based organic *** effects of different ratios of plantbased organic fertilizer and inorganic fertilizer on the grain yield and quality of colored rice have rarely been ***,a two-year field experiment was conducted in 2020 and 2021 to study the effects of replacing inorganic N fertilizers with plant-based organic fertilizers on the yield,nitrogen use efficiency(NUE),and anthocyanin content of two colored rice varieties in a tropical region in *** experimental treatments included no nitrogen fertilization(T1),100% inorganic nitrogen fertilizer(T2),30%inorganic nitrogen fertilizer substitution with plant-based organic fertilizer(T3),60%inorganic nitrogen fertilizer substitution with plant-based organic fertilizer(T4),and 100% plantbased organic fertilizer(T5).The total nitrogen provided to all the treatments except T1 was the same at 120 kg *** results showed that the T3 treatment enhanced the grain yield and anthocyanin content of colored rice by increasing nitrogen use efficiency compared with *** average,grain yields were increased by 9 and 8%,while the anthocyanin content increased by 16 and 10% in the two colored rice varieties under T3 across the two years,respectively,as compared with *** study of the residual effect of partial substitution of inorganic fertilizers showed that the substitution of inorganic fertilizer with plant-based organic fertilizer improved the soil physiochemical properties,and thus increased the rice grain yield,in the subsequent *** highest grain yield of the subsequent rice crop was observe

关键词： colored rice organic fertilizer soil quality grain yield anthocyanin

Tetraethylenepentamine-functionalized magnetic mesoporous composites as a novel adsorbent for the removal Cr(Ⅲ)-ethylenediaminetetraacetic acid in complex solution

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Chinese Journal of Chemical Engineering 2024年第4期68卷 16-26页

作者： Zhi Hu Jiahong Wang Tongtong Sun School of Environmental Science and Engineering Shaanxi University of Science&TechnologyXi'an 710021China Shaanxi Key Laboratory of green Preparation and Functionalization of Inorganic Materials Xi'an 710021China

A novel tetraethylenepentamine(TEPA) functionalized magnetic mesoporous silica adsorbent(FNMs/TEPA) was prepared for the adsorption of Cr(Ⅲ)-ethylenediaminetetraacetic acid(EDTA)from wastewater. The characterization of the prepared adsorbent certified that TEPA was modified onto the magnetic mesoporous silicon(FNMs), while FNMs/TEPA maintained the ordered mesoporous and pristine magnetic properties. The batch adsorption experiments demonstrated that TEPA significantly enhanced the removal capacity of the adsorbent for Cr(Ⅲ)-EDTA. FNMs/TEPA exhibited an excellent adsorption property(13.84 mg·g-1) at p H 4.0. Even in the presence of high concentrations of coexisting ions and organic acids, the adsorption performance of FNMs/TEPA was stable. Experimental characterization and DFT demonstrated that the adsorption of Cr(Ⅲ)-EDTA was ascribed to the electrostatic interaction, hydrogen bonding, and complexation between Cr(Ⅲ)-EDTA and amino groups on the adsorbent surface. The analysis of the independent gradient model(IGM) shows that electrostatic interaction is the main mode of action in the adsorption process. Moreover, FNMs/TEPA demonstrated remarkable reusability in three regeneration cycles. These findings indicated that FNMs/TEPA possessed excellent application prospects in the disposal of wastewater containing Cr(Ⅲ)-EDTA.

关键词： TEPA functionalized magnetic mesoporous silicon Adsorption Cr(III)-EDTA Density functional theory calculations

Emerging interactively stretchable electronics with optical and electrical dual-signal feedbacks based on structural color materials

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Nano Research 2024年第3期17卷 1837-1855页

作者： Jialin Wang Kai Zhao Changqing Ye Yanlin Song School of Materials Science and Engineering Suzhou University of Science and TechnologySuzhou 215009China Key Laboratory of green Printing Institute of ChemistryChinese Academy of SciencesBeijing 100190China

The booming development of wearable devices has aroused increasing interests in flexible and stretchable *** mechanosensory functionality,these devices are highly desirable on account of their wide range of applications in electronic skin,personal healthcare,human–machine interfaces and ***,they are mostly limited by single electrical signal feedback,restricting their diverse applications in visualized mechanical *** by the mechanochromism of structural color materials,interactively stretchable electronics with optical and electrical dual-signal feedbacks are recently emerged as novel sensory platforms,by combining both of their sensing mechanisms and ***,recent studies on interactively stretchable electronics based on structural color materials are *** a brief introduction of their basic components(i.e.,stretchable electronics and mechanochromic structural color materials),two types of interactively stretchable electronics with respect to the nanostructures of mechanochromic materials are outlined,focusing primarily on their design considerations and fabrication ***,the main challenges and future perspectives of these emerging devices are discussed.

关键词： stretchable electronics structural color materials interactive sensing mechanochromism dual-signal feedbacks

Recent advances in photoelectrochemistry-coupled dual-modal biosensors:From constructions to biosensing applications

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Nano Research 2024年第6期17卷 5512-5528页

作者： Yuxiang Dong Weisa Wang Changqing Ye Yanlin Song School of Materials Science and Engineering Suzhou University of Science and TechnologySuzhou 215009China Key Laboratory of green Printing Institute of ChemistryChinese Academy of SciencesBeijing 100190Chin

Precise and sensitive bioanalysis has been the major and urgent pursuit in pathologic diagnosis,food safety,environment monitoring,and drug ***(PEC)bioanalysis,as one of the most promising detection technologies,has rapidly expanded within the field of ***,most of reported PEC analysis approaches still suffer from weak external anti-interference ability,high background,and the risk of false positive or negative errors due to their inherent single-signal *** overcome these shortcomings,new PEC-coupled dual-modal analysis approaches have been developed,where a dual-response signal can be derived through two completely different mechanisms and independent signal transduction *** review introduces the basic principles of PEC biosensing and enumerates and classifies the substrate or probe selections,constructions,and applications of PEC-coupled dual-modal ***,the challenges and developmental prospects of PEC-coupled dual-mode sensing technologies are evaluated and *** hope that this review will provide valuable insights into the latest advancements and practical applications of dual-mode PEC bioanalysis,which will be of great interest to those seeking to stay informed in this field.

关键词： photoelectrochemistry biosensor electrochemistry colorimetry electrochemiluminescence fluorescence dual-mode detection

Performance and Application of Double-layered Microcapsule Corrosion Inhibitors

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Journal of Wuhan University of Technology(Materials Science) 2024年第4期39卷 845-853页

作者：余海燕 WANG Yingxiang WANG Ruizhi HU Lintong WANG Tianlei School of Materials Science and Engineering Tianjin Chengjian UniversityTianjin 300384China Tianjin Key Laboratory of Building green Functional Materials Tianjin Chengjian UniversityTianjin 300384China

Double-layered microcapsule corrosion inhibitors were developed by sodium monofluorophosphate as the core material,polymethyl methacrylate as the inner wall material,and polyvinyl alcohol as the outer wall material combining the solvent evaporation method and spray drying *** protection by the outer capsule wall was used to prolong the service life of the corrosion *** dispersion,encapsulation,thermal stability of microcapsules,and the degradation rate of capsule wall in concrete pore solution were analyzed by ultra-deep field microscopy,scanning electron microscopy,thermal analyzer,and sodium ion release rate *** microcapsules were incorporated into mortar samples containing steel reinforcement,and the effects of double-layered microcapsule corrosion inhibitors on the performance of the cement matrix and the actual corrosion-inhibiting effect were *** experimental results show that the double-layered microcapsules have a moderate particle size and uniform distribution,and the capsules were completely *** microcapsules as a whole have good thermal stability below 230 ℃.The monolayer membrane structure microcapsules completely broke within 1 day in the simulated concrete pore solution,and the double-layer membrane structure prolonged the service life of the microcapsules to 80 days in the simulated concrete pore solution before the core material was completely *** mortar samples containing steel reinforcement incorporated with the double-layered microcapsule corrosion inhibitors still maintained a higher corrosion potential than the monolayer microcapsule corrosion inhibitors control group at 60 *** incorporation of double-layered microcapsules into the cement matrix has no significant adverse effect on the setting time and early strength.

关键词： corrosion inhibitors microcapsule double-layer structure potentiodynamic polarization curve

Mn-modified nitrogen-doped Pt-based electrocatalyst for efficient oxygen reduction in aluminum-air batteries

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Nano Research 2024年第8期17卷 7126-7135页

作者： Li Gao Yang Song Xuebing Xu Chang Li Chaoquan Hu State Key Laboratory of Mesoscience and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Zhongke Nanjing institute of green Manufacturing Industry Nanjing 211135China

In this study,a Mn-modified Pt-based catalyst loaded on nitrogen-doped Ketjen black(Mn-Pt/NKB)is prepared using a simple ethylene glycol reduction *** size of Pt nanoparticles(NPs)is effectively controlled by doping with Mn and *** the smallest average particle size of 1.7 nm,Mn-Pt/NKB demonstrates half-wave potentials of 0.890 and 0.688 V in the alkaline and neutral electrolytes,respectively,which are superior to those of commercial platinum on activated carbon(Pt/C).When applied as an air cathode in aluminum-air battery,it exhibits ultra-high power densities of 190(alkaline)and 26.2 mW·cm^(−2)(neutral).Moreover,the voltage remains stable after 5 h of *** practical application performance of the Mn-Pt/NKB catalyst in an aluminum-air battery is better than that of commercial Pt/***,the oxygen reduction reaction(ORR)mechanism on surfaces with different particle sizes is analyzed using density functional *** cracking is the major pathway on the surface of the small particles with lower energy consumption of 0.5 eV,while water molecule cleavage is the major pathway on the surface of the large particles with higher energy consumption of 0.97 *** lower energy consumption of the oxygen cracking pathway further confirms the ORR mechanism for higher activity on small-sized *** study provides a direction for the rational design of Pt-based catalysts for ORR and sheds light on the commercial development of aluminum-air batteries.

关键词： oxygen reduction reaction precious metal catalysts aluminum-air battery density functional theory(DFT)calculations reaction pathway

Evolution of Biofilm and Its Effect on Microstructure of Mortar Surfaces in Simulated Seawater

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Journal of Wuhan University of Technology(Materials Science) 2024年第1期39卷 234-243页

作者：荣辉 YU Chenglong 张颖 School of Materials Science and Engineering Tianjin Chengjian UniversityTianjin 300384China Tianjin Key Laboratory of Building green Functional Materials Tianjin Chengjian UniversityTianjin 300384China

To explore the role of biofilm formation on the corrosion of marine concrete structures, we investigated the attachment of biofilm on mortar surfaces in simulated seawater and the influence of biofilm on the microstructure of mortar surfaces. The results show that the evolution of biofilm on mortar surfaces in simulated seawater is closely related to the corrosion suffered by the mortar, and the process of biofilm attachment and shedding is continuous and cyclical. It is found that the specimens in the absence of biofilm attachment are more severely eroded internally by the corrosive medium in simulated seawater than those in the presence of biofilm attachment. For the specimens without biofilm attachment, after 60 days, gypsum forms,and after 120 days, the number of pores in the mortar is reduced. In contrast, for the specimens in the presence of biofilm attachment, gypsum could only be detected after 90 days, and fewer pores are filled. Therefore, the formation of biofilm could delay the invasion of the corrosive medium into the interior of mortar during the evolution of biofilm on mortar surfaces, mitigating the corrosion of mortars in seawater.

关键词： biofilm attachment mortar sulfur-oxidizing bacteria gypsum simulated seawater microstructure

Thermal stable Pt clusters anchored by K/TiO_(2)—Al_(2)O_(3)for efficient cycloalkane dehydrogenation

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Chinese Journal of Chemical Engineering 2024年第8期72卷 187-198页

作者： Zhendong Wang Bofeng Zhang Guozhu Liu Xiangwen Zhang Key Laboratory for green Chemical Technology of the Ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Zhejiang institute of Tianjin University Ningbo 315201China

Catalytic dehydrogenation of cycloalkanes is considered a valuable endothermic process for alleviating the thermal barrier issue of hypersonic ***,conventional Pt-based catalysts often face the severe problem of metal sintering under high-temperature ***,we develop an efficient K_(2)CO_(3)-modified Pt/TiO_(2)—Al_(2)O_(3)(K—Pt/TA)for cycloalkane *** optimized K—Pt/TA showed a high specific activity above 27.9 mol·mol^(-1)·s^(-1)(H_(2)/Pt),with toluene selectivity above 90.0%at 600℃with a high weight hourly space velocity of 266.4 h^(-1).The introduction of alkali metal ions could generate titanate layers after high-temperature hydrogen reduction treatment,which promotes the generation of oxygen vacancy defects to anchored Pt *** addition,the titanate layers could weaken the surface acidity of catalysts and inhibit side reactions,including pyrolysis,polymerization,and isomerization ***,this work provides a modification method to develop efficient and stable dehydrogenation catalysts under high-temperature conditions.

关键词： Cycloalkane dehydrogenation Pt clusters Oxygen vacancy defects Coking Stability Deactivation