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Enhancing Deep Learning Soil Moisture Forecasting Models by Integrating Physics-based Models

Advances in Atmospheric Sciences 2024年第7期41卷 1326-1341页

作者： Lu li Yongjiu DAI Zhongwang WEI Wei SHANGGUAN Nan WEI Yonggen zhang Qingliang li xian-xiang li School of Atmospheric Sciences Sun Yat-sen UniversityGuangzhou 510275China Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Guangzhou 510275China Guangdong Province Key Laboratory for Climate Change and Natural Disaster Studies Guangzhou 510275China Institute of Surface-Earth System Science School of Earth System ScienceTianjin UniversityTianjin 300072China College of Computer Science and Technology Changchun Normal UniversityChangchun 130123China

Accurate soil moisture(SM)prediction is critical for understanding hydrological ***-based(PB)models exhibit large uncertainties in SM predictions arising from uncertain parameterizations and insufficient representation of land-surface *** addition to PB models,deep learning(DL)models have been widely used in SM predictions ***,few pure DL models have notably high success rates due to lacking physical ***,we developed hybrid models to effectively integrate the outputs of PB models into DL models to improve SM *** this end,we first developed a hybrid model based on the attention mechanism to take advantage of PB models at each forecast time scale(attention model).We further built an ensemble model that combined the advantages of different hybrid schemes(ensemble model).We utilized SM forecasts from the Global Forecast System to enhance the convolutional long short-term memory(ConvLSTM)model for 1–16 days of SM *** performances of the proposed hybrid models were investigated and compared with two existing hybrid *** results showed that the attention model could leverage benefits of PB models and achieved the best predictability of drought events among the different hybrid ***,the ensemble model performed best among all hybrid models at all forecast time scales and different soil *** is highlighted that the ensemble model outperformed the pure DL model over 79.5%of in situ stations for 16-day *** findings suggest that our proposed hybrid models can adequately exploit the benefits of PB model outputs to aid DL models in making SM predictions.

关键词： soil moisture forecasting hybrid model deep learning ConvLSTM attention mechanism

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Broadening environmental research in the era of accurate protein structure determination and predictions

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Frontiers of Environmental Science & Engineering 2024年第7期18卷 169-178页

作者： Mingda Zhou Tong Wang Ke Xu Han Wang Zibin li Wei-xian zhang Yayi Wang State Key Laboratory of Pollution Control and Resources Reuse Shanghai Institute of Pollution Control and Ecological SecurityCollege of Environmental Science and EngineeringTongji UniversityShanghai 200092China Translational Research Institute of Brain and Brain-like Intelligence Shanghai Fourth People's HospitalSchool of MedicineTongji UniversityShanghai 200434China

The deep-learning protein structure prediction method AlphaFold2 has garnered enormous attention beyond the realm of structural biology,for its groundbreaking contribution to solving the"protein foiding problem"In this perspective,we explore the connection between protein structure studies and environmental research,delving into the potential for addressing specific environmental *** are promising for environmental applications because of the functional diversity endowed by their structural ***,structural studies on proteins with environmental significance remain ***,we present the opportunity to study proteins by advancing experimental determination and deep-learning prediction ***,the latest progress in environmental research via cryogenic electron microscopy is *** allows us to determine the structure of protein complexes in their native state within cells at molecular resolution,revealing environmentally-associated structural *** the remarkable advancements in computational power and experimental resolution,the study of protein structure and dynamics has reached unprecedented depth and *** advancements will undoubtedly accelerate the establishment of comprehensive environmental protein structural and functional *** opportunities for protein engineering exist to enable innovative solutions for environmental applications,such as the degradation of persistent contaminants,and the recovery of valuable metals as well as rare earth elements.

关键词： Environmental proteins Protein structure Cryogenic electron microscopy Protein structure prediction Protein engineering Artificial Intelligence

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Heteroepitaxial growth of Au@Pd core–shell nanocrystals with intrinsic chiral surfaces for enantiomeric recognition

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Rare Metals 2024年第1期43卷 225-235页

作者： Feng-Xia Wu Feng-Hua li Xia-li Lv Qi-xian zhang Guo-Bao Xu Wen-Xin Niu State Key Laboratory of Electroanalytical Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China Shaoxing Institute of Technology Shanghai UniversityShaoxing 312000China University of Science and Technology of China Hefei 230026China School of Materials Science and Engineering Shanghai UniversityShanghai 200436China Zhejiang Institute of Advanced Materials Shanghai UniversityJiashan 314113China University of Chinese Academy of Sciences Beijing 100039China

Noble metal surfaces with intrinsic chirality serve as an ideal candidate for investigating enantioselective chemistry due to their superior chemical durability and high catalytic ***,significant advance has been made in synthesizing metal nanocrystals with intrinsic ***,the majority reports are limited to ***,through a heteroepitaxial growth strategy,the synthesis of metal nanocrystals with intrinsic chirality to palladium was extended for the first time and their application in enantioselective recognition was *** heteroepitaxial growth strategy allows for transferring the chirality of homochiral Au nanocrystals to Au@Pd core–shell *** employing the chiral Au@Pd nanocrystals as enantiomeric recognizing elements,a series of electrochemical sensors for chiral discrimination were *** optimal conditions,the peak potential between D-dihydroxyphenylalanine(D-DOPA)and L-dihydroxyphenylalanine(L-DOPA)is about 80 m V,and the peak current of D-DOPA is 2 times as much as that of L-DOPA,which enables the determination of the enantiomeric excess(EE,%)of ***,this report not only introduces a heteroepitaxial growth strategy to synthesize metal nanocrystals with intrinsic chirality,but also demonstrates the superior capability of integrating intrinsic chirality and catalytic properties into metal nanocrystals for chiral recognition.

关键词： Core–shell nanostructures Chirality transfer Electrochemical sensors Chiral recognition Chiroplasmonics

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Cytoplasmic FKBPs are involved in molting and metamorphosis through regulating the nuclear localization of EcR

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Insect Science 2024年第3期31卷 759-772页

作者： xian zhang Qiao-Ran Wang Qian Wu Jun Gu li-Hua Huang Guangdong Provincial Key Laboratory of Insect Developmental Biology and Applied Technology School of Life SciencesSouth China Normal UniversityGuangzhouChina Guangmeiyuan R&D Center Guangdong Provincial Key Laboratory of Insect Developmental Biology and Applied TechnologySouth China Normal UniversityMeizhouChina

Molting and metamorphosis are important physiological processes in insects that are tightly controlled by ecdysone receptor(EcR)through the 20-hydroxyecdysone(20E)signaling *** is a steroid nuclear receptor(SR).Several FK506-binding proteins(FKBPs)have been identified from the mammal SR complex,and are thought to be involved in the subcellular trafficking of ***,their roles in insects are poorly *** explore whether FKBPs are involved in insect molting or metamorphosis,we injected an FKBP inhibitor(FK506)into a lepidopteran insect,Spodoptera litura,and found that molting was inhibited in 61.11%of the larvae,and that the time for larvae to pupate was significantly extended.A total of 10 FKBP genes were identified from the genome of *** and were clustered into 2 distinct groups,according to their subcellular localization,with FKBP13 and FKBP14 belonging to the endoplasmic reticulum(ER)group and with the other members belonging to the cytoplasmic(Cy)*** the CyFKBPs were significantly upregulated in the prepupal or pupal stages,with the opposite being observed for the ER group ***506 completely blocked the transfer of EcR to the nucleus under 20E induction,and significantly downregulated the transcriptional expression of many 20E signaling genes.A similar phenomenon was observed after RNA interference of2 CyFKBPs(FKBP45 and FKBP12b),but not for *** together,our data indicate that the cytoplasmic FKBPs,especially FKBP45 and FKBP12b,mediate the nuclear localization of EcR,thereby regulating the 20E signaling and ultimately affecting molting and metamorphosis in insects.

关键词： EcR FKBP metamorphosis molting RNAi subcellular localization

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Heterostructure Cu_(3)P-Ni_(2)P/CP catalyst assembled membrane electrode for high-efficiency electrocatalytic nitrate to ammonia

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Nano Research 2024年第6期17卷 4872-4881页

作者： Meng Jin Jiafang liu xian zhang Shengbo zhang Wenyi li Dianding Sun Yunxia zhang Guozhong Wang Haimin zhang Laboratory of Materials Physics Centre for Environmental and Energy NanomaterialsAnhui Key Laboratory of Nanomaterials and NanotechnologyCAS Center for Excellence in NanoscienceInstitute of Solid State PhysicsHefei Institutes of Physical ScienceChinese Academy of SciencesHefei 230031China University of Science and Technology of China Hefei 230026China Anhui Contango New Energy Technology Co. Ltd.Hefei 230031China

Electrochemical nitrate reduction reaction(NO_(3)RR)is a promising means for generating the energy carrier ***,we report the synthesis of heterostructure copper-nickel phosphide electrocatalysts via a simple vapor-phase hydrothermal *** resultant catalysts were evaluated for electrocatalytic nitrate reduction to ammonia(NH_(3))in three-type electrochemical *** detail,the regulation mechanism of the heterogeneous Cu_(3)P-Ni_(2)P/CP-x for NO_(3)RR performance was systematically studied through the H-type cell,rotating disk electrode setup,and membrane-electrode-assemblies(MEA)*** a result,the Cu_(3)P-Ni_(2)P/CP-0.5 displays the practicability in an MEA system with an anion exchange membrane,affording the largest ammonia yield rate(RNH_(3))of 1.9 mmol·h^(−1)·cm^(−2),exceeding most of the electrocatalytic nitrate reduction electrocatalysts reported to *** theoretical calculations and in-situ spectroscopy characterizations uncover that the formed heterointerface in Cu_(3)P-Ni_(2)P/CP is beneficial for promoting nitrate adsorption,activation,and conversion to ammonia through the successive hydrodeoxygenation pathway.

关键词： electrocatalytic nitrate reduction to ammonia three-type reactors membrane-electrode-assemblies system operando ATR-IRRAS successive hydrodeoxygenation pathway

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Highly Hydrolysis-Resistant Polyimide Fibers Prepared by Thermal Crosslinking with Inherent Carboxyl Groups

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Chinese Journal of Polymer Science 2024年第2期42卷 247-255,I0010页

作者： Can-Can zhang Jun-Long Yang Ya-Jiang Huang Guang-xian li College of Polymer Science and Engineering State Key Laboratory of Polymer Materials Engineering of ChinaSichuan UniversityChengdu610065China

Easy hydrolysis in alkaline environments limits the use of polyimide fibers in environmental protection. The hydrolysis resistance levels of polyimide fibers can be improved by crosslinking of the macromolecular chains. In this work, crosslinked polyimide fibers(CPI fibers) were produced by intrinsic carboxyl decarboxylation for the first time. The thermal stability of the polyimide fibers containing the intrinsic carboxyl groups(PIC fibers) was studied, and the temperature of the decarboxylation-crosslinking reaction was determined to be 450 ℃. The PIC fibers were hotdrawn to initiate thermal crosslinking of the carboxyl groups and molecular chain orientation at high temperature. The CPI fibers had high tensile strengths(0.72-1.46 GPa) and compressive strengths(401-604 MPa). The oriented macromolecules and chemically crosslinked structure improved the tightness of the molecular chains and endowed the CPI fibers with excellent hydrolytic resistance. The CPI-50 fiber did not dissolve in a 0.5 wt% NaOH solution during heating at 90 ℃ for 10 h, and the tensile strength retention reached 87% when treated in 0.5 wt% NaOH solutions at 90 ℃ for 1 h, providing a guarantee for its application in alkaline corrosive environments.

关键词： Polyimide Carboxyl group Crosslinking Hydrolysis-resistance

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Establishment of microneurovascular units in alginate hydrogel microspheres to reveal the anti-hypoxic effect of salidroside

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Journal of Pharmaceutical Analysis 2024年第6期14卷 926-929页

作者： Shiyu Chen Yuxuan li Yingrui zhang Hongren Yao Tong Xu Yi zhang Jin-Ming lin xian-li Meng State Key Laboratory of Southwestern Chinese Medicine Resources Innovative Institute of Chinese Medicine and PharmacyChengdu University of Traditional Chinese MedicineChengdu611137China Beijing Key Laboratory of Microanalytical Methods and Instrumentation Department of ChemistryKey Laboratory of Bioorganic Phosphorus Chemistry&Chemical Biology(Ministry of Education)Tsinghua UniversityBeijing100084China School of Ethnic Medicine Chengdu University of Traditional Chinese MedicineChengdu611137China

Microneurovascular units(mNVUs),comprising neurons,micro-glia,and blood-brain barrier(BBB)endothelial cells,are pivotal to the central nervous system and are associated with cerebral hypoxia and brain *** hypoxia triggers microglial overactivity,causing inflammation,neuronal injury,and disruption of the BBB[1].Salidroside(Sal),a key compound in Tibetan medicine Rhodiola crenulata,mitigates hypoxia-induced metabolic disorders and neuronal damage by preserving mitochondrial function[2].

关键词： injuries preserving Tibetan

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Different mechanisms underlie similar species-area relationships in two tropical archipelagoes

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Plant Diversity 2024年第2期46卷 238-246页

作者： Shengchun li Tieyao Tu Shaopeng li xian Yang Yong Zheng liang-Dong Guo Dianxiang zhang lin Jiang Key Laboratory of Plant Resources Conservation and Sustainable Utilization South China Botanical GardenChinese Academy of SciencesGuangzhou 510650China ECNU-Alberta Joint Lab for Biodiversity Study Tiantong Forest Ecosystem National Observation and Research StationSchool of Ecological and Environmental SciencesEast China Normal UniversityShanghai 200241China School of Biological Sciences Georgia Institute of TechnologyAtlantaGA 30332USA Jiangxi Academy of Forestry Nanchang 330032China Institute of Eco-Chongming(IEC) Shanghai 202162China State Key Laboratory of Biocontrol School of EcologySun Yat-sen UniversityGuangzhou 510275China School of Geographical Sciences Fujian Normal UniversityFuzhou 350007China State Key Laboratory of Mycology Institute of MicrobiologyChinese Academy of SciencesBeijing 100101China

Despite much research in the field of island biogeography,mechanisms regulating insular diversity remain ***,we aim to explore mechanisms underlying plant species-area relationships in two tropical archipelagoes in the South China *** found positive plant species-area relationships for both coral and continental ***,our results showed that different mechanisms contributed to similar plant species-area relationships between the two *** coral islands,soil nutrients and spatial distance among communities played major roles in shaping plant community structure and species *** contrast,the direct effect of island area,and to a lesser extent,soil nutrients determined plant species richness on continental ***,increasing soil nutrients availability(N,P,K)had opposite effects on plant diversity between the two *** summary,the habitat quality effect and dispersal limitation are important for regulating plant diversity on coral islands,whereas the passive sampling effect,and to a lesser extent,the habitat quality effect are important for regulating plant diversity on continental *** generally,our findings indicate that island plant species-area relationships are outcomes of the interplay of both niche and neutral processes,but the driving mechanisms behind these relationships depends on the type of islands.

关键词： Coral and continental islands Plant diversity Soil nutrients Species-area relationships The sampling effect

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Enhanced hydrogen evolution performance by 3D ordered macroporous Ru-CoP@NC electrocatalysts

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Rare Metals 2024年第3期43卷 1095-1107页

作者： Chen-Chen zhang Sheng Wei li-xian Sun Yi-Fang Ouyang Fen Xu Hai-liang Chu Hong-GePan li-Xin Chen Xue-zhang Xiao School of Material Science and Engineering Guilin University of Electronic TechnologyGuilin541004China School of Chemistry and Chemical Engineering Guangxi UniversityNanning530004China Shenzhen Institute of Advanced Technology Chinese Academy of SciencesShenzhen518055GuangdongChina Institute of Science and Technology for New Energy Xi'an Technological UniversityXi'an710021China School of Materials Science and Engineering Zhejiang UniversityHangzhou310058China

Electrocatalytic water splitting coupled with sustainable energies is identified as an environmentally friendly and renewable strategy to generate high-quality hydrogen for the fuel ***,the main challenge is to develop high performance,low cost and chemically stable electrocatalysts to decline the energy barriers and enhance the sluggish kinetics of hydrogen evolution reaction(HER).Herein,a three-dimensional hierarchically ordered macroporous Ru-CoP@NC electrocatalyst(3DOM Ru-CoP@NC)derived from ordered macro-microporous metal-organic frameworks has been prepared using the precursor@template and double-solvent *** prepared 3DOM Ru-CoP@NC catalyst exhibits an overpotential of 15 mV(j=10 mA·cm^(-2))and a reaction Tafel slope of 38 mV·dec^(-1)in alkaline electrolyte,which are superior to commercial Pt@C ***,the overpotential and reaction Tafel slope of this catalyst in acidic media are 45 mV and 50 mV·dec^(-1),*** outstanding HER activities of 3DOM Ru-CoP@NC catalysts are ascribed to the 3D highly interconnectedreticular nanospaces that can increase effective reaction active *** N dope d carbon framework improves the electronic properties and ***,the strong interaction of Ru and CoP nanoparticles also boosts the HER *** results indicate that 3DOM Ru-CoP@NC catalysts with high catalytic activities have a broad application prospect in the future.

关键词： Hydrogen evolution reaction Template method 3D ordered macroporous Ru-CoP@NC

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Theoretical Design of Defects as a Driving Force for Ion Transport in li3OBr Solid Electrolyte

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Energy & Environmental Materials 2024年第3期7卷 147-157页

作者： Xingyun Luo Yanlu li xian Zhao State Key Lab of Crystal Materials and Institute of Crystal Materials Shandong University Center for Optics Research and Engineering Shandong University

Due to ever-increasing concerns about safety issues in using li ionic batteries,solid electrolytes have extensively *** li-rich antiperovskite li3OBr has been considered as a promising solid electrolyte candidate,but it still suffers challenges to achieve a high ionic conductivity owing to the high intrinsic symmetry of the crystal ***,we presented a design strategy that introduces various point defects and grain boundaries to break the high lattice symmetry of li3OBr crystal,and their effect and microscopic mechanism of promoting the migration of li-ion were explored *** has been found that liiare the dominant defects responsible for the fast li-ion diffusion in bulk li3OBr and its surface,but they are easily trapped by the grain boundaries,leading to the annihilating of the Frenkel defect pair V'li+li,and thus limits the V'lidiffusion at the grain *** VBrdefect near the grain boundaries can effectively drive V'liacross the grain boundary,thereby converting the carrier of li+migration from li,in the bulk and surface to V'liat the grain boundary,and thus improving the ionic conductivity in the whole li3OBr *** work provides a comprehensive insight into the li+transport and conduction mechanism in the li3OBr *** opens a new way of improving the conductivity for all-solid-state li electrolyte material through the defect design.

关键词： defects density functional theory ionic migration solid electrolyte

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