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Amino acids modified nanoscale zero-valent iron:Density functional theory calculations,experimental synthesis and application in the Fenton-like degradation of organic solvents

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Journal of Environmental Sciences 2024年第1期135卷 296-309页

作者： Xingchen Yang Fucheng Ming Jianlong Wang Lejin xu Department of Nuclear Engineering and Technology School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074China China-EU Institute for Clean and Renewable Energy Huazhong University of Science and TechnologyWuhan 430074China Institute of Nuclear and New Energy Technology Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of EducationTsinghua UniversityBeijing 100084China Beijing Key Laboratory of Radioactive Wastes Treatment Tsinghua UniversityBeijing 100084China

To improve the adsorption and catalytic performance of heterogeneous Fenton-like catalysts for oil wastes,amino acids were used to modify nanoscale zero-valent iron(AA@Fe^(0)),which were applied in the Fenton-like degradation of organic solvents(tributyl phosphate and n-dodecane,named TBP and DD).Twelve amino acids,i.e.,glycine(Gly),alanine(Ala),leucine(Leu),proline(Pro),phenylalanine(Phe),methionine(Met),cysteine(Cys),asparagine(Asn),serine(Ser),glutamic acid(Glu),lysine(Lys)and arginine(Arg),were selected and calculated by density functional theory(DFT).The optimized structure,charge distribution,the highest occupied molecular orbital(HOMO),the lowest unoccupied molecular orbital(LUMO),interaction region indicator(IRI)isosurface map and adsorption energy of AA@Fe^(0),AA@Fe^(0)-TBP and AA@Fe^(0)-DD were studied,which indicated that Fe is more likely to approach and charge transfer with-COO and-NH_(3) on theα-carbon of amino acids.There is strong attraction between Fe and–COO,and Van der Waals force between Fe and-NH_(3),respectively.In the interaction of AA@Fe^(0)with TBP and DD,Van der Waal force plays an important role.AA@Fe^(0)was synthesized in laboratory and characterized to investigate physicochemical properties.In Fenton-like degradation of organic solvents,the change of COD in water phase during the degradation process as well as the volume of the organic phase after the reaction were investigated.The results of calculations combined with experiments showed that Ser-modified Fe^(0)performed the best in these amino acids,with 98%removal of organic solvents.A possible catalytic mechanism was proposed in which amino acids acted a linking role between Fe and organic solvents,activating H_(2)O_(2)to generate hydroxyl radicals for the degradation of organic solvents.

关键词： Amino acids Nanoscale zero-valent iron Density functional theory Organic solvents Fenton-like degradation

Spatial diversion and coordination of flood water for an urban flood control project in Suzhou, China

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Water Science and Engineering 2024年第2期17卷 108-117页

作者： Yu xu You-peng xu Qiang Wang Yue-feng Wang Chao Gao Department of Geography and Spatial Information Techniques Ningbo UniversityNingbo 315211China State Key Laboratoryof Hydology Water Resources and Hydraulic Enginering Nanjing Hydraulic Research InstitueNanjing 210029China Laboratory of Sustainable Urban Drainage Ningbo UniversityNingbo 31521lChina Schol of Gegraphical and Oceanographic Sciences Nanjing UniversiyNanjing 210023China School of Geography and Tourism Chongqing Normal UniversityChongqing 401331China

Suzhou City,located in the Yangtze River Delta in China,is prone to flooding due to a complex combination of natural factors,including its monsoon climate,low elevation,and tidally influenced position,as well as intensive human activities.The Large Encirclement Flood Control Project(LEFCP)was launched to cope with serious floods in the urban area.This project changed the spatiotemporal pattern of flood processes and caused spatial diversion of floods from the urban area to the outskirts of the city.Therefore,this study developed a distributed flood simulation model in order to understand this transition of flood processes.The results revealed that the LEFCP effectively protected the urban areas from floods,but the present scheduling schemes resulted in the spatial diversion of floods to the outskirts of the city.With rainstorm frequencies of 10.0%to 0.5%,the water level differences between two representative water level stations(Miduqiao(MDQ)and Fengqiao(FQ))located inside and outside the LEFCP area,ranged from 0.75 m to 0.24 m and from 1.80 m to 1.58 m,respectively.In addition,the flood safety margin at MDQ and the duration with the water level exceeding the warning water level at FQ ranged from 0.95 m to 0.43 m and from 4 h to 22 h,respectively.Rational scheduling schemes for the hydraulic facilities of the LEFCP in extreme precipitation cases were developed ac-cording to food simulations under seven scheduling scenarios.This helps to regulate the spatial flood diversion caused by the LEFCP during extreme precipitation.

关键词： Urban flooding Urban flood control project Rainstorm fregue ncy Flood simulation model Suzhou City

Post-acute ischemic stroke hyperglycemia aggravates destruction of the blood-brain barrier

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Neural Regeneration Research 2024年第6期19卷 1344-1350页

作者： Tianqi xu Jianhong Yang Yao xu Xiaofeng Wang Xiang Gao Jie Sun Chenhui Zhou Yi Huang Department of Neurology The First Affiliated Hospital of Ningbo University Department of General Surgery The First Affiliated Hospital of Ningbo University Department of Neurosurgery The First Affiliated Hospital of Ningbo University Key Laboratory of Precision Medicine for Atherosclerotic Diseases of Zhejiang Province

Post-acute ischemic stroke hyperglycemia increases the risk of hemorrhagic transformation, which is associated with blood-brain barrier disruption. Brain microvascular endothelial cells are a major component of the blood-brain barrier. Intercellular mitochondrial transfer has emerged as a novel paradigm for repairing cells with mitochondrial dysfunction. In this study, we first investigated whether mitochondrial transfer exists between brain microvascular endothelial cells, and then investigated the effects of post-acute ischemic stroke hyperglycemia on mitochondrial transfer between brain microvascular endothelial cells. We found that healthy brain microvascular endothelial cells can transfer intact mitochondria to oxygen glucose deprivation-injured brain microvascular endothelial cells. However, post-oxygen glucose deprivation hyperglycemia hindered mitochondrial transfer and exacerbated mitochondrial dysfunction. We established an in vitro brain microvascular endothelial cell model of the blood-brain barrier. We found that post-acute ischemic stroke hyperglycemia reduced the overall energy metabolism levels of brain microvascular endothelial cells and increased permeability of the blood-brain barrier. In a clinical study, we retrospectively analyzed the relationship between post-acute ischemic stroke hyperglycemia and the severity of hemorrhagic transformation. We found that post-acute ischemic stroke hyperglycemia serves as an independent predictor of severe hemorrhagic transformation. These findings suggest that post-acute ischemic stroke hyperglycemia can aggravate disruption of the blood-brain barrier by inhibiting mitochondrial transfer.

关键词： acute ischemic stroke blood-brain barrier brain microvascular endothelial cells mitochondrial transfer stress hyperglycemia

Improving the accuracy of precipitation estimates in a typical inland arid area of China using a dynamic Bayesian model averaging approach

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Journal of Arid Land 2024年第3期16卷 331-354页

作者： xu Wenjie DING Jianli BAO Qingling WANG Jinjie xu Kun College of Geography and Remote Sensing Sciences Xinjiang UniversityUrumqi 830017China Key Laboratory of Smart City and Environment Modelling of Higher Education Institute Xinjiang UniversityUrumqi 830017China

Xinjiang Uygur Autonomous Region is a typical inland arid area in China with a sparse and uneven distribution of meteorological stations,limited access to precipitation data,and significant water scarcity.Evaluating and integrating precipitation datasets from different sources to accurately characterize precipitation patterns has become a challenge to provide more accurate and alternative precipitation information for the region,which can even improve the performance of hydrological modelling.This study evaluated the applicability of widely used five satellite-based precipitation products(Climate Hazards Group InfraRed Precipitation with Station(CHIRPS),China Meteorological Forcing Dataset(CMFD),Climate Prediction Center morphing method(CMORPH),Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks-Climate Data Record(PERSIANN-CDR),and Tropical Rainfall Measuring Mission Multi-satellite Precipitation Analysis(TMPA))and a reanalysis precipitation dataset(ECMWF Reanalysis v5-Land Dataset(ERA5-Land))in Xinjiang using ground-based observational precipitation data from a limited number of meteorological stations.Based on this assessment,we proposed a framework that integrated different precipitation datasets with varying spatial resolutions using a dynamic Bayesian model averaging(DBMA)approach,the expectation-maximization method,and the ordinary Kriging interpolation method.The daily precipitation data merged using the DBMA approach exhibited distinct spatiotemporal variability,with an outstanding performance,as indicated by low root mean square error(RMSE=1.40 mm/d)and high Person's correlation coefficient(CC=0.67).Compared with the traditional simple model averaging(SMA)and individual product data,although the DBMA-fused precipitation data were slightly lower than the best precipitation product(CMFD),the overall performance of DBMA was more robust.The error analysis between DBMA-fused precipitation dataset and the more advanced Integrated Multi-satellite Retrievals for Global Pre

关键词： precipitation estimates satellite-based and reanalysis precipitation dynamic Bayesian model averaging streamflow simulation Ebinur Lake Basin Xinjiang

CdS/LaFeO_(3) heterojunctions with improved optical properties for visible-light catalytic applications

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Journal of Rare Earths 2024年第5期42卷 879-888,I0003页

作者： Jiaqi Wei Wen Zhu xuelian xu Xiao xu Junjiang Zhu Hubei Key Laboratory of Biomass Fibers and Eco-dyeing&Finishing College of Chemistry and Chemical EngineeringWuhan Textile University ChemistryWuhan430200China

Construction of heterojunctions is a normal and effective strategy to improve the photocatalytic performances of semiconductors,through which both the lifetime and the redox ability of electrons/holes can be improved,as co mpared to the respective component.On this basis,we constructed Z-scheme CdS/LaFeO_(3) heterojunctions(CdS/LFO),by in-situ growing different amounts of CdS on the surface of LaFeO_(3),for photocatalytic degradation of tetracycline hydrochloride(TC)in aqueous solution at room temperature.The crystal structure,surface morphology and optoelectronic properties of the COS/LFO heterojunctions were systemically characterized to correlate the reaction activity.Photocatalytic tests indicate that the CdS/LFO heterojunctions exhibit promising activity for TC degradation under visible light irradiation(λ≥420 nm),with 85%TC conversion obtained at reaction time of 45 min,which is 3.4 and 1.9 times higher than that of CdS and LaFeO_(3).The CdS/LFO heterojunctions are also stable in the reaction and can be reused for four cycles with no appreciable activity loss.The applicability of CdS/LFO to photocatalytic degradation of organic dyes,as well as the reaction mechanism,was also explored.

关键词： LaFeO_(3) CdS Photocatalytic degradation Tetracycline hydrochloride Reaction mechanism Rare earths

Effect of drying-wetting cycles on pore characteristics and mechanical properties of enzyme-induced carbonate precipitation-reinforced sea sand

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第1期16卷 291-302页

作者： Ming Huang Kai xu Zijian Liu Chaoshui xu Mingjuan Cui College of Civil Engineering Fuzhou UniversityFuzhou350108China Xiamen Rail Transit Construction and Development Group Co. Ltd.Xiamen361000China School of Civil Environment and Mining EngineeringThe University of AdelaideAdelaide5005Australia

Enzyme-induced carbonate precipitation(EICP)is an emanating,eco-friendly and potentially sound technique that has presented promise in various geotechnical applications.However,the durability and microscopic characteristics of EICP-treated specimens against the impact of drying-wetting(D-W)cycles is under-explored yet.This study investigates the evolution of mechanical behavior and pore charac-teristics of EICP-treated sea sand subjected to D-W cycles.The uniaxial compressive strength(UCS)tests,synchrotron radiation micro-computed tomography(micro-CT),and three-dimensional(3D)recon-struction of CT images were performed to study the multiscale evolution characteristics of EICP-reinforced sea sand under the effect of D-W cycles.The potential correlations between microstructure characteristics and macro-mechanical property deterioration were investigated using gray relational analysis(GRA).Results showed that the UCS of EICP-treated specimens decreases by 63.7% after 15 D-W cycles.The proportion of mesopores gradually decreases whereas the proportion of macropores in-creases due to the exfoliated calcium carbonate with increasing number of D-W cycles.The micro-structure in EICP-reinforced sea sand was gradually disintegrated,resulting in increasing pore size and development of pore shape from ellipsoidal to columnar and branched.The gray relational degree suggested that the weight loss rate and UCS deterioration were attributed to the development of branched pores with a size of 100-1000 m m under the action of D-W cycles.Overall,the results in this study provide a useful guidancee for the long-term stability and evolution characteristics of EICP-reinforced sea sand under D-W weathering conditions.

关键词： Enzyme-induced carbonate precipitation(EICP) Plant-based urease Drying-wetting(D-W)cycles Microstructure

TRIM21-dependent ultrasmall chiral gold nanoparticles for preventing microglia senescence against Alzheimer's disease

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Science China Chemistry 2024年第4期67卷 1360-1372页

作者： Meiru Lu Changlong Hao Liguang xu Feng Yu Jiwei Jiang Yanli Wang Jun xu Hua Kuang Chuanlai xu Maozhong Sun International Joint Research Laboratory for Biointerface and Biodetection State Key Laboratory of Food Science and ResourcesSchool of Food Science and TechnologyJiangnan UniversityWuxi 214122China Institute of Life Sciences Jiangsu UniversityZhenjiang 212013China Department of Neurology Beijing Tiantan HospitalCapital Medical UniversityBeijing 100050China National Clinical Research Center for Neurological Diseases Beijing 100070China

Tripartite motif 21(TRIM21)is an E3 ubiquitin ligase that shows great promise for protein degradation through ubiquitination.Here,ultrasmall chiral gold nanoparticles(D-or L-NPs)modified by D-or L-glutathione ligands were fabricated.After conjugated with an NLR family pyrin domain-containing protein 3(NLRP3)antibody(D-NP-a NLRP3 or L-NP-a NLRP3),DNP-a NLRP3 showed effective delivery efficiency of the antibody into microglia and prevented Aβ-mediated microglia senescence,and p16^(ink4a),a marker of senescence,in the microglia was reduced by 90.3%±7.8% while L-NP-a NLRP3 decreased by 48.01%±3.1%.Mechanistic investigations revealed that the D-NP-a NLRP3((1.5±0.3)×10^(7)M^(-1))exhibited sixteen-fold larger binding affinity to transmembrane glycoprotein SLC3A2 than L-type((9.5±2.7)×10^(5)M^(-1)),which led to a high efficiency of antibody delivery and TRIM21-dependent NLRP3 degradation.Notably,the blood-brain barrier(BBB)-crossing ability of chiral NP-a NLRP3 as well as NLRP3 degradation was demonstrated in vivo.The APP/PS1 Alzheimer's disease(AD)model mice experiments exhibited a reduction of 89.7%±6.8% for the NLRP3 protein and 84.2±7.5% for p16^(ink4a)following the intravenous administration of D-NP-a NLRP3 once a week for 60 days.Furthermore,the levels of the AD markers Aβ and phosphorylatedTau in the brains were reduced by 86.2%±8.2% and 81.6%±9.1%;these were 2.1-fold and 1.9-fold higher than those treated with L-NP-a NLRP3,respectively.The studies provide a method to rescue AD-like pathologies and prevent senescence.

关键词： chiral gold nanoparticles amyloid-β NLRP3 TRIM21 senescence Alzheimer's disease

Neural Circuitry Involving Substance P in Male Sexual Behavior

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Neuroscience Bulletin 2024年第4期40卷 544-546页

作者： Xinrong Wang Junqiang Zheng Han xu Department of Neurobiology and Department of Neurology of the Second Affiliated Hospital and School of Brain Science and Brain Medicine Zhejiang University School of MedicineHangzhou310058China Nanhu Brain-Computer Interface Institute Hangzhou311100China Liangzhu Laboratory MOE Frontier Science Center for Brain Science and Brain-machine IntegrationState Key Laboratory of Brain-Machine IntelligenceZhejiang UniversityHangzhou311121China NHC and CAMS Key Laboratory of Medical Neurobiology Zhejiang UniversityHangzhou310058China Lingang Laboratory Shanghai200031China

Male sexual behavior is an innate social behavior crucial for reproduction[1].Previous studies have identified several brain regions crucial for the control of both sexual and aggressive behaviors in males.Yet,molecularly specified neural circuits that specifically control male sexual behavior remain elusive.Consistent with the inherently rewarding nature of sexual behavior,previous research has implicated the role of the dopamine system in regulating sexual desire[2].However,the interaction between reward and copulation at the circuit level remains largely unexplored.Besides,it is unclear if the associated neural pathways are specific in modulating sexual reward.

关键词： behavior neural specified

A General Simulation Method for Complex Deformation of Irregular-Shaped Origami Configurations

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Acta Mechanica Solida Sinica 2024年第1期37卷 90-98页

作者： Zhaochen Dong Yichao Zhu xu Guo State Key Laboratory of Structural Analysis for Industrial Equipment Department of Engineering MechanicsInternational Research Center for Computational MechanicsDalian University of TechnologyDalian 116023China

Most existing treatments for origami-folding simulations have focused on regular-shaped configurations.This article aims to introduce a general strategy for simulating and analyzing the deformation process of irregular shapes by means of computational capabilities nowadays.To better simulate origami deformation with folding orders,the concept of plane follow-up is introduced to achieve automated computer simulation of complex folding patterns,thereby avoiding intersection and penetration between planes.Based on the evaluation criteria such as the lowest storage energy with tightening and the fastest pace from tightening to unfolding,the optimal crease distribution patterns for four irregular(‘N’-,‘T’-,‘O’-,and‘P’-shaped)origami configurations are then presented under five candidates.When the dimensions of the origami are fixed,it is discovered that simpler folding patterns lead to faster deformation of the origami configuration.When the folding complexity is fixed,higher strain energy results in more rapid origami expansion.

关键词： Irregular-shaped origami Complex deformation Computer-aided origami design General simulation