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Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface:A First‑Principles Study

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Nano-Micro Letters 2024年第6期16卷 180-191页

作者： Xiaoyu Liu Yiming Guo Fanghua Ning Yuyu Liu Siqi shi Qian Li Jiujun Zhang shigang lu Jin Yi Institute for Sustainable Energy&Department of Chemistry Shanghai UniversityShanghai 200444People’s Republic of China School of Materials Science and Engineering Shanghai UniversityShanghai 200444People’s Republic of China College of Materials Science and Engineering National Engineering Research Center for Magnesium AlloysChongqing UniversityChongqing 400044People’s Republic of China

Hydrogen evolution reaction(HER)has become a key factor affecting the cycling stability of aqueous Zn-ion batteries,while the corresponding fundamental issues involving HER are still unclear.Herein,the reaction mechanisms of HER on various crystalline surfaces have been investigated by first-principle calculations based on density functional theory.It is found that the Volmer step is the ratelimiting step of HER on the Zn(002)and(100)surfaces,while,the reaction rates of HER on the Zn(101),(102)and(103)surfaces are determined by the Tafel step.Moreover,the correlation between HER activity and the generalized coordination number(CN)of Zn at the surfaces has been revealed.The relatively weaker HER activity on Zn(002)surface can be attributed to the higher CN of surface Zn atom.The atomically uneven Zn(002)surface shows significantly higher HER activity than the flat Zn(002)surface as the CN of the surface Zn atom is lowered.The CN of surface Zn atom is proposed as a key descriptor of HER activity.Tuning the CN of surface Zn atom would be a vital strategy to inhibit HER on the Zn anode surface based on the presented theoretical studies.Furthermore,this work provides a theoretical basis for the in-depth understanding of HER on the Zn surface.

关键词： Aqueous Zn-ion battery Zn anode Hydrogen evolution reaction Coordination number First-principles calculation

The risk factors and threshold level of subchronic inhalation exposure of reclaimed water

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Journal of Environmental Sciences 2024年第3期137卷 639-650页

作者： Jiayang Kong Yun lu Yunru Ren Menghao Chen gang Liu Liangliang shi State Key Joint Laboratory of Environment Simulation and Pollution Control State Environment Protection Key Laboratory of Microorganism Application and Risk ControlSchool of EnvironmentTsinghua UniversityBeijing 100084China

Inhalation of reclaimed water is known to cause lung infammation,and free endotoxins have been shown to be a major risk factor for acute exposure.Subchronic exposure has also been shown to induce infammatory responses with visible tissue damage.However,subchronic risk factors have yet to be identified,and a threshold for the protection of occupational populations during urban reuse is necessary.In this study,potential risk factors in reclaimed water were examined by subchronic exposure with fractionated reclaimed water,and the health risk threshold was tested with a series of diluted reclaimed water.Accordingly,following a 12-week exposure,macromolecules and microorganisms were found to be two major risk factors in reclaimed water that could cause pulmonary infammation,including increased proportion of polymorphonuclear leukocytes in bronchoalveolar fuid,formation of inducible bronchus-associated lymphoid tissue,and elevation of Immunoglobulin A levels.Moreover,infammation persisted after a 4-week recovery period.The calculated threshold of reclaimed water exposure for mice was 31.8 Endotoxin Unit(EU)/(kg·day)under when exposed to 50%additional relative humidity from reclaimed water at 25℃ for 2 hr/day.Meanwhile,the subchronic threshold estimate for humans under the same exposure conditions was found to be 12.2 EU/(kg·day),corresponding to endotoxin levels of 61.7 EU/mL in reclaimed water.The threshold level of endotoxin was lower than that in most non-potable reclaimed water.The findings of this study suggest that occupational exposure of reclaimed water can serve as a potential risk to workers.

关键词： Reclaimed water Inhalation exposure Risk factor Threshold Infammation Endotoxin

Intelligent geochemical interpretation of mass chromatograms:Based on convolution neural network

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Petroleum Science 2024年第2期21卷 752-764页

作者： Kai-Ming Su Jun-gang lu Jian Yu Zi-Xing lu shi-Jia Chen Hubei Key Laboratory of Petroleum Geochemistry and Environment Wuhan430100HubeiChina College of Resources and Environment Yangtze UniversityWuhan430100HubeiChina School of Geoscience and Technology Southwest Petroleum UniversityChengdu610500SichuanChina Changqing Oilfield Company PetroChinaXi©an710021ShaanxiChina

Gas chromatography-mass spectrometry(GC-MS)is an extremely important analytical technique that is widely used in organic geochemistry.It is the only approach to capture biomarker features of organic matter and provides the key evidence for oil-source correlation and thermal maturity determination.However,the conventional way of processing and interpreting the mass chromatogram is both timeconsuming and labor-intensive,which increases the research cost and restrains extensive applications of this method.To overcome this limitation,a correlation model is developed based on the convolution neural network(CNN)to link the mass chromatogram and biomarker features of samples from the Triassic Yanchang Formation,Ordos Basin,China.In this way,the mass chromatogram can be automatically interpreted.This research first performs dimensionality reduction for 15 biomarker parameters via the factor analysis and then quantifies the biomarker features using two indexes(i.e.MI and PMI)that represent the organic matter thermal maturity and parent material type,respectively.Subsequently,training,interpretation,and validation are performed multiple times using different CNN models to optimize the model structure and hyper-parameter setting,with the mass chromatogram used as the input and the obtained MI and PMI values for supervision(label).The optimized model presents high accuracy in automatically interpreting the mass chromatogram,with R2values typically above 0.85 and0.80 for the thermal maturity and parent material interpretation results,respectively.The significance of this research is twofold:(i)developing an efficient technique for geochemical research;(ii)more importantly,demonstrating the potential of artificial intelligence in organic geochemistry and providing vital references for future related studies.

关键词： Organic geochemistry Biomarker Mass chromatographic analysis Automated interpretation Convolution neural network Machine learning

Research on the influences of motion characteristics of jetting projectile charge under water

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Defence Technology（防务技术） 2024年第3期33卷 411-425页

作者： Xing Chen Yong-gang lu Institute of Systems Engineering China Academy of Engineering PhysicsMianyang 621900SichuanChina

Shaped charge warhead is important for enhancing the damage performance of underwater weapons.This paper used finite element analysis software and based on JPC water penetration experiments to examine the influence of liner parameters(wall thickness,material),charge aspect ratio,and stand-off distance on the movement characteristics of JPC in water.The findings reveal that the head diameter of the JPC increases and experiences significant erosion after entering the water,the effective length of the JPC in water undergoes two distinct phases:a growth phase and a decrease phase,with the velocity of the JPC decaying exponentially.Increasing the liner thickness,stand-off distance and the charge aspect ratio can improve the erosion resistance and the velocity retention capacity of the JPC.The optimal ranges for liner thickness and stand-off distance are 0.0363D_(k) to 0.0545D_(k)(D_(k) is the charge diameter),the stand-off distance should be within 1.0D_(k).After the charge aspect ratio higher than 1.25,the charge structure exerts minimal influence the movement characteristics of the JPC in water.Material density plays a crucial role in the velocity decay pattern of the JPC during penetration.JPC with higher densities exhibit superior velocity retention capabilities in water,with the velocity decay pattern converging if the densities are similar.Consequently,copper,tantalum and tungsten liners are deemed appropriate for underwater shaped charge warhead.Finally,the results will provide an important reference for the design of underwater shaped charge warhead.

关键词： JPC Movement characteristics Underwater penetration Numerical simulation

Fluid-structure interaction simulation for multi-body flexible morphing structures

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Chinese Journal of Aeronautics 2024年第2期37卷 137-147页

作者： Wenzhi GUO Yongtao SHUI lu NIE gang CHEN State Key Laboratory of Strength and Vibration for Mechanic Structures School of Aerospace EngineeringXi’an Jiaotong UniversityXi’an 710049China China Academy of Launch Vehicle Technology Beijing 100076China China Academy of Aerospace Science and Innovation Beijing 100086China Shannxi Key Laboratory of Service Environment and Control for Flight Vehicles Xi’an Jiaotong UniversityXi’an 710049China

The multi-body flexible morphing airfoil can improve the aerodynamic characteristics based on different flight missions continuously.Recently researches have focused on the unsteady aerodynamic characteristics of flexible wings under passive actuation.However,the unsteady aerodynamic characteristics with the fluid-structure interaction effects in the multi-body active actuation process of morphing airfoil deserve further investigation.In this paper,a fluid-structure coupled simulation method for multi-body flexible morphing airfoil with active actuation subsystem was investigated,and the aerodynamic characteristics during deformation were compared with different skin flexibility,flow field environment,actuation mode and actuation time.The numerical results show that for the steady aerodynamic,the skin flexibility can improve the stability efficiency.In the unsteady process,the change trend of the transient lift coefficient and pitching moment are consistent with those of the active drive characteristics,while the instantaneous lift-drag ratio coefficient is greatly affected by the driving mode and can be improved by increasing the driving duration.

关键词： Fluid-structure interaction Multi-body dynamics modeling Flexible structures Aerodynamics Morphing wings

Clinical features and prognostic factors of duodenal neuroendocrine tumours:A comparative study of ampullary and nonampullary regions

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World Journal of Gastrointestinal Oncology 2024年第3期16卷 907-918页

作者： Sa Fang Yu-Peng shi lu Wang Shuang Han Yong-Quan shi Department of Gastroenterology Honghui HospitalXi’an Jiaotong UniversityXi'an 710054Shanxi ProvinceChina Department of Gastroenterology The Second Affiliated Hospital of Xi’an Jiaotong UniversityXi’an 710032Shaanxi ProvinceChina Department of Gastroenterology Xijing Hospital Affiliated to Air Force Medical UniversityXi'an 710032Shaanxi ProvinceChina

BACKGROUND Duodenal neuroendocrine tumours(DNETs)are rare neoplasms.However,the incidence of DNETs has been increasing in recent years,especially as an incidental finding during endoscopic studies.Regrettably,there is no consensus regarding the ideal treatment of DNETs.Even there are few studies on the clinical features and survival analysis of DNETs.AIM To analyze the clinical characteristics and prognostic factors of patients with duodenal neuroendocrine tumours.METHODS The clinical data of DNETs diagnosed in the First Affiliated Hospital of Air Force Military Medical University from June 2011 to July 2022 were collected.Neuroen-docrine tumours located in the ampulla area of the duodenum were divided into the ampullary region group;neuroendocrine tumours in any part of the duo-denum outside the ampullary area were divided into the nonampullary region group.Using a retrospective study,the clinical characteristics of the two groups and risk factors affecting the survival of DNET patients were analysed.RESULTS Twenty-nine DNET patients were screened.The male to female ratio was 1:1.9,and females comprised the majority.The ampullary region group accounted for 24.1%(7/29),while the nonampullary region group accounted for 75.9%(22/29).When diagnosed,the clinical symptoms of the ampullary region group were mainly abdominal pain(85.7%),while those of the nonampullary region groups were mainly abdominal distension(59.1%).There were differences in the composition of staging of tumours between the two groups(Fisher's exact probability method,P=0.001),with nonampullary stage II tumours(68.2%)being the main stage(P<0.05).After the diagnosis of DNETs,the survival rate of the ampullary region group was 14.3%(1/7),which was lower than that of 72.7%(16/22)in the nonampullary region group(Fisher's exact probability method,P=0.011).The survival time of the ampullary region group was shorter than that of the nonampullary region group(P<0.000).The median survival time of the ampullary region group was 10.0 months and that of the no

关键词： Duodenum Neuroendocrine Tumour Ampullary Nonampullary Clinical features Prognostic

Efficacy of transjugular intrahepatic portosystemic shunts in treating cirrhotic esophageal-gastric variceal bleeding

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World Journal of Gastrointestinal Surgery 2024年第2期16卷 471-480页

作者： Xiao-gang Hu Jian-Ji Dai Jun lu gang Li Jia-Min Wang Yi Deng Rui Feng Kai-Ping lu Department of Interventional Radiology The Affiliated Jinhua HospitalZhejiang University School of MedicineJinhua 321000Zhejiang ProvinceChina Department of Interventional Medicine Zhejiang Provincial People’s HospitalPeople’s Hospital of Hangzhou Medical CollegeHangzhou 310000Zhejiang ProvinceChina Department of Vascular Surgery Zhejiang Provincial People’s HospitalPeople’s Hospital of Hangzhou Medical CollegeHangzhou 310000Zhejiang ProvinceChina

BACKGROUND Esophageal-gastric variceal bleeding(EGVB)represents a severe complication among patients with cirrhosis and often culminates in fatal outcomes.Interven-tional therapy,a rapidly developing treatment modality over the past few years,has found widespread application in clinical practice due to its minimally inva-sive characteristics.However,whether transjugular intrahepatic portosystemic shunt(TIPS)treatment has an impact on patient prognosis remains controversial.METHODS A retrospective study was conducted on ninety-two patients presenting with cirrhotic EGVB who were admitted to our hospital between September 2020 and September 2022.Based on the different modes of treatment,the patients were assigned to the study group(TIPS received,n=50)or the control group(per-cutaneous transhepatic varices embolization received,n=42).Comparative ana-lyses were performed between the two groups preoperatively and one month postoperatively for the following parameters:Varicosity status;hemodynamic parameters[portal vein flow velocity(PVV)and portal vein diameter(PVD);platelet count(PLT);red blood cell count;white blood cell count(WBC);and hepatic function[albumin(ALB),total bilirubin(TBIL),and aspartate transaminase(AST)].The Generic Quality of Life Inventory-74 was utilized to assess quality of life in the two groups,and the 1-year postoperative rebleeding and survival rates were compared.RESULTS Following surgical intervention,there was an improvement in the incidence of varicosity compared to the preoperative status in both cohorts.Notably,the study group exhibited more pronounced enhancements than did the control group(Plues,with the study cohort achieving better outcomes(P<0.05).PLT and WBC counts were elevated postoperatively in the two groups,with the study cohort displaying higher PLT and WBC counts(P<0.05).No differences were detected between the two groups in terms of serum ALB,TBIL,or AST levels either preoperatively or postoperatively(P<0

关键词： Liver cirrhosis Esophagogastric variceal bleeding Transjugular intrahepatic portosystemic shunt Prognosis

The Variation of Plankton Community Structure in Artificial Reef Area and Adjacent Waters in Haizhou Bay

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Journal of Ocean University of China 2024年第1期23卷 264-276页

作者： GAO shike shi Yixi lu Yanan ZHANG Shuo College of Marine Sciences Shanghai Ocean UniversityShanghai 201306China Joint Laboratory for Monitoring and Conservation of Aquatic Living Resources in the Yangtze Estuary Shanghai 200000China

Plankton are an important component of marine protected areas(MPAs),and its communities would require much smaller interpatch distances to ensure connection among MPAs.According to the survey from MPAs dominated by artificial reefs and adjacent waters(estuary area(EA),aquaculture area(AA),artificial reef area(ARA),natural area(NA)and comprehensive effect area(CEA))in Haizhou Bay in spring and autumn,we analyzed phyto-zooplankton composition,abundance and biomass,and correlation with hydrologic variables to gain information about the forces that structure the plankton.The results showed that the dominant zooplankton were copepods(spring,98.9%;autumn,94.2%),while the phytoplankton were mainly composed of Bacillariophyta(spring,61.8%;autumn,95.6%).The RDA results showed that temperature,salinity and depth highly associated with the distribution and composition of plankton species among the habitats than other factors in spring;temperature,Chla and DO had the strongest influence in autumn.The zooplankton in the ARA and AA ecosystems basically contained the same species as those in other habitats,and each habitat also exhibited a relatively unique combination of plankton species.The structures of the EA zooplankton in spring and the EA phytoplankton in both seasons were much different than other habitats,which may have been caused by factors such as currents and tides.We concluded that there exists similarity of the plankton community between artificial reef area and adjacent waters,whereas the EAs may be relatively independent systems.Therefore,these interaction between plankton community should be considered when designing MPA networks,and ocean circulations should be considered more than the environmental factors.

关键词： zooplankton phytoplankton seasonal variation environmental factor artificial reef

Innovations in functional genomics and molecular breeding of pea:exploring advances and opportunities

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aBIOTECH 2024年第1期5卷 71-93页

作者： Baizhi Chen Yan shi Yuchen Sun lu lu luyao Wang Zijian Liu shifeng Cheng Agricultural Genomics Institute at Shenzhen(AGIS) Chinese Academy of Agricultural Sciences(CAAS)ShenzhenChina

The garden pea(Pisum sativum L.)is a significant cool-season legume,serving as crucial food sources,animal feed,and industrial raw materials.The advancement of functional genomics over the past two decades has provided substantial theoretical foundations and progress to pea breeding.Notably,the release of the pea reference genome has enhanced our understanding of plant architecture,symbiotic nitrogen fixation(SNF),flowering time,floral organ development,seed development,and stress resistance.However,a considerable gap remains between pea functional genomics and molecular breeding.This review summarizes the current advancements in pea functional genomics and breeding while highlighting the future challenges in pea molecular breeding.

关键词： Pea Genome study Agronomic traits Breeding