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Static and dynamic evolution of CO adsorption onγ-U(100)surface with different levels of Mo doping using DFT and AIMD calculations

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Nuclear Science and Techniques 2023年第9期34卷 142-154页

作者： Jun-wei Li wei-min jia Chong Liu Sha-Sha Lv Jin-Tao Wang Zheng-Cao Li Key Lab of Advanced Materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Xi’an Research Institute of High-Technology Xi’an 710025China Key Laboratory of Beam Technology(MOE) College of Nuclear Science and TechnologyBeijing Normal UniversityBeijing 100875China

Alloys of uranium and molybdenum are considered as the future of nuclear fuel and defense materials.However,surface corrosion is a fundamental problem in practical applications and storage.In this study,the static and dynamic evolution of carbon monoxide(CO)adsorption and dissociation onγ-U(100)surface with different Mo doping levels was investigated based on density functional theory and ab initio molecular dynamics.During the static calculation phase,parameters,such as adsorption energy,configuration,and Bader charge,were evaluated at all adsorption sites.Furthermore,the time-dependent behavior of CO molecule adsorption were investigated at the most favorable sites.The minimum energy paths for CO molecu-lar dissociation and atom migration were investigated using the transition state search method.The results demonstrated that the CO on the uranium surface mainly manifests as chemical adsorption before dissociation of the CO molecule.The CO molecule exhibited a tendency to rotate and tilt upright adsorption.However,it is difficult for CO adsorption on the surface in one of the configurations with CO molecule in vertical direction but oxygen(O)is closer to the surface.Bader charge illustrates that the charge transfers from slab atoms to the 2π*antibonding orbital of CO molecule and particularly occurs in carbon(C)atoms.The time is less than 100 fs for the adsorptions that forms embryos with tilt upright in dynamics evolution.The density of states elucidates that the overlapping hybridization of C and O 2p orbitals is mainly formed via the d orbitals of uranium and molybdenum(Mo)atoms in the dissociation and re-adsorption of CO molecule.In conclusion,Mo doping of the surface can decelerate the adsorption and dissociation of CO molecules.A Mo-doped surface,created through ion injection,enhanced the resistance to uranium-induced surface corrosion.

关键词： Adsorption and dissociation Uranium CO molecule Density functional theory Ab initio molecular dynamics

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Perenniality:From model plants to applications in agriculture

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Molecular Plant 2024年第1期17卷 141-157页

作者： Bo Zhao jia-wei Wang National Key Laboratory of Plant Molecular Genetics CAS Center for Excellence in Molecular Plant Sciences(CEMPS)Institute of Plant Physiology and Ecology(SIPPE)Chinese Academy of Sciences(CAS)Shanghai 200032China School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China Key Laboratory of Plant Carbon Capture CASShanghai 200032China New Cornerstone Science Laboratory Shanghai 200032China

To compensate for their sessile nature,plants have evolved sophisticated mechanisms enabling them to adapt to ever-changing environments.One such prominent feature is the evolution of diverse life history strategies,particularly such that annuals reproduce once followed by seasonal death,while perennials live longer by cycling growth seasonally.This intrinsic phenology is primarily genetic and can be altered by environmental factors.Although evolutionary transitions between annual and perennial life history strategies are common,perennials account for most species in nature because they survive well under year-round stresses.This proportion,however,is reversed in agriculture.Hence,perennial crops promise to likewise protect and enhance the resilience of agricultural ecosystems in response to climate change.Despite significant endeavors that have been made to generate perennial crops,progress is slow because of barriers in studying perennials,and many developed species await further improvement.Recent findings in model species have illustrated that simply rewiring existing genetic networks can lead to lifestyle variation.This implies that engineering plant life history strategy can be achieved by manipulating only a few key genes.In this review,we summarize our current understanding of genetic basis of perenniality and discuss major questions and challenges that remain to be addressed.

关键词： perenniality developmental plasticity flowering time poplar Arabis alpina perennial crops life history strategy

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Activation of cerebral Ras-related C3 botulinum toxin substrate(Rac) 1 promotes post-ischemic stroke functional recovery in aged mice

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Neural Regeneration Research 2024年第4期19卷 881-886页

作者： Fan Bu jia-wei min Md Abdur Razzaque Ahmad El Hamamy Anthony Patrizz Li Qi Akihiko Urayama Jun Li Department of Neurology University of Texas Health Science Center Department of Neurology&Psychology The Fourth Clinical Medical College of Guangzhou University of Chinese Medicine

Brain functional impairment after stroke is common;however,the molecular mechanisms of post-stroke recovery remain unclear.It is well-recognized that age is the most important independent predictor of poor outcomes after stroke as older patients show poorer functional outcomes following stroke.Mounting evidence suggests that axonal regeneration and angiogenesis,the major forms of brain plasticity responsible for post-stroke recovery,diminished with advanced age.Previous studies suggest that Ras-related C3 botulinum toxin substrate(Rac)1 enhances stroke recovery as activation of Rac1 improved behavior recovery in a young mice stroke model.Here,we investigated the role of Rac1 signaling in long-term functional recovery and brain plasticity in an aged(male,18 to 22 months old C57BL/6J)brain after ischemic stroke.We found that as mice aged,Rac1 expression declined in the brain.Delayed overexpression of Rac1,using lentivirus encoding Rac1 injected day 1 after ischemic stroke,promoted cognitive(assessed using novel object recognition test)and sensorimotor(assessed using adhesive removal tests)recovery on days 14–28.This was accompanied by the increase of neurite and proliferative endothelial cells in the periinfarct zone assessed by immunostaining.In a reverse approach,pharmacological inhibition of Rac1 by intraperitoneal injection of Rac1 inhibitor NSC23766 for 14 successive days after ischemic stroke worsened the outcome with the reduction of neurite and proliferative endothelial cells.Furthermore,Rac1 inhibition reduced the activation of p21-activated kinase 1,the protein level of brain-derived neurotrophic factor,and increased the protein level of glial fibrillary acidic protein in the ischemic brain on day 28 after stroke.Our work provided insight into the mechanisms behind the diminished plasticity after cerebral ischemia in aged brains and identified Rac1 as a potential therapeutic target for improving functional recovery in the older adults after stroke.

关键词： aging angiogenesis brain-derived neurotrophic factor(BDNF) cerebral ischemia cognitive recovery neurite Pak1 Rac1 sensorimotor recovery

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Glial progenitor heterogeneity and plasticity in the adult spinal cord

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Neural Regeneration Research 2024年第12期19卷 2567-2568页

作者： Haichao wei jia Qian Wu Department of Neurosurgery McGovern Medical SchoolThe University of Texas Health Science Center at HoustonHoustonTXUSA Center for Stem Cell and Regenerative Medicine UT Brown Foundation Institute of Molecular MedicineHoustonTXUSA MD Anderson Cancer Center UTHealth Graduate School of Biomedical Sciences HoustonTXUSA

Glial progenitor cells were reported to have the capacity to generate various types of cells in both the central nervous system(CNS)and peripheral nervous system.Glial progenitor cells can respond to diverse environmental signals and transform into distinct populations,each serving specific functions.Notably,the adult spinal cord hosts various populations of glial progenitors,a region integral to the central nervous system.During development,glial progenitors express glial fibrillary acidic protein(GFAP;Dimou and Gotz,2014).However,the specific identities of GFAP-expressing progenitors in the adult spinal cord were not thoroughly investigated.

关键词： functions plasticity thoroughly

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Caveolin‑1 is critical for hepatic iron storage capacity in the development of nonalcoholic fatty liver disease

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Military Medical Research 2024年第2期11卷 206-227页

作者： Guang-Hui Deng Chao-Feng Wu Yun-jia Li Hao Shi wei-Chao Zhong Mu-Keng Hong Jun-Jie Li jia-min Zhao Chang Liu Meng-Chen Qin Zhi-Yun Zeng wei-min Zhang Ken Kin Lam Yung Zhi-Ping Lv Lei Gao Department of Gastroenterology Integrated Hospital of Traditional Chinese MedicineSouthern Medical UniversityGuangzhou 510315China School of Traditional Chinese Medicine Southern Medical UniversityGuangzhou 510515China Department of Hepatology Cancer CenterIntegrated Hospital of Traditional Chinese MedicineSouthern Medical UniversityGuangzhou 510315China Shenzhen Traditional Chinese Medicine Hospital Shenzhen 518033GuangdongChina Department of Biology Hong Kong Baptist UniversityKowloon TongKowloonHong Kong SAR 999077China

Background:Nonalcoholic fatty liver disease(NAFLD)is associated with disordered lipid and iron metabolism.Our previous study has substantiated the pivotal role of Caveolin-1(Cav-1)in protecting hepatocytes and mediating iron metabolism in the liver.This study aimed to explore the specific mechanisms underlying the regulation of iron metabolism by Cav-1 in NAFLD.Methods:Hepatocyte-specific Cav-1 overexpression mice and knockout mice were used in this study.Cav-1-knockdown of RAW264.7 cells and mouse primary hepatocytes were performed to verify the changes in vitro.Moreover,a high-fat diet and palmitic acid plus oleic acid treatment were utilized to construct a NAFLD model in vivo and in vitro,respectively,while a high-iron diet was used to construct an in vivo iron overload model.Besides,iron concentration,the expression of Cav-1 and iron metabolism-related proteins in liver tissue or serum were detected using iron assay kit,Prussian blue staining,Western blotting,immunofluorescence staining,immunohistochemical staining and ELISA.The related indicators of lipid metabolism and oxidative stress were evaluated by the corresponding reagent kit and staining.Results:Significant disorder of lipid and iron metabolism occurred in NAFLD.The expression of Cav-1 was decreased in NAFLD hepatocytes(P<0.05),accompanied by iron metabolism disorder.Cav-1 enhanced the iron storage capacity of hepatocytes by activating the ferritin light chain/ferritin heavy chain pathway in NAFLD,subsequently alleviating the oxidative stress induced by excess ferrous ions in the liver.Further,CD68^(+) CD163^(+) macrophages expressing Cav-1 were found to accelerate iron accumulation in the liver,which was contrary to the effect of Cav-1 in hepatocytes.Positive correlations were also observed between the serum Cav-1 concentration and the serum iron-related protein levels in NAFLD patients and healthy volunteers(P<0.05).Conclusions:These findings confirm that Cav-1 is an essential target protein that regulates iron and lipid metabolic homeostasis.It i

关键词： Caveolin-1 Nonalcoholic fatty liver disease Iron metabolism Ferritin Oxidative stress

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Advances of biomarkers in nasopharyngeal carcinoma’s early detection

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Science Bulletin 2024年第2期69卷 141-145页

作者： Xiao-Hui Zheng Allan Hildesheim wei-Hua jia State Key Laboratory of Oncology in South China Guangdong Key Laboratory of Nasopharyngeal Carcinoma Diagnosis and TherapyGuangdong Provincial Clinical Research Center for CancerSun Yat-sen University Cancer CenterGuangzhou 510060China Costa Rican Agency for Biomedical Investigation INCIENSA FoundationSan Jose 10108Costa Rica

Nasopharyngeal carcinoma(NPC),a highly invasive and metastatic cancer,is widely prevalent in South China,Southeast Asia,and North Africa.NPC patients with stages I and II are often asymptomatic.Therefore,NPC patients are usually diagnosed with advanced-stage(stages III and IV)at their first visit.Detection of NPC at early stage is the key to improve the survival of patients.Epstein-Barr virus(EBV)plays an essential role in NPC occurrence in endemic areas.EBV-based biomarkers,including EBV antibody in serum and EBV DNA in plasma,have been specifically proposed for NPC early detection.Herein,we summarize recent advances in biomarkers for the early detection of NPC.

关键词： patients nasopharyngeal Nasopharyngeal

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Enhance the Performance of Directional Feature-based Palmprint Recognition by Directional Response Stability Measurement

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Machine Intelligence Research 2024年第3期21卷 597-614页

作者： Haitao Wang wei jia School of Computer Science and Information Engineering Hefei University of TechnologyHefei230009China

Palmprint recognition is an emerging biometrics technology that has attracted increasing attention in recent years. Many palmprint recognition methods have been proposed, including traditional methods and deep learning-based methods. Among the traditional methods, the methods based on directional features are mainstream because they have high recognition rates and are robust to illumination changes and small noises. However, to date, in these methods, the stability of the palmprint directional response has not been deeply studied. In this paper, we analyse the problem of directional response instability in palmprint recognition methods based on directional feature. We then propose a novel palmprint directional response stability measurement (DRSM) to judge the stability of the directional feature of each pixel. After filtering the palmprint image with the filter bank, we design DRSM according to the relationship between the maximum response value and other response values for each pixel. Using DRSM, we can judge those pixels with unstable directional response and use a specially designed encoding mode related to a specific method. We insert the DRSM mechanism into seven classical methods based on directional feature, and conduct many experiments on six public palmprint databases. The experimental results show that the DRSM mechanism can effectively improve the performance of these methods. In the field of palmprint recognition, this work is the first in-depth study on the stability of the palmprint directional response, so this paper has strong reference value for research on palmprint recognition methods based on directional features.

关键词： Biometrics palmprint recognition directional response stability directional coding-based methods directional feature.

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Nitric oxide assists nitrogen reduction reaction on 2D MBene: A theoretical study

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Chinese Chemical Letters 2024年第5期35卷 428-433页

作者： Chaozheng He jia Wang Ling Fu wei wei Henan Engineering Center of New Energy Battery Materials College of Chemistry and Chemical EngineeringShangqiu Normal UniversityShangqiu 476000China School of Chemistry and Chemical Engineering Shandong Provincial Key Laboratory/Collaborative Innovation Center of Chemical Energy Storage&Novel Cell TechnologyLiaocheng UniversityLiaocheng 252059China Institute of Environment and Energy Catalysis Shaanxi Key Laboratory of Optoelectronic Functional Materials and DevicesSchool of Materials Science and Chemical EngineeringXi’an Technological UniversityXi’an 710021China College of Resources and Environmental Engineering Tianshui Normal UniversityTianshui 741001China

Electrocatalytic synthesis of ammonia as an environment-friendly and sustainable development method has received widespread attention in recent years.Two-dimensional(2D)materials are a promising catalyst for ammonia synthesis due to their large surface area.In this work,we have constructed a series of 2D metal borides(MBenes)with transition metal(TM)defects(TMd-MBenes)and comprehensively calculated the reactivity of electrocatalytic synthesis of ammonia-based on density functional theory.The results have demonstrated that the TMd-MBenes can effectively activate nitrogen oxide(NO)and nitrogen(N2)molecules thermodynamically.Particularly interesting,the co-chemisorption of O atoms,dissociated from NO,can facilitate the spilled of the inert N2 molecules into single N atoms,which can further hydrogenate into ammonia easily with an ultralow limiting potential of 0.59 V on TMd-MnB.Our research has not only provided clues for catalyst design for experimental study but also paved the way for the industrial application of electrocatalytic ammonia synthesis.

关键词： 2D mbenes Nitrogen electro-reduction DFT N_(2)activation Ammonia synthesis

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Is the Cape Stone Forest in Shantou City formed by wave erosion? A comparison of the pedestal rocks on the coasts and the mountains of Queshi in eastern Guangdong, China

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Journal of Mountain Science 2024年第5期21卷 1447-1463页

作者： CHEN min WANG wei School of Geography South China Normal UniversityGuangzhou 510631China

Cape Stone Forest is a group of granite rock pillars(pedestal rocks) towering over Shilin Lake, on the southern shore of Shantou Bay in eastern Guangdong, China. The rock pillars were previously identified as sea stacks because they have marine notch-like concave sidewalls at their base, and more importantly, the lake is immediately adjacent to the bay, which is exposed to the open sea. However, rock pillars similar in shape and size can also be found at the top of Queshi Mountain, which is only about 300 meters northwest of the lake and about 85 meters above sea level. Therefore, the marine origin of Cape Stone Forest is seriously questioned. In this study, 3D imagery and drone technology were used to collect data in the investigations without direct manual measurements in the water or on the mountain. It shows that the concave sidewalls of the rock pillars in the lake and on the mountains occur at different heights and are exposed to different directions, while a natural sea stack on Mayu Island at the mouth of Shantou Bay has a horizontal notch parallel to the sea level, although the granite rock of the sea stack is the same as that of the lake and the mountains. The eastern side of the island, where the sea stack is located, is exposed to the open sea but blocks large waves for the rock pillars in the lake. Therefore, the origin of Cape Stone Forest cannot be explained by wave-based mechanisms. The only satisfactory explanation that takes into account all the field evidence is that the narrow rock pillars of the lake and mountain were formed by chemical weathering that penetrated closely the spaced joints of the granite rock, and the notch-like concave sidewalls were formed by more effective chemical weathering at the base of the pillars.

关键词： Pedestal rock Granite Closely spaced joints Wave erosion Chemical weathering

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Changes in Spring Snow Cover over the Eastern and Western Tibetan Plateau and Their Associated Mechanism

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Advances in Atmospheric Sciences 2024年第5期41卷 959-973页

作者： Fangchi LIU Xiaojing jia wei DONG Key Laboratory of Geoscience Big Data and Deep Resource of Zhejiang Province School of Earth SciencesZhejiang UniversityHangzhouZhejiang 310058China

The spring snow cover(SC)over the western Tibetan Plateau(TP)(TPSC)(W_TPSC)and eastern TPSC(E_TPSC)have displayed remarkable decreasing and increasing trends,respectively,during 1985–2020.The current work investigates the possible mechanisms accounting for these distinct TPSC changes.Our results indicate that the decrease in W_TPSC is primarily attributed to rising temperatures,while the increase in E_TPSC is closely linked to enhanced precipitation.Local circulation analysis shows that the essential system responsible for the TPSC changes is a significant anticyclonic system centered over the northwestern TP.The anomalous descending motion and adiabatic heating linked to this anticyclone leads to warmer temperatures and consequent snowmelt over the western TP.Conversely,anomalous easterly winds along the southern flank of this anticyclone serve to transport additional moisture from the North Pacific,leading to an increase in snowfall over the eastern TP.Further analysis reveals that the anomalous anticyclone is associated with an atmospheric wave pattern that originates from upstream regions.Springtime warming of the subtropical North Atlantic(NA)sea surface temperature(SST)induces an atmospheric pattern resembling a wave train that travels eastward across the Eurasian continent before reaching the TP.Furthermore,the decline in winter sea ice(SIC)over the Barents Sea exerts a persistent warming influence on the atmosphere,inducing an anomalous atmospheric circulation that propagates southeastward and strengthens the northwest TP anticyclone in spring.Additionally,an enhancement of subtropical stationary waves has resulted in significant increases in easterly moisture fluxes over the coastal areas of East Asia,which further promotes more snowfall over eastern TP.

关键词： snow cover Tibetan Plateau long-term changes spring

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