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Superexchange and charge transfer in the nickelate superconductor La_(3)Ni_(2)O_(7) under pressure

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Science China(Physics,Mechanics & Astronomy) 2024年第11期67卷 1-8页

作者： Wéi Wú Zhihui Luo dao-Xin Yao Meng Wang Center for Neutron Science and technology Guangdong Provincial Key Laboratory of Magnetoelectric Physics and DevicesSchool of PhysicsSun Yat-sen UniversityGuangzhou 510275China

Recently, a bulk nickelate superconductor La_(3)Ni_(2)O_(7) is discovered at pressures with a remarkable high transition temperature t_(c)~ 80 K. Here, we study a Hubbard model with tight-binding parameters derived from ab initio calculations of La_(3)Ni_(2)O_(7),by employing large scale determinant quantum Monte Carlo and cellular dynamical mean-field theory. Our result suggests that the superexchange couplings in this system are comparable to that of cuprates. the system is a charge transfer insulator as the hole concentration becomes four per site at large Hubbard U. Upon hole doping, two low-energy spin-singlet bands emerge in the system exhibiting distinct correlation properties: while the one composed of the out-of-plane Ni-d_(3z^(2)-r^(2)) and O-p_(z) orbitals demonstrates strong antiferromagnetic correlations and narrow effective bandwidth, the in-plane singlet band consisting of the Ni-d_(x^(2)-y^(2)) and O-p_(x)/p_(y) orbitals is in general more itinerant. Over a broad range of hole doping, the doped holes occupy primarily the d_(x^(2)-y^(2)) and p_(x)/p_(y) orbitals, whereas the d_(3z^(2)-r^(2)) and p_(z) orbitals retain underdoped. We propose an effective t-J model to capture the relevant physics and discuss the implications of our result for comprehending the La_(3)Ni_(2)O_(7) superconductivity.

关键词： superconductivity nickelate superconductors Hubbard model superexchange charge transfer insulator quantum Monte Carlo

Factors hindering the degradation of pharmaceuticals from human urine in an iron-activated persulfate system

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Journal of Environmental Sciences 2024年第1期135卷 130-148页

作者： Yiruiwen Xie dao Guan Yangfan Deng Yugo Sato Yu Luo Guanghao Chen Department of Civil and Environmental Engineering Water Technology LabHong Kong Branch of Chinese National Engineering Research Center for Control&Treatment of Heavy Metal PollutionThe Hong Kong University of Science&TechnologyHong Kong 999077China

this study investigated the degradation of clofibric acid(CFA),bezafibrate(BZF),and sulfamethoxazole(SMX)in synthetic human urine using a novel mesoporous iron powderactivated persulfate system(mFe-PS system),and identified the factors limiting their degradation in synthetic human urine.A kinetic model was established to expose the radical production in various reaction conditions,and experiments were conducted to verify the modeling *** the phosphate-containing mFe-PS system,the 120 min removal efficiency of CFA decreased from 95.1%to 76.6%as the phosphate concentration increased from 0.32 to 6.45 mmol/L,but recovered to 90.5%when phosphate concentration increased to 16.10 mmol/***,the increased concentration of phosphate from 0.32 to 16.10mmol/L reduced the BZF degradation efficacy from 91.5%to 79.0%,whereas SMX removal improved from 37.3%to 62.9%.the m Fe-PS system containing(bi)carbonate,from 4.20 to166.70 mmol/L,reduced CFA and BZF removal efficiencies from 100%to 76.8%and 80.4%,respectively,and SMX from 83.5%to 56.7%within a 120-min reaction *** addition,alkaline conditions(pH≥8.0)inhibited CFA and BZF degradations,while nonacidic pH(pH≥7.0)remarkably inhibited SMX *** of the kinetic model indicated the formation of phosphate(H_(2)PO_(4)^(·)/HPO_(4)^(·-))and/or carbonate radicals(CO_(3)^(·-))could limit pharmaceutical *** transformation products(tPs)of the pharmaceuticals revealed more incompletely oxidized tPs occurred in the phosphate-and(bi)carbonate-containing m Fe-PS systems,and indicated that H_(2)PO_(4)^(·)/HPO_(4)^(·-)mainly degraded pharmaceuticals via a benzene ring-opening reaction while CO_(3)^(·-)preferentially oxidized pharmaceuticals via a hydroxylation reaction.

关键词： Pharmaceutical degradation Human urine Iron-activated persulfate system Phosphate radicals Carbonate radicals transformation products

An isogeometric approach to free vibration analysis of bi-directional functionally graded porous doubly-curved shallow microshells with variable length-scale parameters

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Frontiers of Structural and Civil Engineering 2023年第12期17卷 1871-1894页

作者： Khuat duc DUONG dao Nhu MAI Phung Van MINH tran Van KE Faculty of Mechanical Engineering Hanoi University of IndustryHanoi 100000Vietnam Institute of Mechanics Vietnam Academy of Science and TechnologyHanoi 100000Vietnam Faculty of Mechanical Engineering Le Quy Don Technical UniversityHanoi 100000Vietnam

this study uses iso-geometric investigation,which is based on the non-uniform rational B-splines(NURBS)basis function,to investigate natural oscillation of bi-directional functionally graded porous(BFGP)doublycurved shallow microshells placed on Pasternak foundations with any boundary *** characteristics of the present material vary in both thickness and axial directions along the *** be more specific,a material length-scale coefficient of the microshell varies in both thickness and length directions as the material's mechanical *** is able to develop a differential equation system with varying coefficients that regulate the motion of BFGP double-curved shallow microshells by using Hamilton principle,Kirchhoff-Love hypothesis,and modified couple stress *** numerical findings are reported for thin microshells that are spherical,cylindrical,and hyperbolic paraboloidal,with a variety of planforms,including rectangles and *** validity and effectiveness of the established model are shown by comparing the numerical results given by the proposed formulations with previously published findings in many specific *** addition,influences of length scale parameters,power-law indexes,thickness-to-side ratio,and radius ratio on natural oscillation responses of BFGP microshells are investigated in detail.

关键词： Kirchhoff-Love's shell theory isogeometric analysis bi-directional functionally graded free vibration variable length-scale parameter

MMP-9 deficiency accelerates the progress of periodontitis

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Genes & Diseases 2024年第5期11卷 117-121页

作者： Chun-Yan Wan Yixin Yin Xiaoyan Li Meng Meng Liu Graham Goldman Li-An Wu Feng Wang dao-Shu Luo Zhuo Chen Wen-An Xu Stephen Chen Mary MacDougall Merry L.Lindsey Zhi Chen Shuo Chen Department of Endodontics The Affiliated Hospital of Qingdao UniversitySchool of StomatologyQingdao UniversityQingdaoShandong 266003China Department of Developmental Dentistry School of DentistryThe University of Texas Health Science Center at San AntonioSan AntonioTX 78229USA Oral Implantology Center Jinan Stomatological HospitalJinanShandong 250001China Department of Endodontics School and Hospital of StomatologyCheeloo College of MedicineShandong Key Laboratory of Oral Tissue RegenerationShandong Engineering Laboratory for Dental Materials and Oral Tissue RegenerationShandong UniversityJinanShandong 250012China Department of Pediatric Dentistry School of StomatologyThe Fourth Military Medical UniversityXi’anShaanxi 710032China Laboratory of Clinical Applied Anatomy Department of Human AnatomySchool of Basic Medical SciencesFujian Medical UniversityFuzhouFujian 350108China Key Laboratory for Oral Biomedical Research of Zhejiang Province Affiliated Hospital of StomatologyMedical CollegeZhejiang UniversityHangzhouZhejiang 310027China Department of Stomatology Nanfang HospitalSouthern Medical UniversityGuangzhouGuangdong 510515China UBC Faculty of Dentistry University of British ColumbiaVancouverBC V6T 1Z3Canada School of Graduate Studies and Research Meharry Medical College and Research BiologistResearch Service Nashville VA Medical CenterNashvilleTN 37208USA State Key Laboratory Breeding Base of Basic Science of Stomatology(Hubei-MOSt) Key Laboratory for Oral Biomedicine of Ministry of Education(KLOBM)School and Hospital of StomatologyWuhan UniversityWuhanHubei 430079China

Periodontitis is a chronic inflammatory disease caused by periodontopathic bacteria that affects periodontal support tissues.1 If left untreated,it results in loss of periodontal attachment and alveolar bone *** one-half of adults in the United States older than 30 years have periodontal disease.2 though the disease is initiated by bacterial infection,it activates host defense systems that eventually lead to the degradation of the *** periodontitis,the disease progress involves further production of pro-inflammatory mediators such as cytokines,proteolytic enzymes like matrix metalloproteinases(MMPs),and their inhibitors.

关键词： period eventually untreated

A new species Lobophora tsengii ***.(Dictyotales;Phaeophyceae)from Bach Long Vy(Bailongwei)Island,Vietnam

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Journal of Oceanology and Limnology 2021年第6期39卷 2363-2369页

作者： Zhongmin SUN Minh Dong dao Quoc toan tRAN duc tien DAM Department of Marine Organism taxonomy and Phylogeny Institute of OceanologyChinese Academy of SciencesQingdao 266071China University of Chinese Academy of Sciences Beijing 100049China Graduate University of Science and technology Vietnam Academy of Science and Technology(VAST)Hanoi 100000Vietnam Institute of Natural Products Chemistry Vietnam Academy of Science and Technology(VAST)Cau GiayHanoi 100000Vietnam Institute of Marine Environment and Resources(IMER) Vietnam Academy of Science and Technology(VAST)Haiphong 180000Vietnam Haiphong University of Medicine and Pharmacy Haiphong 180000Vietnam

A new species Lobophora tsengii is described from Bach Long Vy(Bailongwei)Island,Haiphong Province,*** plants inhabit the subtidal zone and have predominantly erect fan-shaped thalli that attach to the substrate by a basal *** thallus is commonly composed of a single layer of large medullary cells with four layers of cortical cells on either side of the *** newly collected specimens from the island are morphologically similar to those from Hainan Island,China,but differ from the New Caledonian ones in having thicker *** molecular phylogenetic analyses based on concatenated rbcL and cox3 s equences,the specimens from the island were 100%identical to those from Hainan Island,China,and they formed a clade separating from other Lobophora ***,based on analyses of numerous cox3 s equences,our specimens were also distinguished from the closely related taxa occurring in New Caledonia,Kenya,and West *** the morphological and molecular analyses,we conclude that our specimens represent a new species of Lobophora,which is apparently endemic to the Beibu Gulf(Gulf of tonkin)and adjacent waters.

关键词： Bach Long Vy(Bailongwei)Island cox3 Lobophora molecular phylogeny morphology rbcL

Spatiotemporal trend Analysis of Precipitation Extremes in Ho Chi Minh City, Vietnam During 1980–2017

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International Journal of Disaster Risk Science 2021年第1期12卷 131-146页

作者： Nguyen trong Quan dao Nguyen Khoi Nguyen Xuan Hoan Nguyen Ky Phung thanh duc Dang Faculty of Environmental and Food Engineering Nguyen Tat Thanh UniversityHo Chi Minh City 700000Vietnam Faculty of Environment University of ScienceHo Chi Minh City 700000Vietnam Vietnam National University Ho Chi Minh City 700000Vietnam Ho Chi Minh City University of Food Industry Ho Chi Minh City 700000Vietnam Institute for Computational Science and technology Ho Chi Minh City 700000Vietnam Engineering Systems and Design Pillar Singapore University of Technology and DesignTampines 487372Singapore

In this study,the spatiotemporal variability of trends in extreme precipitation events in Ho Chi Minh City during the period 1980–2017 was analyzed based on several core extreme precipitation indices(Rx1 day,Rx5 day,CDD,CWD,R20 mm,R25 mm,R95 p,and SDII).the nonparametric Mann–Kendall and Sen’s slope methods were used to compute the statistical strength,stability,and magnitude of trends in annual rainfall,as well as the extreme precipitation *** found that 64%of the stations had statistically significant upward trends in yearly rainfall,with high magnitudes frequently observed in the northern and southern regions of the *** the extreme precipitation indices,only SDII and R25 mm showed dominantly significant ***,there were increasing trends in the frequency and duration at the southern and central regions of the city during the study ***,El Ni?o-Southern Oscillation and Pacific Decadal Oscillation positively correlated with the duration and negatively correlated with the intensity and frequency of extreme ***,water management plans should be adjusted appropriately to reduce the severe impacts of precipitation extremes on communities and ecosystems.

关键词： Spatiotemporal trend Extreme precipitation Extreme precipitation indices Ho Chi Minh City

基于序列注意力和局部相位引导的骨超声图像分割网络

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自动化学报 2024年第5期50卷 970-979页

作者：陈芳张道强廖洪恩赵喆南京航空航天大学计算机科学与技术学院南京211106 清华大学医学院北京100084 清华大学附属北京清华长庚医院骨科与运动医学中心北京102218

在超声辅助的骨科手术导航中,需要从采集的超声图像序列中精确分割出骨结构,并展示给医生,来辅助医生进行术中决策.但是,图像噪声、成像伪影以及模糊的骨边界导致从超声图像序列中精确分割提取骨结构十分困难.为解决该问题,提出一种新... 详细信息

在超声辅助的骨科手术导航中,需要从采集的超声图像序列中精确分割出骨结构,并展示给医生,来辅助医生进行术中决策.但是,图像噪声、成像伪影以及模糊的骨边界导致从超声图像序列中精确分割提取骨结构十分困难.为解决该问题,提出一种新的基于序列注意力与局部相位引导的骨超声图像分割网络.该网络一方面自适应地利用超声序列帧之间的关系即序列注意力来辅助骨结构的语义分割.另一方面,该网络通过引入局部相位引导模块,突出骨边缘信息,进一步提高分割精度.利用包含19050幅图像的骨超声数据集,进行交叉实验、消融实验并与最新的超声骨分割方法进行比较.实验结果表明所提方法对骨结构分割精度高,优于现有的超声骨分割方法.

关键词：骨科导航超声图像分割局部相位序列注意力

Dysfunction of the adhesion G protein-coupled receptor latrophilin 1(ADGRL1/LPHN1)increases the risk of obesity

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Signal transduction and targeted therapy 2024年第5期9卷 2298-2311页

作者： Heba Zabritorsten Schöneberg AndréNguyen Dietzsch Hadi Al-Hasani Joachim Altschmied Katharina Bottermann Jana Brendler Judith Haendeler Susanne Horn Isabell Kaczmarek Antje Körner Kerstin Krause Kathrin Landgraf Diana Le duc Laura Lehmann Stefan Lehr Stephanie Pick Albert Ricken Rene Schnorr Angela Schulz Martina Strnadová Akhil Velluva Heba Zabri torsten Schöneberg Doreen thor Simone Prömel Rudolf Schönheimer Institute of Biochemistry Medical FacultyLeipzig UniversityLeipzigGermany Institute for Clinical Biochemistry and Pathobiochemistry Medical FacultyGerman Diabetes CenterLeibniz Center for Diabetes Research at Heinrich Heine University DüsseldorfDüsseldorfGermany German Center for Diabetes Research(DZD e.V.) Munich-NeuherbergGermany Cardiovascular Degeneration Clinical Chemistry and Laboratory DiagnosticsMedical FacultyUniversity Hospital and Heinrich Heine University DüsseldorfDüsseldorfGermany Cardiovascular Research Institute(CARID) Medical FacultyUniversity Hospital and Heinrich Heine University DüsseldorfDüsseldorfGermany Institute of Pharmacology Medical FacultyUniversity Hospital and Heinrich Heine University DüsseldorfDüsseldorfGermany Institute of Anatomy Medical FacultyLeipzig UniversityLeipzigGermany Center for Pediatric Research Hospital for Children and AdolescentsMedical FacultyLeipzig UniversityLeipzigGermany Helmholtz Institute for Metabolic Obesity and Vascular Research(HI-MAG)of the Helmholtz Zentrum München at the University of Leipzig and University Hospital LeipzigLeipzigGermany Department of Endocrinology NephrologyRheumatologyLeipzig University Medical CenterLeipzigGermany Institute of Human Genetics Leipzig University Medical CenterLeipzigGermany Institute of Cell Biology Department of BiologyHeinrich Heine University DüsseldorfDüsseldorfGermany School of Medicine University of Global Health EquityKigaliRwanda

Obesity is one of the diseases with severe health consequences and rapidly increasing worldwide *** the complex network of food intake and energy balance regulation is an essential prerequisite for pharmacological intervention with obesity.G protein-coupled receptors(GPCRs)are among the main modulators of metabolism and energy ***,for instance,regulate appetite and satiety in certain hypothalamic neurons,as well as glucose and lipid metabolism and hormone secretion from *** in some GPCRs,such as the melanocortin receptor type 4(MC4R),have been associated with early-onset ***,we identified the adhesion GPCR latrophilin 1(ADGRL1/LPHN1)as a member of the regulating network governing food intake and the maintenance of energy *** of the highly conserved receptor in mice results in increased food consumption and severe obesity,accompanied by dysregulation of glucose ***,we identified a partially inactivating mutation in human ADGRL1/LPHN1 in a patient suffering from ***,we propose that LPHN1 dysfunction is a risk factor for obesity development.

关键词： obesity metabolism intake

猴痘病毒相关蛋白A42R的生物信息学及分子对接分析

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中国病原生物学杂志 2024年第1期19卷 1-9页

作者：王道刘文彬宋甜中南大学湘雅二医院妇产科湖南长沙410011 湖南师范大学生命科学学院

目的通过生物信息学及分子对接分析以了解猴痘病毒(monkeypox virus, MPXV)相关蛋白A42R的结构特征、抗原表位以及小分子抑制物。方法利用生物信息学和分子对接技术对MPXV A42R蛋白的开放阅读框、蛋白同源性、理化性质、翻译后修饰位... 详细信息

目的通过生物信息学及分子对接分析以了解猴痘病毒(monkeypox virus, MPXV)相关蛋白A42R的结构特征、抗原表位以及小分子抑制物。方法利用生物信息学和分子对接技术对MPXV A42R蛋白的开放阅读框、蛋白同源性、理化性质、翻译后修饰位点、二级/三级结构、B/t细胞抗原表位、配体结合位点以及小分子化合物等进行预测分析。结果 A42R蛋白由133个氨基酸组成,分子质量为15.003 42 ku,理论等电点9.36。该蛋白与天花病毒、骆驼痘病毒、痘苗病毒、牛痘病毒的序列一致性高,而且与天花病毒有最近的共同祖先。A42R蛋白以不规则卷曲为主要结构,属于亲水性蛋白;含有2个O-糖基化位点、1个N-糖基化位点和14个磷酸化位点;含有5个B细胞抗原表位,23个CLt细胞抗原表位,16个th细胞抗原表位,6个抗原决定簇;含有8个可能的配体结合区,10个潜在的分子化合物。结论 A42R为亲水性蛋白,含有丰富的B、t细胞抗原表位和配体结合区,可为抗猴痘病毒药物和疫苗的设计与开发提供参考。

关键词：猴痘病毒 A42R蛋白生物信息学分子结构抗原表位