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A First-principles Study on the Adhesion Strength,Interfacial Stability,and Electronic Properties of Mg/Mg_(2)y Interface

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Acta Metallurg.c. Sinica(English Letters) 2024年第3期37卷 537-550页

作者： yunxuan zhou Wenjun Tian Quan dong hailian Wang Jun Tan xianhua chen Kaihong Zheng Fusheng Pan college of Materials Science and Engineering National Engineering Research Center for Magnesium AlloysChongqing UniversityChongqing 400044China State Key Laboratory of Mechanical Transmission Chongqing UniversityChongqing 400044China Institute of New Materials Guangdong Academy of SciencesGuangzhou 510650China

The interfacial microstructures and configurations directly affect the comprehensive properties of the composites,but their interfacial adhesion mechanism is complicated to expound by experimental *** this work,based on the stacking sequence of the Mg/Mg_(2)y interface models,nine different Mg/Mg_(2)y interface configurations with top site,bridge site,and hollow site(hcP)under Mg1,Mg_(2),and y terminations were successfully constructed and systematically explored by first-principles *** results showed that the Mg_(2)y(0001)surface with y termination is the most stable when the yttrium chemical potential()is less than-1.09 eV;otherwise,Mg_(2)y(0001)surface with Mg1 termination is the most *** seven-layer Mg(0001)and eleven-layer Mg_(2)y(0001)slabs are employed to reflect the bulk-like interior ***,the Mg(0001)/Mg_(2)y(0001)with the y.h.P stacking has the largest interface thermodynamic stability with the value of 2.383 J/m^(2) in all interface configurations owing to its largest work of *** addition,the interfacial energy of y.h.P stacking is significantly smaller than those of Mg1-hcP when is approximately less than-0.55 eV,showing that it is more *** thermodynamic stability of Mg/Mg_(2)y with y.h.P is due to Mg-y chemical bonds formed between Mg and y ***,the Mg/Mg_(2)y interfaces are strong interfaces based on the griffith fracture theory.

关键词： Mg/Mg_(2)y interface Interface stability Work of adhesion Electronic structure First-principles calculations

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Antigen-specific mRNA lipid nanoparticle platforms for the prevention and treatment of allergy and autoimmune diseases

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bMEMat(bioMedical Engineering Materials) 2024年第2期2卷 61-68页

作者： Emma y.yim Amanda c.zhou yvonne c.yim xiang Wang Tian xia Department of Molecular Cell and Developmental BiologyUniversity of CaliforniaLos AngelesUSA Department of bioengineering University of CaliforniaLos AngelesUSA Department of chemistry and biochemistry University of CaliforniaLos AngelesUSA Division of NanoMedicine Department of MedicineCenter for Environmental Implications of Nanotechnology(UC CEIN)California NanoSystems InstituteUniversity of CaliforniaLos AngelesUSA

While most nanomedicines primarily aim to stimulate the immune system against infections or tumors,there is a growing demand for inducing immune tolerance under certain conditions,such as allerg.c.and autoimmune *** have explored nanotechnology-based strategies to induce immune tolerance in a targeted and specific *** approach involves the use of nanoparticles(NPs)to encapsulate immunosuppressive drugs and/or antigens to educate naïve T cells and promote the generation of antigen-specific regulatory T cells that inhibit immune ***,this approach has certain *** hydrophobicity of proteins or peptides restricts the degree to which they can be encapsulated in NPs,which in turn,affects their loading efficiency and treatment *** the emergence of mRNA lipid nanoparticle(LNP)platforms,there is the possibility of overcoming the limitations of protein and peptide *** date,mRNA LNP systems have been shown to provide organ,cellular,and subcellular targeting for the induction of immune *** method of drug delivery is flex.b.e and scalable that can be customized for a specific patient,resulting in an effective means of administering relevant proteins or epitopes to induce antigen-specific immune *** continued research and development,this technology could offer a safer and more effective alternative to current therapies,ultimately improving the quality of life of patients worldwide.

关键词： allergy autoimmune diseases immune tolerance mRNA lipid nanoparticle nanomedicine

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ground-state mass of ^(22)Al and test of state-of-the-art ab initio calculations

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chinese Physics c 2024年第3期48卷 72-78页

作者：孙铭泽于越王新鹏王猛李健国张玉虎 K.blaum 陈祖毅陈瑞九邓涵宇付超义葛文文黄文嘉焦红扬李红蕙李宏福罗胤芳廖挺 yuALitvinov 司敏帅鹏史金阳王茜邢元明徐星徐瑚珊许甫荣袁琪 T.yamag.c.i 颜鑫亮杨建成原有进周小红周旭张敏曾奇 cAS Key Laboratory of high Precision Nuclear Spectroscopy Institute of Modern PhysicsChinese Academy of SciencesLanzhou 730000China School of Nuclear Science and Technology University of Chinese Academy of SciencesBeijing 100049China Max-Planck-Institut für Kernphysik Saupfercheckweg 169117 HeidelbergGermany gSI helmholtzzentrum für Schwerionenforschung Planckstraße 164291 DarmstadtGermany Advanced Energy Science and Technology guangdong Laboratory Huizhou516007China State Key Laboratory of Nuclear Physics and Technology School of PhysicsPeking UniversityBeijing 100871China Department of Physics Saitama UniversitySaitama 338-8570Japan School of Nuclear Science and Engineering East China University of TechnologyNanchang 330013China

The ground-state mass excess of the T_(z)=−2 drip-line nucleus ^(22)Al is measured for the first time as 18103(10)keV using the newly-developed bρ-defined isochronous mass spectrometry method at the cooler storage ring in *** new mass excess value allowed us to determine the excitation energies of the two low-lying 1+states in ^(22)Al with significantly reduced uncertainties of 51 *** compared to the analogue states in its mirror nucleus ^(22)F,the mirror energy differences of the two 1^(+)states in the ^(22)Al-^(22)F mirror pair are determined to be−625(51)keV and−330(51)*** excitation energies and mirror energy differences are used to test the state-of-the-art ab initio valence-space in-medium similarity renormalization group calculations with four sets of interactions derived from the chiral effective field *** mechanism leading to the large mirror energy differences is investigated and attributed to the occupation of theπs_(1/2) orbital.

关键词： nuclear mass bρ-defined IMS mirror energy difference ab initio VS-IMSRg.c.lculations chiral interactions

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bioinspired directional structures for inhibiting wetting on super-melt-philic surfaces above 1200°c

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International Journal of Extreme Manufacturing 2024年第4期6卷 337-346页

作者： hujun Wang xiuyuan Zhao Zhengcan xie biao yang Jing Zheng Kai yin Zhongrong zhou Tribology Research Institute State Key Laboratory of Rail Transit Vehicle SystemSchool of Mechanical EngineeringSouthwest Jiaotong UniversityChengdu 610031People's Republic of China hunan Key Laboratory of Nanophotonics and Devices School of PhysicsCentral South UniversityChangsha 410083People's Republic of China

Over the past two decades,superhydrophobic surfaces that are easily created have aroused considerable attention for their superior performances in various applications at room ***,there is a growing demand in special fields for the development of surfaces that can resist wetting by.h.gh-temperature molten droplets(>1200°c)using facile design and fabrication ***,bioinspired directional structures(bDSs)were prepared on y2O3-stabilized ZrO2(ySZ)surfaces using femtosecond laser *** from the anisotropic energy barriers,the bDSs featured with no additional modifiers showed a remarkable increase from 9.2°to 60°in the contact angle of caO–MgO–Al2O3–SiO2(cMAS)melt and a 70.1%reduction in the spreading area of cMAS at 1250°c,compared with polished super-cMAS-melt-philic ySZ ***,the bDSs demonstrated exceptional wetting inhibition even at 1400°c,with an increase from 3.3°to 31.3°in contact angle and a 67.9%decrease in spreading *** work provides valuable insight and a facile preparation strategy for effectively inhibiting the wetting of molten droplets on super-melt-philic surfaces at extremely.h.gh temperatures.

关键词： directional structures bioinspired design inhibiting wetting super-melt-philic superhydrophobic

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Syntheses of new di-nuclear and tetra-nuclear lanthanide 9-anthracenecarboxylates:Magnetocaloric effect,slow magnetic relaxation and luminescent properties

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Journal of Rare Earths 2024年第6期42卷 1101-1109,I0004页

作者： xing Liu Ruonan yang Lu Zhang Jian zhou chunmei huang huahong Zou Zunhong xiao chongqing Key Laboratory of Inorganic Functional Materials College of ChemistryChongqing Normal UniversityChongqing401331China Key Laboratory for the chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of china) School of Chemistry and Chemical Engineering of Guangxi Normal UniversityGuilin541004China School of chemistry and Materials Guizhou Normal UniversityGuiyang550025China

Lanthanide complex.b.sed materials with magnetic and luminescent properties have received a great deal of attention,owing to their importantly potential applications in diverse *** this work,the 9-anthracenecarboxylic acid(9-haca)as bridging ligand was applied in combination with optically activeπ-conjugated 2,4,6-tri(2-pyridyl)-1,3,5-triazine(tptz)to construct a series of new di-nuclear and tetranuclear lanthanide 9-anthracenecarboxylates[La_(2)(9-aca)_(6)(tptz)_(2)(μ-h_(2)O)]·0.25h_(2)O(1),[Ln_(2)(9-aca)_(6)(tptz)_(2)(h_(2)O)_(2)]·0.5AQ·ch_(3)cOOh_(2)h_(2)O[Ln=Sm(2a),Eu(2b),gd(2c),Tb(2d),Dy(2e),Tm(2f);AQ=9,10-anthracenedione]and[Ln_(4)(9-aca)_(10)(tptz)_(2)(ch3cOO)2]·h_(2)O[Ln=Eu(3a),gd(3b),Dy(3c)].1 displays a di-nuclear centrosymmetric moiety[La_(2)(9-aca)_(6)(tptz)_(2)(μ-h_(2)O)]built up from two complex[La(9-aca)_(2)(tptz)]groups bridged by one h_(2)O molecule and two syn-syn-μ2-η1:η1-9-aca-bridging ligands,while 2a-2f are isostructural and co mprise another di-nuclear centrosymmetric moieties[Ln_(2)(9-aca)_(6)(tptz)_(2)(h_(2)O)_(2)]based on two complex[Ln(9-aca)_(2)(tptz)(h_(2)O)]groups connected by two syn-syn-μ2-η1:η1-9-aca-bridging ligands,3a-3c are isostructural and show tetra-nuclear centro symmetric moieties[Ln4(9-aca)10(tptz)2(ch3cOO)2]containing three types of coordination modes of *** present compounds offer the only examples of lanthanide 9-anthracenecarboxylates decorated by optically active *** investigations of 2a,2c-2f,and 3b-3c indicate that 3c is typical of slow relaxation of the magnetization,while 2c and 3b show significant magnetocaloric effect(McE)with the value of-ΔSm of 5.26 J/(kg·K)at 4 K and 15.65 J/(kg·K)at 2 K(Δh=7 T),*** luminescent properties were also studied and reveal that the characteristic luminescent properties of the 7r-conjugated aromatic ligands are introduced into magnetic lanthanide 9-anthracenecarboxylates,simultaneously exhibiting slow magnetic relaxation(or McE)and luminescen

关键词： Lanthanide complexes Luminescence Magnetic properties Magnetocaloric effect Slow magnetic relaxation Rare earths

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First-principles calculation on the electronic structures, phonon dynamics, and electrical conductivities of Pb_(10)(PO_(4))_(6O) and Pb_(9)cu(PO_(4))_(6O) compounds

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Journal of Materials Science & Technology 2024年第6期173卷 218-224页

作者： L.y.h.o E.g.Fu State Key Laboratory of Nuclear Physics and Technology Department of Technical PhysicsSchool of PhysicsPeking UniversityBeijing 100871China

Superconducting materials with high critical temperature have the potential to revolutionize many fields,including military,electronic communications,and power ***,scientists around the world have been tirelessly working with the ultimate goal of achieving high-temperature *** 2023,a preprint by Lee et *** South Korea claimed the discovery of ultra-high-temperature superconductivity with a critical temperature of up to 423 K in cu-doped lead-apatite(LK-99)(arxiv:2307.12008,arxiv:2307.12037),which caused a worldwide sensation and ***,the electronic structures,phonon dynamics,and electrical conductivities of LK-99 and its parent compound lead-apatite have been calculated using first-principles *** results show that the lead-apatite compound and the LK-99 compound are insulator and half-metal *** flat band characteristic is consistent with previous *** electrical conductivity of the LK-99 compound shows two extreme points,and the electrical conductivity along the c-axis increases significantly after 400 *** phonon dispersion spectra of the compounds were investigated,demonstrating their dynamic instability.

关键词： Superconductivity LK-99 Lead-apatite First-principles calculation

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Structural insights into the Oryza sativa cation transporters hKTs in salt tolerance

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Journal of Integrative Plant biology 2024年第4期66卷 700-708页

作者： Ran gao yutian Jia xia xu Peng Fu Jiaqi zhou guanghui yang State Key Laboratory of Plant Environmental Resilience Frontiers Science Center for Molecular Design BreedingCollege of Biological SciencesChina Agricultural UniversityBeijing 100193China

The high-affinity potassium transporters(hKTs),selectively permeable to either Na^(+)alone or Na^(+)/K^(+),play pivotal roles in maintaining plant Na^(+)/K^(+)*** their involvement in salt tolerance is widely reported,the molecular underpinnings of Oryza sativa hKTs remain *** this study,we elucidate the structures of OshKT1;1 and OshKT2;1,representing two distinct classes of rice *** dimeric assembled OshKTs can be structurally divided into four *** the dimer interface,a half-helix or a loop in the third domain is coordinated by the c-terminal region of the opposite ***,we present the structures of OshKT1;5 salt-tolerant and salt-sensitive variants,a key quantitative trait locus associated with salt *** salt-tolerant variant of OshKT1;5 exhibits enhanced Na^(+)transport capability and displays a more flex.b.e *** findings shed light on the molecular basis of rice hKTs and provide insights into their role in salt tolerance.

关键词： hKT salt-tolerant structure

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Rapid development of double-hit mRNA antibody cocktail against orthopoxviruses

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Signal Transduction and Targeted Therapy 2024年第4期9卷 1768-1776页

作者： hang.c.i Suo-Qun Zhao Ru-yi chen xing-xing Suo Rong-Rong Zhang Wen-hui yang dong-Sheng zhou Min Fang bo ying yong-Qiang Deng.c.eng-Feng Qin State Key Laboratory of Pathogen and biosecurity Beijing Institute of Microbiology and EpidemiologyAMMS100071BeijingChina college of Life Sciences Inner Mongolia Agricultural UniversityHohhot010018Inner MongoliaChina School of Life Sciences Henan UniversityKaifeng475004HenanChina Suzhou Abogen biosciences co. LtdSuzhou215123JiangsuChina Research Unit of Discovery and Tracing of Natural Focus Diseases Chinese Academy of Medical Sciences100071BeijingChina

The Orthopoxvirus genus,especially variola virus(VARV),monkeypox virus(MPxV),remains a significant public health threat *** development of therapeutic antibodies against orthopoxviruses is largely.h.mpered by the high cost of antibody engineering and manufacturing ***-encoded antibodies have emerged as a powerful and universal platform for rapid antibody ***,by using the established lipid nanoparticle(LNP)-encapsulated mRNA platform,we constructed four mRNA combinations that encode monoclonal antibodies with broad neutralization activities against *** vivo characterization demonstrated that a single intravenous injection of each LNP-encapsulated mRNA antibody in mice resulted in the rapid production of neutralizing *** importantly,mRNA antibody treatments showed significant protection from weight loss and mortality in the vaccinia virus(VAcV)lethal challenge mouse model,and a unique mRNA antibody cocktail,Mix2a,exhibited superior in vivo protection by targeting both intracellular mature virus(IMV)-form and extracellular enveloped virus(EEV)-form *** summary,our results demonstrate the proof-of-concept production of orthopoxvirus antibodies via the LNP-mRNA platform,highlighting the great potential of tailored mRNA antibody combinations as a universal strategy to combat orthopoxvirus as well as otheremerging viruses.

关键词： proof universal neutral

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Rescattering of stimulated Raman side scattering in nonuniform plasmas

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Matter and Radiation at Extremes 2024年第5期9卷 68-76页

作者： S.Tan Q.Wang y.chen W.b.yao c.Z.xiao J.F.Myatt School of Physics and Electronics Hunan UniversityChangsha 410082China Institute of Applied Physics and computational Mathematics Beijing 100094China School of Electrical and Information Engineering Anhui University of Science and TechnologyHuainanAnhui 232001China Department of Electrical and computer Engineering University of Alberta9211116 St.NWEdmontonAlberta T6G 1H9Canada

Rescattering of stimulated Raman side scattering(SRSS)is observed for the first time via two-dimensional(2D)particle-in-cell(PIc)*** construct a theoretical model for the rescattering process,which can predict the region of occurrence of mth-order SRSS and estimate its *** rescattering process is identified by the 2D PIc simulations under typical conditions of a direct-drive inertial confinement fusion *** electrons produced by second-order SRSS propagate nearly perpendicular to the density gradient and gain nearly the same energy as in first-order SRSS,but there is no cascade acceleration to produce superhot *** studies for a wide range of ignition conditions show that SRSS and associated rescatterings are robust and important processes in inertial confinement fusion.

关键词： nonuniform acceleration scattering

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Four New Terpyridine complexes based Polyoxometalates with[W_(10)O_(32)]^(4-) Anions as high-Efficiency Dual-Site catalysis for Thioether Oxidation Reaction

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chinese Journal of chemistry 2024年第6期42卷 592-598页

作者： yin Zhang Wei-dong yu Fang-Qian Wang xiangnan Wang Jiawan zhou chao Liu Jun yan Junior Education Department Changsha Normal UniversityChangshaHunan410100 China School of Science Hunan University of Technology and BusinessChangshaHunan410000 China college of chemistry and chemical Engineering Central South UniversityChangshaHunan410000 China

Polyoxometalates modified with complex cations have attracted increasing attention because of the fascinating properties and the controllable *** adjusting the synthesis conditions,four new terpyridine complexes based hybrid POMs,[(TPy.h.cucl]_(4)[W_(10)O_(32)]·2DMF·2h_(2)O(1),[(TPy.h.cu(DMSO)(h_(2)O)]_(2)[W_(10)O_(32)]·2h_(2)O(2),[(TPy.h._(2)cu]_(2)[W_(10)O_(32)]·6DMSO·8h_(2)O(3) and[(TPy-br)cucl(DMSO)(h_(2)O)]_(2)[(TPy-br)cucl]_(2)[W_(10)O_(32)]·2DMSO·4h_(2)O(4),were prepared by using‘one-pot’***-crystal x-ray diffraction analyses,infrared radiation,etc.,revealed the structural composition of compounds 1—4,which indicates that synthesis conditions have a directional regulatory effect on the compounds *** oxidation catalytic reactions show 1—4 have good catalytic activities,and powder x-ray diffraction and thermogravimetry analysis show 1—4 have superduper catalytic ***,4 has better catalytic activity because of the different structure of terpyridine ***,a possible mechanism of dual-site catalysis by both cations and anions is proposed.

关键词： Polyoxometalates Terpyridine complexes Thioether oxidation Dual-site catalysis clusters

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