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DFT investigation of half-metallic ferromagnetic rare earth based spinels MgHo_(2)Z_(4)(Z=S,Se)

Journal of Rare Earths 2024年第1期42卷 121-128,I0005页

作者： Maiza Zanib Mumtaz Manzoor n.A.noor M.Waqas Iqbal Mazia Asghar H.H.Hegazy A.Laref Department of Physics Riphah International UniversityLahore CampusPakistan Research Centre for Advanced Materials Science King Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics and Astronomy College of ScienceKing Saud UniversityRiyadh11451Saudi Arabia

Half-metallic ferromagnetism,mechanical as well as thermoelectric properties for rare earth-based spinels MgHo_(2)Z_(4)(Z=S,Se)were investigated using density functional theory(DFT).Structural optimization was done with Perdew-Burke-Ehrenzorf(PBE)sol-generalized gradient approximation(GGA)to calculate the lattice constant of both spinels comparable to experimental *** addition,Born stability criteria and negative formation energy show that our studied spinels are also structurally and dynamically stable in the cubic *** ferromagnetic(FM)state stability,we also calculated the energy differences among FM,antiferromagnetic(AFM),and non-magnetic(nM)***,Curie temperatures of ferromagnetic phases were also *** used Trans-Blaha improved BeckeJohnson(TB-mBJ)potential functional for electronics as well as magnetic characteristics,which lead to the consistent explanation of half-metallic ferromagnetism,representing the whole band-occupancy in material with exact detail of density of states(DOS).The stable FM state was examined in spinels due to the exchange splitting of Ho cation consisting of p-d hybridizations compatible with the result achieved for electronics band structure and ***,spin magnetic moment was explained in terms of anion,cation,and sharing charge on studied *** addition,the calculated thermoelectric properties clearly show that operation range of these systems may be utilized by future experimental works for identifying the potential applications of these systems.

关键词： Ho-based spinels DFT simulations Mechanical parameters Electronic properties HM ferromagnetism Figure of merit

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Distinct Electrical and Mechanical Responses of a Cu-10Fe Composite Prepared by Hot-Pressed Sintering and Post Treatment

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Acta Metallurgica Sinica(English Letters) 2024年第2期37卷 255-265页

作者： X.Y.Yue S.Y.Peng X.Zhang C.n.He Y.Z.Tian Key Laboratory for Anisotropy and Texture of Materials(Ministry of Education) School of Materials Science and EngineeringNortheastern UniversityShenyang110819China School of Materials Science and Engineering and Tianjin Key Laboratory of Composite and Functional Materials Tianjin UniversityTianjin300350China Research Centre for Metallic Wires Northeastern UniversityShenyang110819China

A Cu-10wt%Fe composite was prepared through hot-pressed sintering,and the material was subsequently solution *** hot-pressed sintered and solution treated materials were rolled and *** precipitation behavior and performance changes were systematically studied by using scanning electron microscopy and transmission electron *** contrast to the hot-pressed sintered specimen,the solution treatment significantly affects the thermal stability and properties of the Cu-10wt%Fe *** Cu-10wt%Fe composite was prepared after solid solution,cold rolling and aging at 773 K for 1 h,and it obtained excellent tensile strength of 494 MPa,uniform elongation of 16.3%,electrical conductivity of 51.1%IACS and softening temperature of 838 *** for the distinct difference in thermal stability and properties between hot-pressed sintered and solution treated specimens were *** findings provide a theoretical basis for designing high-performance Cu-based in-situ composites by post treatment.

关键词： Cu-Fe composite Hot-pressed sintering Thermal stability Strength Electrical conductivity

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Flat Zn deposition at battery anode via an ultrathin robust interlayer

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nano Research 2024年第9期17卷 8104-8111页

作者： Yizhou Wang Jianyu Chen Zibo Chen Qian He Zhengnan Tian Jin Zhao Yanwen Ma Husam n.Alshareef Materials Science and Engineering King Abdullah University of Science and Technology(KAUST)Thuwal 23955-6900Saudi Arabia State Key Laboratory of Organic Electronics and Information Displays(KLOEID)and Jiangsu Key Laboratory for Biosensors Institute of Advanced Materials(IAM)Nanjing University of Posts and TelecommunicationsNanjing 210023China Suzhou Vocational Institute of Industrial Technology Suzhou 215104China

Rechargeable aqueous zinc(Zn)ion batteries(AZIBs)using low-cost and safe Zn metal anodes are considered promising candidates for future grid-scale energy storage systems,but the Zn dendrite problem severely hinders the further prospects of *** Zn depositing behaviors toward horizontal alignment is highly effective and thus has received huge ***,such a strategy is usually based on previous substrate engineering,which requires complex preparation or expensive ***,it is essential to develop a novel solution that can realize horizontally aligned Zn flake deposition via easy operation and low ***,we report an ultrathin and robust Kevlar membrane as the interlayer to mechanically suppress Zn dendrite *** to the randomly distributed flaky dendrites in the control group,the deposited Zn sheets would grow into parallel alignment with the existence of such *** the dendrites are effectively suppressed,Zn||Cu asymmetric,Zn||Zn symmetric,and Zn||MnO_(2)full batteries using Kevlar interlayer deliver significantly improved cycling ***,the Zn||MnO_(2)pouch cell using a Kevlar interlayer delivers stable cycling performance and shows stable operation during multi-angle *** believe this work provides a new possibility for regulating Zn deposition from a crystallographic perspective.

关键词： Zn metal anodes Zn dendrites aqueous Zn ion batteries dendrite suppression (002)crystal plane

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Ion-conducting Membranes Based on Bacterial Cellulose nanofibers Modified by Poly(sodium acrylate-co-2-acrylamido-2-methylpropanesulfonic acid)

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Chinese Journal of Polymer Science 2024年第3期42卷 333-343,I0007页

作者： Elizaveta V.Batishcheva nikolay n.Smirnov natalya V.Bobrova maria P.Sokolova Michael A.Smirnov Institute of Macromolecular Compounds Russian Academy of SciencesBolshoy pr.31Saint Petersburg 199004Russia

Green method for preparation of ion-conducting membranes(ICM) based on bacterial cellulose nanofibers(CnF) modified by a copolymer of sodium acrylate and 2-acrylamido-2-methylpropanesulfonic acid was elaborated. FTIR and nMR data confirmed grafting of polyacrylate onto cellulose surface. Formation of porous structure of the ICM was controlled by SEM and AFM. The maximal ionic conductivity of the membranes reaches 1.5 and 3.1 mS·cm^(-1)(60 ℃ and 98% relative humidity) when they are saturated with water or H_2SO_4(1 mol·L^(-1)) electrolyte,respectively. Prepared ICM was tested as a separator in a symmetrical supercapacitor with electrodes based on polyaniline hydrogel. The assembled cell demonstrate ability to operate at high current density up to 100 A·g^(-1) maintaining specific capacitance 165 F·g^(-1). Maximal specific capacitance of 289 F·g^(-1) was achieved at current density 1 A·g^(-1). Retaining of 90% of initial capacitance after 10000 of charge-discharge cycles proves high electrochemical stability of prepared ICM.

关键词： Bacterial cellulose Ion conductivity Porous membrane Supercapacitor

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Ca-based materials derived from calcined cigarette butts for CO_(2)capture and thermochemical energy storage

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Journal of Environmental Sciences 2024年第6期140卷 230-241页

作者： nabil Amghar Virginia Moreno Pedro E.Sánchez-Jiménez Antonio Perejón Luis A.Pérez-Maqueda Instituto de Ciencia de Materiales de Sevilla C.S.I.C.-Universidad de SevillaC.Américo Vespucio4941092 SevillaSpain Instituto de Tecnología de Materiales(ITM) Universitat Politècnica de València(UPV)Plaza Ferrándiz y Carbonell 1AlcoyAlicante 03801Spain Departamento de Química Inorgánica Facultad de QuímicaUniversidad de Sevilla41012 SevillaSpain

Cigarette butts(CBs)are one of the most common types of litter in the *** to the toxic substances they contain,the waste generated poses a harmful risk to the environment,and therefore there is an urgent need for alternative solutions to landfill ***,this work presents a possible revalorization of this waste material,which implies interesting environmental *** were used as sacrificial templates for the preparation of CaO-based materials by impregnation with calcium and magnesium nitrates followed by flaming *** materials presented enhanced porosity for their use in the Calcium Looping process applied either to thermochemical energy storage or CO_(2)capture *** influence of the concentration of Ca and Mg in the impregnating solutions on the multicycle reactivity of the samples was *** improved multicycle performance was obtained in terms of conversion for both applications.

关键词： Cigarette butts Calcium-Looping CO_(2)Capture Thermochemical energy storage

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Mutated trimeric RBD vaccines:a platform against variants of concern

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Signal Transduction and Targeted Therapy 2023年第5期8卷 2038-2040页

作者： belén Aparicio Juan J.Lasarte Pablo Sarobe Programa de Inmunología e Inmunoterapia Centro de Investigación Médica Aplicada(CIMACCUN)Universidad de NavarraPamplona31008Spain Centro de Investigación Biomédica en Red de Enfermedades Hepáticas y Digestivas(CIBEREHD) Pamplona31008Spain IdiSnA Instituto de Investigación Sanitaria de NavarraPamplona31008Spain

He et *** reported in nature Communications1 the development of a protein vaccine against SASR-CoV-2 Omicron variant consisting of a trimer of the spike protein receptor-binding domain(RBD)of the Delta variant fused to heptad-repeat sequences 1 and *** vaccine induced broad-spectrum neutralizing antibodies and fully protected mice and non-human primates against challenge with live Delta and Omicron virus.

关键词： vaccine vaccines

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First 150 years of catatonia:Looking back at its complicated history and forward to the road ahead

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World Journal of Psychiatry 2024年第5期14卷 600-606页

作者： Levente Csihi Gabor S Ungvari Stanley n Caroff Gábor Gazdag Department of Psychiatry and Psychiatric Rehabilitation Jahn Ferenc South Pest HospitalBudapest 1204Hungary Division of Psychiatry School of MedicineUniversity of Western AustraliaCrawley 6009Western AustraliaAustralia Section of Psychiatry University of Notre DameFremantle 6160Western AustraliaAustralia Behavioral Health Service Corporal Michael J CresenczVeterans Affairs Medical CenterPhiladelphiaPA 19104United States Department of Psychiatry University of PennsylvaniaPerelman School of MedicinePhiladelphiaPA 19104United States Department of Psychiatry and Psychotherapy Faculty of MedicineSemmelweis UniversityBudapest 1083Hungary

Karl Ludwig Kahlbaum(1828-1899)was the first to conceptualize and describe the main clinical features of a novel psychiatric illness,which he termed catatonia in his groundbreaking monograph published 150 years *** Kahlbaum postulated catatonia as a separate disease entity characterized by psychomotor symptoms and a cyclical course,a close examination of his 26 cases reveals that most of them presented with motor symptom complexes or syndromes associated with various psychiatric and medical *** his classification system,Kraepelin categorized catatonic motor symptoms that occur in combination with psychotic symptoms and typically have a poor prognosis within his dementia praecox(schizophrenia)disease *** of the substantial influence of Kraepelin’s classification,catatonia was predominantly perceived as a component of schizophrenia for most of the 20th ***,with the advent of the psychopharmacotherapy era starting from the early 1950s,interest in catatonia in both clinical practice and research subsided until the early *** past two decades have witnessed a resurgence of interest in *** Diagnostic and Statistical Manual of Mental Disorders Fifth Edition,marked a paradigmatic shift by acknowledging that catatonia can occur secondary to various psychiatric and medical *** introduction of an independent diagnostic category termed“Catatonia not Otherwise Specified”significantly stimulated research in this *** authors briefly review the history and findings of recent catatonia research and highlight promising directions for future exploration.

关键词： Catatonia Historical overview Psychopharmacology Diagnostic and Statistical Manual of Mental Disorders-5 Wernicke-Kleist-Leonhard school

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A comprehensive review of genetic causes of obesity

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World Journal of Pediatrics 2024年第1期20卷 26-39页

作者： marcio Jose Concepcion-Zavaleta Juan Eduardo Quiroz-Aldave maria del Carmen Durand-Vasquez Elman Rolando Gamarra-Osorio Juan del Carmen Valencia de la Cruz Claudia Mercedes Barrueto-Callirgos Susan Luciana Puelles-Leon Elena de Jesus Alvarado-Leon Frans Leiva-Cabrera Francisca Elena Zavaleta-Gutierrez Luis Alberto Concepcion-Urteaga Jose Paz-Ibarra Universidad Cientifica del Sur Bolivar 2150 AvenuePueblo Libre15084LimaPeru Division of Medicine Hospital de Apoyo ChepénChepenPeru Division of Family Medicine Hospital de Apoyo ChepénChepenPeru Division of Endocrinology Hospital Victor Lazarte EchegarayTrujilloPeru Division of Pediatrics Hospital de Apoyo ChepenChepenPeru Division of Internal Medicine Hospital de Apoyo ChepenChepenPeru Division of Genetics Universidad Nacional de TrujilloTrujilloPeru Division of neonatology Hospital Belen de TrujilloTrujilloPeru Division of Internal Medicine Universidad Nacional de TrujilloTrujilloPeru Department of Medicine School of MedicineUniversidad Nacional Mayor de San MarcosLimaPeru

Background Obesity is a multifactorial chronic disease with a high,increasing worldwide *** causes account for 7%of the cases in children with extreme *** sources This narrative review was conducted by searching for papers published in the PubMed/MEDLInE,Embase and SciELO databases and included 161 *** search used the following search terms:"obesity","obesity and genetics","leptin","Prader-Willi syndrome",and"melanocortins".The types of studies included were systematic reviews,clinical trials,prospective cohort studies,cross-sectional and prospective studies,narrative reviews,and case *** The leptin-melanocortin pathway is primarily responsible for the regulation of appetite and body ***,several important aspects of the pathophysiology of obesity remain *** causes of obesity can be grouped into syndromic,monogenic,and polygenic causes and should be assessed in children with extreme obesity before the age of 5 years,hyperphagia,or a family history of extreme obesity.A microarray study,an analysis of the melanocortin type 4 receptor gene mutations and leptin levels should be performed for this *** are three therapeutic levels:lifestyle modifications,pharmacological treatment,and bariatric *** Genetic study technologies are in constant development;however,we are still far from having a personalized approach to genetic causes of obesity.A significant proportion of the affected individuals are associated with genetic causes;however,there are still barriers to its approach,as it continues to be underdiagnosed.

关键词： Leptin Melanocortin Obesity Prader-Willi syndrome Precision medicine

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Functional traits: the pathways to riverine plant resistance in times of hydropeaking

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Ecological Processes 2023年第4期12卷 242-273页

作者： Alejandro Baladrón maría Dolores Bejarano Isabel Boavida CERIS Civil Engineering Research and Innovation for Sustainability Instituto Superior Técnico Universidade de Lisboa natural Resources Department Universidad Politécnica de Madrid (UPM) Calle José Antonio Novais

Hydropeaking, which refers to rising or falling discharges caused by the turning on or off of hydro-turbines to generate electricity, is a topic of growing interest due to its impact on fluvial ecosystems. To date, most hydropeaking studies have focused on the impact of peak fluctuations on invertebrate and fish communities, but little attention has been paid to its impact on riverine plants and how functional traits may make them resistant to hydropeaking. We performed a review to assess how a set of 32 plant functional traits can be expressed in riverine plant species, and found evidence of how such expression affects their capacity to cope with common sources of hydropeaking disturbance(i.e., inundation, fast water drawdown, and rapid water fluctuations linked to up-ramping and downramping hydropeaking operations). The information here presented can simplify the evaluation of impacts on riverine plant communities worldwide, as well as to detect suitable species to successfully restore rivers affected by hydropower production.

关键词： Drought Flooding Waterlogging Hydropeaking Plant trait Riverine vegetation

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Different xylogenesis responses to atmospheric water demand contribute to species coexistence in a mixed pine–oak forest

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Journal of Forestry Research 2023年第1期34卷 51-62页

作者： marín Pompa-García J.Julio Camarero Michele Colangelo Facultad de Ciencias Forestales y Ambientales de la Universidad Juárez del Estado de Durango Río Papaloapan y Blvd.Durango S/N Col.Valle del SurDurangoMéxico Instituto Pirenaico de Ecología(IPE-CSIC) Avda.Montanna 1005ZaragozaSpain School of Agricultural ForestFood and Environmental SciencesUniv.BasilicataPotenzaItaly

Seasonal patterns of wood formation(xylogenesis)remain understudied in mixed pine-oak forests despite their contribution to tree coexistence through temporal niche *** was assessed in three pine species(Pinus cembroides,Pinus leiophylla,Pinus engelmannii)and one oak(Quercus grisea)coexisting in a semi-arid Mexican *** main xylogenesis phases(production of cambium cells,radial enlargement,cell-wall thickening and maturation)were related to climate data considering 5-15-day temporal *** pines,cambium activity maximized from mid-march to April as temperature and evaporation increased,whereas cell radial enlargement peaked from April to May and was constrained by high evaporation and low ***-wall thickening peaked from June to July and in August-September as maximum temperature and vapour pressure deficit(VPD)*** of earlywood and latewood tracheids occurred in May-June and June-July,enhanced by high minimum temperatures and VPD in *** and *** oak,cambial onset started in march,constrained by high minimum temperatures,and vessel radial enlargement and radial increment maximized in April as temperatures and evaporation increased,whereas early wood vessels matured from May to June as VPD ***,15-day wet conditions enhanced cell radial enlargement in *** and ***,whereas early-summer high 15-day temperature and VPD drove cell-wall thickening in *** night conditions and high evaporation rates during spring and summer enhanced *** earlier growth peak in oak and a higher responsiveness to spring-summer water demand in pines contributed to their coexistence.

关键词： Bimodal growth Drought Vapour pressure deficit Wood formation Xylem phenology

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