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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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Detailed analysis of the relativistic configuration of Bardeen anisotropic spheres in modified f(G)gravity

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Communications in Theoretical Physics 2024年第6期76卷 45-56页

作者： Adnan Malik Ayesha Almas Tayyaba Naz Rubab manzoor M Z Bhatti school of Mathematical sciences Zhejiang Normal UniversityJinhuaZhejiangChina Department of Mathematics University of Management and TechnologySialkot CampusLahorePakistan National University of Computer and Emerging sciences Lahore CampusPakistan Department of Mathematics University of Management and TechnologyJohar Town CampusLahore 54782Pakistan Department of Mathematics University of the PunjabQuaid-i-Azam CampusLahore-54590Pakistan

The aim of this work is to investigate anisotropic compact objects within the framework of f(G)modified theory of *** our present work,we utilize Krori-Barua metrics,i.e.,λ(r)=Xr^(2)+Y andβ(r)=Zr^(2).We use some matching conditions of spherically symmetric spacetime with Bardeen's model as an exterior ***,we establish some expressions of energy density and pressure components to analyze the stellar configuration of Bardeen compact stars by assuming viable f(G)*** examine the energy conditions for different stellar structures to verify the viability of our considered ***,we also investigate some other physical features,such as equilibrium condition,equation of state parameters,adiabatic index,stability analysis,mass function,surface redshift,and compactness factor,*** is worthwhile to mention here for the current study that our stellar structure in the background of Bardeen's model is more viable and stable.

关键词： Bardeen compact stars f(G)modified gravity Krori-Barua potential

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Optoelectronic and thermoelectric properties of spinel chalcogenides HgLa2X4（X=s and se）:A first-principles study

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Journal of Rare Earths 2024年第10期 1927-1936页

作者： Aparna Dixit Inas A.Ahmed Jisha Annie Abraham Zeinhom M.El-Bahy Mumtaz manzoor sajad Ahmad Dar Ramesh sharma Department of Basic science and Humanities Pranveer Singh Institute of Technology Department of Chemistry Faculty of ScienceKing Khalid University Department of Physics National Defence Academy Department of Chemistry Faculty of ScienceAl-Azhar University Institute of Physics Slovak Academy of Sciences Department of Physics Motilal Vigyan Mahavidyalya College Department of Applied science Feroze Gandhi Institute of Engineering and Technology

We investigated spinel chalcogenides HgLa2（s/se）4by using density function theory,and scrutinized the structural,optical,electrical,mechanical and thermoelectric transport characteristics of HgLa2（s/se）4spinel *** enthalpy of formation,energy of cohesion,and energy volume optimum plots were used to obtain the stability as well as the perfect ground state of these *** ductility of these materials was the best illustrated with the help of Poisson's and Pugh's *** band gap results were obtained using Trans and Blaha modified Becke-Johanson potential（TB-mBJ）.Both the materials present semi-conducting nature with direct band gap equal to 1.449 and 0.892 eV respectively for HgLa2s4and *** were also made for optical characteristics with the values of dielectric function,absorption coefficient,optical conductivity,reflectivity,and refractive *** to the findings,both of these materials are suitable for infrared optoelectronic *** materials were found to have promising optoelectronic and thermoelectric applications after their optical properties and transport aspects were *** tiny levels of temperature conductivities,substantial am ounts of power conductivities,the figure of merit（more than unity）,as well as seebecs coefficients all point to the potential use of both the materials in thermoelectric power generators.

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Probing the Efficiency of PPMG-Based Composite Electrolytes for Applications of Proton Exchange Membrane Fuel Cell

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Transactions of Tianjin University 2024年第3期30卷 262-283页

作者： shakeel Ahmed Faizah Altaf safyan Akram Khan s.maira manzoor Aziz Ahmad Muhammad Mansha shahid Ali Ata-ur-Rehman Karl Jacob school of Material science and Engineering Henan International Joint Laboratory of Nano-Photoelectric Magnetic MaterialsHenan University of TechnologyZhengzhou 450001China Interdisciplinary Research Center for Hydrogen Technologies and Carbon Management King Fahd University of Petroleum and Minerals31261 DhahranSaudi Arabia school of Materials science and Engineering Georgia Institute of TechnologyAtlantaGA 30332USA

PPMG-based composite electrolytes were fabricated via the solution method using the polyvinyl alcohol and polyvinylpyrrolidone blend reinforced with various contents of sulfonated inorganic *** acid was employed as the sulfonating agent to functionalize the external surface of the inorganic filler,i.e.,graphene *** proton conductivities of the newly prepared proton exchange membranes(PEMs)were increased by increasing the temperature and content of sulfonated graphene oxide(sGO),i.e.,ranging from 0.025 s/cm to 0.060 s/*** induction of the optimum level of sGO is determined to be an excellent route to enhance ionic *** single-cell performance test was conducted by sandwiching the newly prepared PEMs between an anode(0.2 mg/cm^(2) Pt/Ru)and a cathode(0.2 mg/cm^(2) Pt)to prepare membrane electrode assemblies,followed by hot pressing under a pressure of approximately 100 kg/cm^(2) at 60℃for 5–10 *** highest power densities achieved with PPMG PEMs were 14.9 and 35.60 mW/cm^(2) at 25℃and 70℃,respectively,at ambient pressure with 100%relative *** showed that the newly prepared PEMs exhibit good electrochemical *** results indicated that the prepared composite membrane with 6 wt%filler can be used as an alternative membrane for applications of high-performance proton exchange membrane fuel cell.

关键词： Proton exchange membrane fuel cell sulfonated graphene oxide Polyvinylpyrrolidone solution casting Membrane electrode assembly Fuel cell performance

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Interdigitated terahertz metamaterial sensors:design with the dielectric perturbation theory

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Photonics Research 2024年第6期12卷 1115-1128页

作者： LEI CAO FANQI MENG EsRAÖZDEMIR YANNIK LOTH MERLE RICHTER ANNA KATHARINA WIGGER maira BEATRIZ PÉREZ sOsA ALAA JABBAR JUMAAH sHIHAB AL-DAFFAIE PETER HARING BOLÍVAR HARTMUT G.ROsKOs state Key Laboratory of Advanced Electromagnetic Technology Huazhong University of Science and TechnologyWuhan 430074China Physikalisches Institut Johann Wolfgang Goethe-UniversitätFrankfurt am MainGermany University of siegen Institute for High Frequency and Quantum ElectronicsSiegenGermany Department of Electrical Engineering Eindhoven University of Technology5612 AE EindhovenThe Netherlands

Designing terahertz sensors for highly sensitive detection of nanoscale thin films and a few biomolecules poses a substantial challenge but is crucial for unlocking their full potential in scientific research and advanced *** work presents a strategy for optimizing metamaterial sensors in detecting small quantities of dielectric *** amount of frequency shift depends on intrinsic properties(electric field distribution,Q-factor,and mode volume)of the bare cavity as well as the overlap volume of its high-electric-field zone(s)and the *** by the simplified dielectric perturbation theory,interdigitated electric split-ring resonators(ID-esRRs)are devised to significantly enhance the detection sensitivity compared with esRRs without interdigitated ***-esRR’s fin-gers redistribute the electric field,creating strongly localized enhancements,which boost analyte *** periodic change of the inherent antiphase electric field reduces radiation loss,leading to a higher *** with ID-esRR sensors operating at around 300 GHz demonstrate a remarkable 33.5 GHz frequency shift upon depositing a 150 nm siO_(2)layer as an analyte simulant,with a figure of merit improvement of over 50 times compared with structures without interdigitated *** rational design offers a promising avenue for highly sensitive detection of thin films and trace biomolecules.

关键词： dielectric perturbation theory

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Detection and clearance in Alzheimer’s disease: leading with illusive chemical, structural and morphological features of the targets

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Neural Regeneration Research 2024年第3期19卷 497-498页

作者： Luís Gales i3s−Instituto de Investigação e Inovação em saúde Rua Alfredo AllenPortoPortugal(Gales L)IBMC−Instituto de Biologia Molecular e CelularUniversidade do PortoRua Alfredo AllenPortoPortugal ICBAs−Instituto de Ciências Biomédicas Abel salazar Rua de Jorge Viterbo FerreiraPortoPortugal

Highly specific interactions between biomolecules,such as antigen-antibody,protein-ligand,or nucleic acid base pair complementary are on the basis of the organization of complex *** same principles may be tentatively used in molecular medicine for diagnosis and therapeutics.A molecule can be designed to selectively bind a protease and thereby inhibit the production of a peptide that forms toxic aggregates in the brain or an antibody may be produced to bind specifically to that peptide for detection or clearance ***,interference in biological systems is not that *** a start there is the inhibition of the physiological role of the protease;moreover,several cleavage fragments may be produced,which may continue to diverge due to putative post-translational modification and self-assembly processes,hiding the toxic target in a“soup”of peptide species varying in size,structure and chemical composition.A perspective of the current status and challenges in targeting peptide species for diagnosis and treatment in the context of Alzheimer’s disease is given.

关键词： Alzheimer diagnosis thereby

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Astrophysical s-factor and reaction rate for 15N(p,γ)16O within the modified potential cluster model

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Chinese Physics C 2024年第4期48卷 130-145页

作者： s.B.Dubovichenko A.s.Tkachenko R.Ya.Kezerashvili N.A.Burkova B.M.Yeleusheva Fesenkov Astrophysical Institute 050020 AlmatyKazakhstan New York City College of Technology City University of New YorkBrooklyn11201 New YorkUSA Graduate school and University Center City University of New York10016 New YorkUSA al-Farabi Kazakh National University 050040 AlmatyKazakhstan

We study radiative p^(15)N capture on the ground state of ^(16)O at stellar energies within the framework of a modified potential cluster model(MPCM)with forbidden states,including low-lying *** investigation of the ^(15)N(p,γ0)^(16)O reaction includes the consideration of ^(3)s_(1) resonances due to E1 transitions and the contribution of the ^(3)P_(1) scattering wave in the p+^(15)N channel due to the ^(3)P_(1)→^(3)P_(0)M1 *** calculated the astrophysical low-energy s-factor,and the extrapolated s(0)turned out to be within 34.7−40.4 keV·*** important role of the asymptotic constant(AC)for the ^(15)N(p,γ0)16O process with interfering ^(3)s_(1)(312)and ^(3)s_(1)(962)resonances is elucidated.A comparison of our calculation for the s-factor with existing experimental and theoretical data is addressed,and a reasonable agreement is *** reaction rate is calculated and compared with the existing *** has negligible dependence on the variation of AC but shows a strong impact of the interference of ^(3)s_(1)(312)and ^(3)s_(1)(962)resonances in reference to the CNO Gamow windows,especially at low *** estimate the contribution of cascade transitions to the reaction rate based on the exclusive experimental data from ***.C.85,065810(2012).The reaction rate enhancement due to the cascade transitions is observed from T_(9)>0.3 and reaches the maximum factor~1.3 at T_(9)=*** present the Gamow energy window and a comparison of rates for radiative proton capture reactions ^(12)N(p,γ)^(13)O,^(13)N(p,γ)^(14)O,^(14)N(p,γ)^(15)O,and ^(15)N(p,γ)^(16)O obtained in the framework of the MPCM and provide the temperature windows,prevalence,and significance of each process.

关键词： low and astrophysical energies p^(15)N system thermonuclear reaction rate potential cluster model CNO-cycle

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The Ca^(2+)-sensing receptor and the pocketome:comparing nature's complexity with human intervention in receptor modulation

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signal Transduction and Targeted Therapy 2024年第8期9卷 3153-3154页

作者： Edda s.F.Matthees Carsten Hoffmann Institut fur Molekulare Zellbiologie CMB-Center for Molecular BiomedicineUniversitatsklinikum JenaHans-Knoll StraBe 2D-07745 JenaGermany Friedrich-schiller-Universitat Jena Hans-KnollStraBe2D-07745 JenaGermany

In a recent paper published in Nature,the relatively understudied Ca^(2+)-sensing,receptor(CasR)within the Gprotein-coupled receptor(GPCR)family C,gained attention due to pioneering research led by Georgios skiniotis ... 详细信息

关键词： stanford gained skin

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The autophagy protein Atg9 functions in glia and contributes to parkinsonian symptoms in a Drosophila model of Parkinson’s disease

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Neural Regeneration Research 2024年第5期19卷 1150-1155页

作者： shuanglong Yi Linfang Wang Margaret s.Ho shiping Zhang school of Life science and Technology ShanghaiTech UniversityShanghaiChina College of Life sciences University of Chinese Academy of SciencesBeijingChina

Parkinson’s disease is a progressive neurodegenerative disease characterized by motor deficits,dopaminergic neuron loss,and brain accumulation ofα-synuclein aggregates called Lewy *** in protein degradation pathways,such as autophagy,has been demonstrated in neurons as a critical mechanism for eliminating protein aggregates in Parkinson’s ***,it is less well understood how protein aggregates are eliminated in glia,the other cell type in the *** the present study,we show that autophagy-related gene 9(Atg9),the only transmembrane protein in the autophagy machinery,is highly expressed in Drosophila glia from adult *** from immunostaining and live cell imaging analysis reveal that a portion of Atg9 localizes to the trans-Golgi network,autophagosomes,and lysosomes in ***9 is persistently in contact with these *** glial atg9 reduces the number of omegasomes and autophagosomes,and impairs autophagic substrate *** suggests that glial Atg9 participates in the early steps of autophagy,and hence the control of autophagic ***,loss of glial atg9 induces parkinsonian symptoms in Drosophila including progressive loss of dopaminergic neurons,locomotion deficits,and glial *** findings identify a functional role of Atg9 in glial autophagy and establish a potential link between glial autophagy and Parkinson’s *** results may provide new insights on the underlying mechanism of Parkinson’s disease.

关键词： Atg9 autophagy glia Parkinson’s disease

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Fragility and challenges of health systems in pandemic: lessons from India's second wave of coronavirus disease 2019 (COVID-19)

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Global Health Journal 2022年第1期6卷 44-49页

作者： manzoor Ahmad Malik Department of Humanities and social sciences Indian Institute of Technology RoorkeeRoorkeeHaridwar 247667India

The unprecedented healthcare demand due to sudden outbreak of coronavirus disease 2019 (COVID-19) pandemic has almost collapsed the health care systems especially in the developing world. Given the disastrous outbreak of COVID-19 second wave in India, the health system of country was virtually at the brink of collapse. Therefore, to identify the factors that resulted into breakdown and the challenges, Indian healthcare system faced during the second wave of COVID-19 pandemic, this paper analysed the health system challenges in India and the way forward in accordance with the six building blocks of world health organization (WHO). Applying integrated review approach, we found that the factors such as poor infrastructure, inadequate financing, lack of transparency and poor healthcare management resulted into the overstretching of healthcare system in India. Although health system in India faced these challenges from the very beginning, but early lessons from first wave should have been capitalized to avert the much deeper crisis in the second wave of the pandemic. To sum-up given the likely future challenges of pandemic, while healthcare should be prioritized with adequate financing, strong capacity-building measures and integration of public and private sectors in India. Likewise fiscal stimulus, risk assessment, data availability and building of human resources chain are other key factors to be strengthened for mitigating the future healthcare crisis in country.

关键词： Healthcare Coronavirus disease 2019(COVID-19)Pandemics Health financing Health crisis second wave Third wave India

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