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Mathematical modeling and simulations of stress mitigation by coating polycrystalline particles in lithium-ion batteries

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Applied Mathematics and Mechanics(English Edition) 2024年第6期45卷 947-962页

作者： N.IQBAL j.choi S.F.SHAH c.LEE S.LEE Department of Mechanical Roboticsand Energy EngineeringDongguk University-SeoulSeoul 04620Republic of Korea

A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyco_(z)O_(2)(x≥0.8)(NMc)particles with poly(3,4-ethylenedioxythiophene)(PEDOT).The simulation results show that the coating of primary NMc particles significantly reduces the stress generation by efficiently accommodating the volume change associated with the lithium diffusion,and the coating layer plays roles both as a cushion against the volume change and a channel for the lithium transport,promoting the lithium distribution across the secondary particles more ***,the lower stiffness,higher ionic conductivity,and larger thickness of the coating layer improve the stress *** paper provides a mathematical framework for calculating the chemo-mechanical responses of anisotropic electrode materials and fundamental insights into how the coating of NMc active particles mitigates stress levels.

关键词： lithium-ion battery(LIB) polycrystalline particle coating finite element simulation Ni-rich LiNixMnyco_(z)O_(2)(x>0.8)(NMc)

Extracellular vesicles and angiotensin-converting enzyme 2 in cOVID-19 disease

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BIOcELL 2024年第1期48卷 1-8页

作者： YU LIU ROBERT j.KASPER NATALIE j.S.choi Department of Family and community Medicine Northwestern University Feinberg School of MedicineChicagoIllinois

Extracellular vesicles(EVs)are membranous vesicular structures released from almost all eukaryotic cell types under different physiological or pathological *** evidence demonstrates that EVs can serve as mediators of intercellular communication between donor and recipient cells or microorganism-infected and noninfected *** disease 2019(cOVID-19)disease is caused by infection of the severe acute respiratory syndrome coronavirus 2(SARS-coV-2)of host cells in the respiratory system and various extra-pulmonary tissue/organs,resulting in complications of multiple organ *** the cell surface receptor,angiotensin-converting enzyme 2(AcE2)mediates cellular entry of SARS-coV-2 into the host cells in patients with *** studies have found that AcE2 can be released with EVs,which have been shown to interfere with the entry of the virus into host cells and thus may be involved in cOVID-19 *** addition,AcE2,neprilysin(NEP),and thimet oligopeptidase(TOP)are the key enzymes that regulate angiotensin metabolism by converting angiotensin II or angiotensin I to angiotensin 1-7,the latter of which has protective effects in counterbalancing the harmful effects of angiotensin II in cOVID-19 *** review summarizes the recent research progress regarding EV-associated AcE2,NEP,and TOP and the perspectives of their potential involvement in the pathophysiology of cOVID-19 disease.

关键词： Extracellular vesicles cOVID-19 Angiotensin converting enzyme 2 Thimet oligopeptidase

Recent Developments in Metallic Degradable Micromotors for Biomedical and Environmental Remediation Applications

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Nano-Micro Letters 2024年第3期16卷 1-35页

作者： Sourav Dutta Seungmin Noh Roger Sanchis Gual Xiangzhong chen Salvador Pané Bradley j.Nelson Hongsoo choi Department of Robotics and Mechatronics Engineering Daegu Gyeongbuk Institute of Science and Technology(DGIST)Daegu 42988Republic of Korea DGIST‑ETH Microrobotics Research center DGISTDaegu 42988Republic of Korea Multi‑Scale Robotics Lab Institute of Robotics and Intelligent SystemsETH Zurich8092 ZurichSwitzerland Institute of Optoelectronics State Key Laboratory of Photovoltaic Science and TechnologyShanghai Frontiers Science Research Base of Intelligent Optoelectronics and PerceptionFudan UniversityShanghai 200433People’s Republic of China

Synthetic micromotor has gained substantial attention in biomedicine and environmental ***-based degradable micromotor composed of magnesium(Mg),zinc(Zn),and iron(Fe)have promise due to their nontoxic fuel-free propulsion,favorable biocompatibility,and safe excretion of degradation products Recent advances in degradable metallic micromotor have shown their fast movement in complex biological media,efficient cargo delivery and favorable biocompatibility.A noteworthy number of degradable metal-based micromotors employ bubble propulsion,utilizing water as fuel to generate hydrogen *** novel feature has projected degradable metallic micromotors for active in vivo drug delivery *** addition,understanding the degradation mechanism of these micromotors is also a key parameter for their design and *** propulsion efficiency and life span govern the overall performance of a degradable metallic *** we review the design and recent advancements of metallic degradable ***,we describe the controlled degradation,efficient in vivo drug delivery,and built-in acid neutralization capabilities of degradable micromotors with versatile biomedical ***,we discuss micromotors’efficacy in detecting and destroying environmental ***,we address the limitations and future research directions of degradable metallic micromotors.

关键词： Magnesium Zinc Iron Biodegradable microrobot Biomedical Environmental

correlation between hydration properties and electrochemical performances on Ln cation size effect in layered perovskite for protonic ceramic fuel cells

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journal of Energy chemistry 2024年第1期88卷 1-9,I0001页

作者： Inhyeok cho jiwon Yun Boseok Seong junseok Kim Sun Hee choi Ho-Il ji Sihyuk choi Department of Mechanical Engineering Kumoh National Institute of TechnologyGumi 39177GyeongbukRepublic of Korea Department of Aeronautics Mechanical and Electronic Convergence EngineeringKumoh National Institute of TechnologyGumi 39177GyeongbukRepublic of Korea center for Energy Materials Research Korea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea center for Hydrogen and Fuel cell Research Clean Technology Research DivisionKorea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea Department of Energy and Environmental Engineering University of Science and TechnologySeoul 02792Republic of Korea Nanomaterials Science and Engineering Korea University of Science and Technology(UST)KIST CampusSeoul 02792Republic of Korea

PrBa_(0.5)Sr_(0.5)co_(1.5)Fe_(0.5)O_(5+δ)(PrBScF) has attracted much research interest as a potential triple ionic and electronic conductor(TIEc) electrode for protonic ceramic fuel cells(PcFcs). The chemical formula for Pr BScF is AA'B_(2)O_(5+δ), with Pr(A-site) and Ba/Sr(A'-site) alternately stacked along the c-axis. Due to these structural features, the bulk oxygen ion diffusivity is significantly enhanced through the disorder-free channels in the PrO layer;thus, the A site cations(lanthanide ions) play a pivotal role in determining the overall electrochemical properties of layered perovskites. consequently, previous research has predominantly focused on the electrical properties and oxygen bulk/surface kinetics of Ln cation effects,whereas the hydration properties for PcFc systems remain unidentified. Here, we thoroughly examined the proton uptake behavior and thermodynamic parameters for the hydration reaction to conclusively determine the changes in the electrochemical performances depending on LnBa_(0.5)Sr_(0.5)co_(1.5)Fe_(0.5)O_(5+δ)(LnBScF,Ln=Pr, Nd, and Gd) cathodes. At 500 ℃, the quantitative proton concentration of PrBScF was 2.04 mol% and progressively decreased as the Ln cation size decreased. Similarly, the Gibbs free energy indicated that less energy was required for the formation of protonic defects in the order of Pr BScF cF cF. To elucidate the close relationship between hydration properties and electrochemical performances in LnBScF cathodes, PcFc single cell measurements and analysis of the distribution of relaxation time were further investigated.

关键词： Protonic ceramic fuel cell cathode Triple ionic and electronic conductor Hydration property Proton uptake Gibbs free energy

Investigating ischemia and reperfusion-induced organ damage in severe cardiac arrest:A comprehensive proteomics perspective

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journal of Pharmaceutical Analysis 2024年第3期14卷 427-430页

作者： ju Yeon Lee Muhammad Shoaib jin-Woong choi Rishabh c.choudhary Tai Yin Nara Yoon Kei Hayashida Seunguk j.Baek Santiago j.Miyara Lance B.Becker junhwan Kim Research center of Bioconvergence Analysis Korea Basic Science InstituteCheongjuSouth Korea Bio-Analytical Science University of Science and TechnologyCheongjuSouth Korea Laboratory for critical care Physiology Feinstein Institutes for Medical ResearchManhassetNY11030USA Donald and Barbara Zucker School of Medicine at Hofstra/Northwell School of Medicine HempsteadNY11549USA Mathematics and computer Science Adelphi UniversityGarden CityNY11530USA Department of Emergency Medicine North Shore University HospitalManhassetNY11030USA

cardiac arrest(cA)is a life-threatening condition with complex pathophysiology and limited treatment *** gain deeper insights into the pathological state of vital organs,we employed a proteomics analysis in rodents to assess proteome alterations in the brain,heart,kidney,and liver using a rat model of *** brain displayed severe protein alterations in essential cellular pathways,including three major energy-generating pathways after cA,which worsened after resuscitation,resulting in the most significant overall protein changes among the ***,the liver,experiencing the most substantial protein alterations post-cA,demonstrated significant recovery,presenting the least protein changes post-resuscitation.

关键词： alterations organs damage

Rapid monitoring of indoor airborne influenza and coronavirus with high air flowrate electrostatic sampling and PcR analysis

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Frontiers of Environmental Science & Engineering 2024年第7期18卷 73-85页

作者： Sanggwon An Sangsoo choi Hyeong Rae Kim jungho Hwang School of Mechanical Engineering Yonsei UniversitySeoul 02876Republic of Korea Gas Metrology Group Korea Research Institute of Standards and Science(KRISS)Daejeon 34113Republic of Korea

The World Health Organization has raised concerns about the possibility of airborne transmission in enclosed and poorly ventilated ***,rapid monitoring of airborne viruses is necessary in multi-use facilities with dense ***,an electrostatic air sampler(250 L/min)was developed in this work to obtain indoor viral aerosol samples for analysis via the Polymerase chain Reaction(PcR).Aerosol tests with H1N1 and HcoV-229E were performed to evaluate the sample collection *** analysis,along with another aerosol test,was conducted to evaluate the recovery of the virus particles collected by the *** laboratory tests,our electrostatic sampler obtained viral samples that were detectable by PcR under the simulated viral pandemic scenario(3000 RNA copies per cubic meter of air)within 40 *** resulting cycle threshold(c)values were 35.07 and 37.1 for H1N1 and HcoV-229E,*** the performance evaluation in the laboratory,field tests were conducted in a university classroom from October 28 to December 2,*** A and HcoV-229E were detected in two air samples,and the corresponding c,values were 35.3 and *** PcR results are similar to those obtained from laboratory tests,considering the simulatedviralpandemic scenario.

关键词： Airborne virus Electrostatic sampler Rapid monitoring Indoor environment Field test

Enhancing BiVO_(4)photoanode performance by insertion of an epitaxial BiFeO_(3)ferroelectric layer

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journal of Energy chemistry 2024年第2期89卷 71-78,I0003页

作者： Haejin jang Yejoon Kim Hojoong choi jiwoong Yang Yoonsung jung Sungkyun choi Donghyeon Lee Ho Won jang Sanghan Lee School of Materials Science and Engineering Gwangju Institute of Science and TechnologyGwangju 61005Republic of Korea Department of Materials Science and Engineering Seoul National UniversitySeoul 08826Republic of Korea

BiVO_(4)(BVO)is a promising material as the photoanode for use in photoelectrochemical ***,the high charge recombination and slow charge transfer of the BVO have been obstacles to achieving satisfactory photoelectrochemical *** address this,various modifications have been attempted,including the use of ferroelectric *** materials can form a permanent polarization within the layer,enhancing the separation and transport of photo-excited electron-hole *** this study,we propose a novel approach by depositing an epitaxial BiFeO_(3)(BFO)thin film underneath the BVO thin film(BVO/BFO)to harness the ferroelectric property of *** self-polarization of the inserted BFO thin film simultaneously functions as a buffer layer to enhance charge transport and a hole-blocking layer to reduce charge *** a result,the BVO/BFO photoanodes showed more than 3.5 times higher photocurrent density(0.65 mA cm^(-2))at 1.23 V_(RHE)under the illumination compared to the bare BVO photoanodes(0.18 m A cm^(-2)),which is consistent with the increase of the applied bias photon-to-current conversion efficiencies(ABPE)and the result of electrochemical impedance spectroscopy(EIS)*** results can be attributed to the self-polarization exhibited by the inserted BFO thin film,which promoted the charge separation and transfer efficiency of the BVO photoanodes.

关键词： Photoelectrochemical Photoanode BiVO_(4) Ferroelectric materials BiFeO_(3)

Modeling asymmetric fracture mechanics of Mg alloy wire in drawing process

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journal of Magnesium and Alloys 2024年第5期12卷 2057-2069页

作者： Sunghoon choi jongwon Shin joung Sik Suh Dongchoul Kim Department of Mechanical Engineering Sogang UniversitySeoul04107Republic of Korea Advanced Metals Division Korea Institute of Materials ScienceChangwon 51508Republic of Korea

In this study,a numerical analysis was conducted on the ductile fracture of a 2-mm diameter Mg-1Zn-0.5Mn-0.5Sr-0.1ca alloy wire during *** hexagonally close-packed crystal structure of Mg alloys causes asymmetric fracture behavior,especially in the compression *** aim of this study is to develop a comprehensive damage model for Mg alloy wire that accurately predicts ductile fracture,with a focus on the compression region.A novel experimental method was introduced to measure the ductile fracture of Mg alloy wires under different stress *** wire drawing process was simulated using the Generalized Incremental Stress-State dependent damage(GISSMO)Model and the Semi-Analytical Model for Polymers(SAMP)*** damage model's prediction and the experimental results were found to be in excellent agreement,especially in determining crack *** analysis established a safe zone diagram for die angle and reduction ratio,and experimental validation confirmed the feasibility of this *** proposed damage model can provide a practical and reliable analysis for optimizing the drawing process of Mg alloy wire.

关键词： Mg alloy Wire drawing Finite element method Damage model Safe zone diagram

Data driven computational design of stable oxygen evolution catalysts by DFT and machine learning:Promising electrocatalysts

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journal of Energy chemistry 2024年第4期91卷 645-655页

作者： Hwanyeol Park Yunseok Kim Seulwon choi Ho jun Kim Department of Display Materials Engineering Soonchunhyang UniversityAsanChung-nam 31538Republic of Korea Department of Electronic Materials Devicesand Equipment EngineeringSoonchunhyang Uni-versityAsanChungnam 31538Republic of Korea Department of Mechanical Engineering Hanyang University ERICA Campus55 Hanyangdaehak-roSangnok-guAnsanGyeonggi-do 15588Republic of Korea

The revolutionary development of machine learning(ML),data science,and analytics,coupled with its application in material science,stands as a significant milestone of the scientific community over the last *** active,stable,and cost-efficient catalysts is crucial for oxygen evolution reaction owing to the significance in a range of electrochemical energy co nversion *** this work,we have demonstrated an efficient approach of high-throughput screening to find stable transition metal oxides under acid condition for high-performance oxygen evolution reaction(OER)catalysts through density functional theory(DFT)calculation and a machine learning algorithm.A methodology utilizing both the Materials Project database and DFT calculations was introduced to assess the acid stability under specific reaction *** upon this,OER catalytic activity of acid-stable materials was examined,highlighting potential OER catalysts that meet the required *** identified IrO_(2),Fe(SbO_(3))_(2),co(SbO_(3))_(2),Ni(SbO_(3))_(2),FeSbO_(4),Fe(SbO_(3))4,MoWO_(6),TiSnO_(4),coSbO_(4),and Ti(WO_(4))_(2)as promising catalysts,several of which have already been experimentally discovered for their robust OER performance,while others are novel for experimental exploration,thereby broadening the chemical scope for efficient OER *** of the bond length of TM-O and the first ionization energy were used to unveil the OER activity *** the calculated results,guidance has been derived to effectively execute advanced high-throughput screenings for the discovery of catalysts with favorable ***,the intrinsic correlation between catalytic performance and various atomic and structural factors was elucidated using the ML *** these approaches,we not only streamline the choice of the promising electrocatalysts but also offer insights for the design of varied catalyst models and the discovery of superior c

关键词： Transition metal oxides Oxygen evolution reaction High-throughput screening First-principles calculation Machine learning