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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

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Synaptic a-Si:H/a-Ga_(2)O_(3) phototransistor inspired by the phototaxis behavior of organisms with all-optical and all-electrical stimulation modes

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Nano Research 2024年第8期17卷 7631-7642页

作者： Youngbin Yoon Youngki Kim Soowon choi Jungdae Kwon Myunghun Shin School of Electronics and Information Engineering Korea Aerospace UniversityGoyang10540Republic of Korea Nano Materials Division Korea Institute of Materials ScienceChangwon 51508Republic of Korea Department of Materials Science and Engineering Pusan National UniversityBusan 46241Republic of Korea

To improve neuromorphic computing performance,neuromorphic system components should mimic the behaviors of organic *** this study,a synaptic a-Si:H/a-Ga_(2)O_(3)phototransistor featuring all-optical and-electrical emulation is fabricated in a manner advantageous for complementary metal-oxide-semiconductor process *** phototransistor exhibits excitatory and inhibitory synaptic behaviors under stimulation by both optical and electrical *** mimics several essential synaptic functions,including excitatory postsynaptic current,inhibitory postsynaptic current,short-term memory,long-term memory,pairedpulse facilitation,and spike-timing-dependent *** optical and electrical modulation mechanisms are confirmed to arise from the a-Si:H/a-Ga_(2)O_(3) heterojunction structure and interface effects,and the device is shown to operate at low power in both optical and electrical *** all-optical weight modulation function is applied to the wavelength-differential behavior response of zebrafish,successfully mimicking the color perception process of the ***,to verify the translation of the optoelectrical-derived synaptic behaviors of the phototransistor into artificial neuromorphic computation,handwritten digit image recognition of the Modified National Institute of Standards and Technology dataset is performed by a convolutional neural network,with a demonstrated average learning accuracy of 98.46%.These findings verify the applicability of the synaptic a-Si:H/a-Ga_(2)O_(3) phototransistor in neuromorphic computing.

关键词： synaptic phototransistor artificial synapse phototaxis neuromorphic computing interface charge state optoelectronic synaptic device

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Recent progress and future directions of the research on nanoplastic-induced neurotoxicity

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Neural Regeneration Research 2024年第2期19卷 331-335页

作者： Seung-Woo Han Jinhee choi Kwon-Yul Ryu Department of Life Science University of SeoulSeoulSouth Korea School of Environmental Engineering University of SeoulSeoulSouth Korea

Many types of plastic products,including polystyrene,have long been used in commercial and industrial *** and nanoplastics,plastic particles derived from these plastic products,are emerging as environmental pollutants that can pose health risks to a wide variety of living organisms,including ***,it is not well understood how microplastics and nanoplastics affect cellular functions and induce stress *** can be exposed to polystyrene-microplastics and polystyrene-nanoplastics through ingestion,inhalation,or skin *** ingested plastics are excreted from the body,but inhaled plastics may accumulate in the lungs and can even reach the brain via the nose-to-brain ***-sized polystyrene-nanoplastics can enter cells by endocytosis,accumulate in the cytoplasm,and cause various cellular stresses,such as inflammation with increased pro-inflammatory cytokine production,oxidative stress with generation of reactive oxygen species,and mitochondrial *** induce autophagy activation and autophagosome formation,but autophagic flux may be impaired due to lysosomal *** permanently exposed to polystyrene-nanoplastics,they can be removed from cells by exocytosis and subsequently restore cellular ***,neurons are very susceptible to this type of stress,thus even acute exposure can lead to neurodegeneration without *** review focuses specifically on recent advances in research on polystyrene-nanoplastic-induced cytotoxicity and ***,in this review,based on mechanistic studies of polystyrene-nanoplastics at the cellular level other than neurons,future directions for overcoming the negative effects of polystyrene-nanoplastics on neurons were suggested.

关键词： autophagy cellular stress cytotoxicity endocytosis exocytosis inflammation microplastics nanoplastics neurotoxicity oxidative stress polystyrene

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Incorporation of Ionic Conductive Polymers into Sulfide Electrolyte-Based Solid-State Batteries to Enhance Electrochemical Stability and Cycle Life

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ENERGY & ENVIRONMENTAL MATERIALS 2024年第6期7卷 4-12页

作者： Kim, Juhyoung choi, Woonghee Hwang, Seong-Ju Kim, Dong Wook Korea Res Inst Chem Technol KRICT Adv Mat Div Daejeon 34114 South Korea Yonsei Univ Dept Mat Sci & Engn Seoul 03722 South Korea Seoul Natl Univ Dept Mat Sci & Engn Seoul 08826 South Korea Univ Sci & Technol UST Adv Mat & Chem Engn Daejeon 34113 South Korea

Sulfide-based inorganic solid electrolytes are promising materials for high-performance safe solid-state batteries. The high ion conductivity, mechanical characteristics, and good processability of sulfide-based inorganic solid electrolytes are desirable properties for realizing high-performance safe solid-state batteries by replacing conventional liquid electrolytes. However, the low chemical and electrochemical stability of sulfide-based inorganic solid electrolytes hinder the commercialization of sulfide-based safe solid-state batteries. Particularly, the instability of sulfide-based inorganic solid electrolytes is intensified in the cathode, comprising various materials. In this study, carbonate-based ionic conductive polymers are introduced to the cathode to protect cathode materials and suppress the reactivity of sulfide electrolytes. Several instruments, including electrochemical spectroscopy, X-ray photoelectron spectroscopy, and scanning electron microscopy, confirm the chemical and electrochemical stability of the polymer electrolytes in contact with sulfide-based inorganic solid electrolytes. Sulfide-based solid-state cells show stable electrochemical performance over 100 cycles when the ionic conductive polymers were applied to the cathode. This study develops electrochemically stable poly(propylene carbonate) (PPC) ionic conductive polymer as an alternative to the commonly used coating or buffer materials, including inorganic materials, polymeric rubbers, and PEO ionic conductive polymers. The ionic conductive polymer enhances the long-term cycle stability of sulfide-based solid-state batteries by protecting the cathode materials and compensating for the volume change during the repeated cycling. image

关键词： composite cathode electrochemical stability ionic conductive polymer solid-state battery sulfide solid electrolyte INTERPHASE FORMATION KINETICS CATHODES GROWTH

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Catalpa bignonioides extract improves exercise performance through regulation of growth and metabolism in skeletal muscles

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Asian Pacific Journal of Tropical Biomedicine 2024年第2期14卷 47-54页

作者： Hoibin Jeong Dong-joo Lee Sung-Pil Kwon SeonJu Park Song-Rae Kim Seung Hyun Kim Jae-Il Park Deug-chan Lee Kyung-Min choi WonWoo Lee Ji-Won Park Bohyun Yun Su-Hyeon Cho Kil-nam Kim Seoul Center Korea Basic Science InstituteSeoul 02841Republic of Korea Chuncheon Center Korea Basic Science InstituteChuncheon 24341Republic of Korea Research&Development Center Chungdam CDC JNPharm LLC.Chuncheon 24341Republic of Korea Department of Biomedical Technology Kangwon National UniversityChuncheon 24341Republic of Korea Yonsei Institute of Pharmaceutical Sciences College of PharmacyYonsei UniversityIncheon 21983Republic of Korea Gwangju Center Korea Basic Science InstituteGwangju 61751Republic of Korea Honam National Institute of Biological Resources 99Gohadoan-gilMokpo-siJeollanam-do58762Republic of Korea Department of Bio-analysis Science University of Science&TechnologyDaejeon34113Republic of Korea

Objective:To evaluate the effects of Catalpa bignonioides fruit extract on the promotion of muscle growth and muscular capacity in vitro and in ***:Cell viability was measured using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide *** proliferation was assessed using a 5-bromo-2’-deoxyuridine(BrdU)assay *** blot analysis was performed to determine the protein expressions of related *** effects of Catalpa bignonioides extract were investigated in mice using the treadmill exhaustion test and whole-limb grip strength *** composition analysis was performed using high-performance liquid chromatography(HPLC).Results:Catalpa bignonioides extract increased the proliferation of C2C12 mouse myoblasts by activating the Akt/mTOR signaling *** also induced metabolic changes,increasing the number of mitochondria and glucose metabolism by phosphorylating adenosine monophosphate-activated protein *** an in vivo study,the extract-treated mice showed improved motor abilities,such as muscular endurance and grip ***,HPLC analysis showed that vanillic acid may be the main component of the Catalpa bignonioides extract that enhanced muscle ***:Catalpa bignonioides improves exercise performance through regulation of growth and metabolism in skeletal muscles,suggesting its potential as an effective natural agent for improving muscular strength.

关键词： Catalpa bignonioides Skeletal muscle Cell proliferation Mitochondria Energy metabolism C2C12

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Recent Advances in Patterning Strategies for Full‑Color Perovskite Light‑Emitting Diodes

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Nano-Micro Letters 2024年第3期16卷 99-137页

作者： Gwang Heon Lee Kiwook Kim Yunho Kim Jiwoong Yang Moon Kee choi Graduate School of Semiconductor Materials and Devices Engineering Center for Future Semiconductor Technology(FUST)Ulsan National Institute of Science and Technology(UNIST)Ulsan 44919Republic of Korea Department of Energy Science and Engineering Daegu Gyeongbuk Institute of Science and Technology(DGIST)Daegu 42988Republic of Korea Energy Science and Engineering Research Center Daegu Gyeongbuk Institute of Science and Technology(DGIST)Daegu 42988Republic of Korea Department of Materials Science and Engineering Ulsan National Institute of Science and Technology(UNIST)Ulsan 44919Republic of Korea Center for Nanoparticle Research Institute for Basic Science(IBS)Seoul 08826Republic of Korea

Metal halide perovskites have emerged as promising light-emitting materials for next-generation displays owing to their remarkable material characteristics including broad color tunability,pure color emission with remarkably narrow bandwidths,high quantum yield,and solution *** recent advances have pushed the luminance efficiency of monochromic perovskite light-emitting diodes(PeLEDs)to their theoretical limits,their current fabrication using the spincoating process poses limitations for fabrication of full-color *** integrate PeLEDs into full-color display panels,it is crucial to pattern red–green–blue(RGB)perovskite pixels,while mitigating issues such as cross-contamination and reductions in luminous ***,we present state-of-the-art patterning technologies for the development of full-color ***,we highlight recent advances in the development of efficient ***,we discuss various patterning techniques of MPHs(i.e.,photolithography,inkjet printing,electron beam lithography and laserassisted lithography,electrohydrodynamic jet printing,thermal evaporation,and transfer printing)for fabrication of RGB pixelated *** patterning techniques can be classified into two distinct approaches:in situ crystallization patterning using perovskite precursors and patterning of colloidal perovskite *** review highlights advancements and limitations in patterning techniques for PeLEDs,paving the way for integrating PeLEDs into full-color panels.

关键词： Perovskite Light-emitting diode Full-color display High-resolution patterning Electroluminescence

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ELK3-ID4 axis governs the metastatic features of triple negative breast cancer

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Oncology Research 2024年第1期32卷 127-138页

作者： JIN-HO choi JOO DONG PARK SEUNG HEE choi EUN-SU KO HYE JUNG JANG KYUNG-SOON PARK Department of Biomedical Science CHA UniversitySeongnamKorea

Purpose:Cancer cell metastasis is a multistep process,and the mechanism underlying extravasation remains ***3 is a transcription factor that plays a crucial role in regulating various cellular processes,including cancer *** on the finding that ELK3 promotes the metastasis of triple-negative breast cancer(TNBC),we investigated whether ELK3 regulates the extravasation of TNBC by forming the ELK3-ID4 ***4 functions as a transcriptional regulator that interacts with other transcription factors,inhibiting their activity and subsequently influencing various biological processes associated with cell differentiation,survival,growth,and ***:We assessed the correlation between the expression of ELK3 and that of ID4 in TNBCs using bioinformatics analyses,QRT-PCR,western blot analysis,luciferase reporter assays,and chromatin ***,adhesion,invasion,and lung metastasis assays were employed to determine whether the ELK3-ID4 axis regulates the metastatic features of ***:We found that ELK3 binds directly to a binding motif close to the ID4 promoter to repress promoter *** expression of E-cadherin in TNBC was regulated by the ELK3-ID4 *** vitro and in vivo analyses showed that inhibiting ID4 expression in ELK3-knockdown MDA-MB-231(ELK3KD)cells restored the ability to extravasate and ***:The results indicate that the ELK3 regulates ID4 promoter activity,and that the ELK3-ID4 axis regulates the metastatic characteristics of TNBC ***,the data suggest that the ELK3-ID4 axis regulates metastasis of TNBCs by modulating expression of E-cadherin.

关键词： E-cadherin Extravasation Colonization

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Inclusive quasielastic neutrino-nucleus scattering with energy density functional nuclear models

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Chinese Physics C 2024年第8期48卷 153-158页

作者： K.S.Kim Soonchul choi Hana Gil Chang Ho Hyun School of liberal arts and science korea aerospace universitygoyang 10540korea Center for exotic nuclear studies institute for basic sciencedaejeon 34126korea Center for extreme nuclear matters korea universityseoul 02841korea Department of physics education daegu universitygyeongsan 38453korea

In this study,we calculated the inclusive charged-current neutrino-nucleus scattering from ^(40)Ar in the quasielastic *** explore the effect of uncertainties stemming from the nuclear structure,we used the KIDS(Korea-IBS-Daegu-SKKU)nuclear energy density functional and Skyrme force models,namely SLy4,SkI3,and *** models were selected to have distinct behavior in terms of the density dependence of the symmetry energy and the effective mass of the *** the charged-current neutrino scattering,the single-and double-differential cross sections were calculated for various *** cross sections are reported as a function of the incident neutrino *** theoretical cross sections were compared with experimental data,and the roles of the effective mass and symmetry energy were investigated in terms of charged-current neutrino-nucleus scattering.

关键词： energy density functional neutrino-nucleus scattering symmetry energy effective mass of the nucleon

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Particle morphology control for spherical powder fabrication using the ball milling process with DEM simulation

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Particuology 2024年第7期90卷 41-50页

作者： Battsetseg Jargalsaikhan Khulan Uranchimeg Amgalan Bor Kyung Sung Kim Heekyu choi Research Institute of Future Convergence Changwon National UniversityChangwonGyoungnam 641-773Republic of Korea Graduate School of Material Science Engineering Changwon National UniversityChangwonGyoungnam 641-773Republic of Korea Department of Chemical and Biological Engineering School of Engineering and Applied SciencesNational University of MongoliaUlaanbaatar 14200Mongolia Department of Mechatronics Convergence Engineering College of Future ConvergenceChangwon National UniversityChangwonGyoungnam 641-773Republic of Korea Graduate School of Convergence on Culture Technology Changwon National UniversityChangwonGyoungnam 641-773Republic of Korea

Characteristics of spherical particles on copper powder and changing sizes were studied in a ball mill under various experimental conditions,such as different ball diameters,high rotation speeds,and milling times,using a discrete element method(DEM)*** experiment has investigated the characteristics of spherical particle morphology evolution involved in the mechanical alloying of copper *** morphological evolution of the copper particle was analyzed using scanning electron microscopy(SEM).A spherical copper particle was shown with a roundness value using imageJ *** DEM was used to simulate the ball motion in a planetary ball mill,and the impact energy and shear energy generated during the collision were analyzed to estimate the contact number between the ball and the ball ***,as the size of the ball decreased,the number of ball-to-ball and ball-to-wall contacts increased accordingly,and the spherical shape of the copper powder changed.

关键词： Planetary ball mill DEM simulation Spherical particle morphology Copper powder Ball diameter

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The Association between Fear of COVID-19,Obsession with COVID-19,and Post Traumatic Stress Disorder in Korean Emergency Rescue Firefighters:A Cross-Sectional Study

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International Journal of Mental Health Promotion 2024年第6期26卷 475-480页

作者： Yun-Jung choi Heewon Song Red Cross College of Nursing Chung-Ang UniversitySeoulSouth Korea Department of Nursing Chung-Ang UniversitySeoulSouth Korea

During the rapid spread of COVID-19,first responders are at risk of being exposed to COVID-19 due to their role in providing first aid and responding to an unspecified number of *** uncertainty can have adverse mental health effects,such as increased anxiety and *** study aimed to investigate the degree of association between fear of COVID-19,obsession with COVID-19,and post-traumatic stress disorder(PTSD)in emergency rescue *** participants were 150 emergency rescue firefighters working in Region S,*** filled out self-report questionnaires:The data obtained through the Fear of COVID-19 Scale,Obsession with COVID-19 Scale,and Impact of Event Scale-Revised Korean version were subjected to nonparametric statistical analysis using SPSS WIN *** study found a significant correlation between emergency rescue firefighters’fear of COVID-19,obsession with COVID-19,and *** and obsession with COVID-19 were higher among first responder firefighters who were directly involved in COVID-19-related ***,a one-point increase in obsession was associated with a 2.837-point increase in *** on the results,we found that there is a need for effective control of obsessions and fears among first responder firefighters during COVID-19,and we suggest that there is a need for mental health care for first responder firefighters during the pandemic through the development and support of programs to prevent and mitigate obsessions.

关键词： COVID-19 emergency rescue firefighters fear of COVID-19 mental health promotion obsession with COVID-19 PTSD

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