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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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Adhesion and Suction Functions of the Tip Region of a Nectar-drinking Butterfly Proboscis

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Journal of Bionic Engineering 2017年第4期14卷 600-606页

作者： Seung Chul Lee jun ho kim Sang Joon Lee Department of Mechanical Engineering Pohang University of Science and Technology Pohang 37673 Gyeongbuk Republic of Korea Center for Biofluid and Biomimic Research Pohang University of Science and Technology Pohang 37673 Gyeongbuk Republic of Korea

In this study, we investigated the dynamic functions of the tip region of the butterfly proboscis through which liquid is sucked during liquid feeding. The microstructures and flow patterns in the tip region of the proboscis were in vivo analyzed. The tip region can be divided into two functional sections： namely adhesion and suction sections. The liquid adheres to the adhesion section during liquid suction. Although the tip region has numerous slits connected to food canal of the proboscis, liquid is mainly sucked through the suction section, which section is submerged in the fluid pulled by the adhesion section and then successfully imbibes liquid. To check the dynamic functions of the tip region, we fabricated a suction tip model having adhesion and suction parts. The in vitro model experiments show that the hydrophilicity of the adhesion part and the existence of the suction inlet improve the liquid uptake driven by a suction pump. This study may provide insights for the biomimetic design of nectar-feeding butterflies.

关键词： butterfly proboscis nectar-feeding strategy suction

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High-temperature Oxidation Behavior of Zircaloy-4 and Zirlo in Steam Ambient

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Journal of Materials Science & Technology 2010年第9期26卷 827-832页

作者： Hyung hoon kim jun ho kim Jin Young Moon ho Seong Lee Jeong Joo kim Young Suck Chai School of Materials Science and Engineering Kyungpook National University School of Mechanical Engineering Yeungnam University214-1 Dae-dongGyeongsan-si

The oxidation characteristics for Zircaloy-4 and Zirlo in the temperature range of 700-1200°C under steam supply condition were investigated by using a modified thermo-gravimetric *** specimens were oxidized for 3600 s at each temperature and then quenched in a *** oxidation rate constants were measured from the weight gains to evaluate the oxidation behavior in Zircaloy-4 and *** weight gain rates of Zirlo were lower than those of Zircaloy-4,leading to the low rate *** different oxidation behaviors between both cladding materials were considered to be due to the difference in their chemical compositions.

关键词： Zircaloy-4 Zirlo Oxidation

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Decellularized sciatic nerve matrix as a biodegradable conduit for peripheral nerve regeneration

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Neural Regeneration Research 2018年第10期13卷 1796-1803页

作者： Jongbae Choi jun ho kim Ji Wook Jang Hyun jung kim Sung hoon Choi Sung Won Kwon R&D Center Genewel Co.Ltd. Department of Surgery CHA Bundang Medical CenterCHA University

The use of autologous nerve grafts remains the gold standard for treating nerve defects, but current nerve repair techniques are limited by donor tissue availability and morbidity associated with tissue loss. Recently, the use of conduits in nerve injury repair, made possible by tissue engineering, has shown therapeutic potential. We manufactured a biodegradable, collagen-based nerve conduit containing decellularized sciatic nerve matrix and compared this with a silicone conduit for peripheral nerve regeneration using a rat model. The collagen-based conduit contains nerve growth factor, brain-derived neurotrophic factor, and laminin, as demonstrated by enzyme-linked immunosorbent assay. Scanning electron microscopy images showed that the collagen-based conduit had an outer wall to prevent scar tissue infiltration and a porous inner structure to allow axonal growth. Rats that were implanted with the collagen-based conduit to bridge a sciatic nerve defect experienced significantly improved motor and sensory nerve functions and greatly enhanced nerve regeneration compared with rats in the sham control group and the silicone conduit group. Our results suggest that the biodegradable collagen-based nerve conduit is more effective for peripheral nerve regeneration than the silicone conduit.

关键词： nerve regeneration biodegradable decellularized collagen nerve conduit growth factor peripheral nerve injury regeneration silicone conduit rat model

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High mobility group box 1 in the central nervous system:regeneration hidden beneath inflammation

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Neural Regeneration Research 2025年第1期20卷 107-115页

作者： Hanki kim Bum jun kim Seungyon Koh Hyo Jin Cho Xuelian Jin Byung Gon kim jun Young Choi Department of Brain Science Ajou University School of MedicineSuwonSouth Korea Department of Biomedical Sciences Ajou University Graduate School of MedicineSuwonSouth Korea Department of Neurology Ajou University School of MedicineSuwonSouth Korea Department of Geriatrics The Affiliated Suqian First People’s Hospital of Nanjing Medical UniversitySuqianJiangsu ProvinceChina

High-mobility group box 1 was first discovered in the calf thymus as a DNA-binding nuclear protein and has been widely studied in diverse fields,including neurology and ***-mobility group box 1 in the extracellular space functions as a pro-inflammatory damage-associated molecular pattern,which has been proven to play an important role in a wide variety of central nervous system disorders such as ischemic stroke,Alzheimer’s disease,frontotemporal dementia,Parkinson’s disease,multiple sclerosis,epilepsy,and traumatic brain *** drugs that inhibit high-mobility group box 1 as a damage-associated molecular pattern,such as glycyrrhizin,ethyl pyruvate,and neutralizing anti-high-mobility group box 1 antibodies,are commonly used to target high-mobility group box 1 activity in central nervous system *** it is commonly known for its detrimental inflammatory effect,high-mobility group box 1 has also been shown to have beneficial pro-regenerative roles in central nervous system *** this narrative review,we provide a brief summary of the history of high-mobility group box 1 research and its characterization as a damage-associated molecular pattern,its downstream receptors,and intracellular signaling pathways,how high-mobility group box 1 exerts the repair-favoring roles in general and in the central nervous system,and clues on how to differentiate the pro-regenerative from the pro-inflammatory *** targeting high-mobility group box 1 in the central nervous system may benefit from differentiating between the two functions rather than overall suppression of high-mobility group box 1.

关键词： central nervous system damage-associated molecular pattern ethyl pyruvate glycyrhizzin high mobility group box 1 inflammation neural stem cells neurodevelopment oligodendrocyte progenitor cells redox status regeneration

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Refractory lipoatrophy treated with autologous whole blood injection:A case report

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World Journal of Clinical Cases 2025年第2期13卷 33-38页

作者： Wonnam kim jun Su Park En Hyung kim Department of Pharmacology School of Korean MedicinePusan National UniversityYangsan 50612GyeongnamSouth Korea Department of Dermatology College of MedicineChungbuk National UniversityCheongju 28644ChungbukSouth Korea Department of Dermatology Chungbuk National University HospitalCheongju 28644ChungbukSouth Korea

BACKGROUND Intramuscular corticosteroid injection may cause adverse effects such as dermal and/or subcutaneous atrophy,alopecia,hypopigmentation,and *** cutaneous atrophy can spontaneously resolve,several treatment options have been suggested for this *** SUMMARY In this paper,we report a case of corticosteroid injection induced lipoatrophy treated with autologous whole blood(AWB)injection,as the condition had been unresponsive to fractional laser therapy.A 29-year-old female patient visited the dermatology clinic complaining of skin depression on her right buttock area,which had appeared six months *** had been only subtle improvement at the margins after fractional CO_(2) laser treatment;therefore,after obtaining informed consent from the patient,AWB treatment was *** month after the first AWB injection,the size and depth of the lesion had noticeably improved,and a slight improvement was also observed in *** Close observation is the initial treatment of choice for steroid induced skin atrophy;however,for patients in need of immediate cosmetic improvement,AWB injection may be a safe and cost-effective alternative.

关键词： Atrophy Corticosteroid Subcutaneous fat Autologous whole blood injection Laser therapy Case report

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Adhesive ginsenoside compound K patches for cartilage tissue regeneration

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Regenerative Biomaterials 2023年第1期10卷 1442-1450页

作者： jun-ho Yang Hyun ho Shin Donghyeon kim Ji Hyun Ryu Eun-jung Jin Department of Biological Sciences College of Health SciencesWonkwang UniversityIksanJeonbuk 54538South Korea Department of Chemical Engineering Wonkwang UniversityIksanJeonbuk 54538South Korea Department of Carbon Convergence Engineering Wonkwang UniversityIksanJeonbuk 54538South Korea Integrated Omics Institute Wonkwang UniversityIksanJeonbuk 54538South Korea

Biomaterial-based drug delivery systems have been developed to expedite cartilage regeneration;however,challenges related to drug recovery,validation,and efficient drug delivery *** instance,compound K(CK)is a major metabolite of ginsenosides that is known to protect against joint degeneration by inhibiting the production of inflammatory cytokines and the activation of immune ***,its effects on cartilage degradation and tissue regeneration remain ***,tissue-adhesive drug delivery depots that stably adhere to cartilage defects are required for CK *** this study,CK-loaded adhesive patches were reported to seal cartilage defects and deliver CK to defect sites,preventing cartilage degradation and accelerating cartilage tissue *** patches are stable and suitable for application in surgical procedures under physiological conditions and show excellent adhesiveness to cartilage *** addition,there were no significant differences in the adhesive polymeric networks before and after CK ***-loaded hydrocaffeic acid-conjugated chitosan patches significantly inhibited the stimulation of cartilage-degrading enzymes and apoptosis in osteoarthritic cartilage by releasing CK in cartilage ***,the NFkB signaling pathway of released CK from the adhesive patches in the treatment of osteoarthritis is ***,the CK-loaded adhesive patches are expected to significantly contribute to cartilage regeneration.

关键词： ginsenoside compound K adhesive patch drug delivery hydrocaffeic acid-conjugated chitosan osteoarthritis

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2D spinel ZnCo_(2)O_(4) microsheet-coated functional separator for promoted redox kinetics and inhibited polysulfide dissolution

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Journal of Energy Chemistry 2021年第4期30卷 468-475页

作者： Jeong Seok Yeon Tae ho Park Young Hun Ko Periyasamy Sivakumar jun Su kim Youngkywon kim ho Seok Park School of Chemical Engineering Sungkyunkwan UniversitySuwon 16419Gyeonggi-doRepublic of Korea Advanced Batteries Research Center Korea Electronics Technology InstituteSeongnam 13509Gyeonggi-doRepublic of Korea Department of Health Sciences and Technology Samsung Advanced Institute for Health Sciences and Technology(SAIHST)Sungkyunkwan UniversitySuwon 16419Gyeonggi-doRepublic of Korea Department of Chemistry Dongguk University-Seoul CampusJung-gu 04620 SeoulRepublic of Korea

Lithium-sulfur(Li-S)batteries are receiving increasing attention as one of the potential next-generation batteries,owing to their high energy densities and low ***,practical Li-S batteries with high energy densities are extremely hindered by the sulfur loss,low Coulombic efficiency,and short cycling life originating from the polysulfide(LiPS)*** this study,two-dimensional(2D)ZnCo_(2)O_(4) microsheets fabricated by a facile hydrothermal process are employed to modify the separator,for improving the electrochemical performances of Li-S *** resulting 2D Zn Co_(2)O_(4)-coated separator features a coating thickness of approximately 10 lm,high ionic conductivity of 1.8 m S/cm,and low mass loading of 0.2 mg/cm^(2).This 2D ZnCo_(2)O_(4)-coated separator effectively inhibits Li PS shuttle by a strong chemical interaction with Li PS as well as promotes the redox kinetics by Zn CO2O4-coated layers,as determined by X-ray photoelectron spectroscopy analysis,self-discharge,time-dependent permeation test,Li symmetric cell test,and Li2S nucleation ***,the Li-S batteries based on the 2D Zn Co_(2)O_(4)-coated separator exhibit a high initial discharge capacity of 1292.2 m Ah/g at 0.1 ***,they exhibit excellent long cycle stability at 1 and 2 C with capacity retention of 84%and 86%even after800 cycles,corresponding to a capacity fading rate of 0.020%and 0.016%per cycle,***,these Li-S cells with a high sulfur loading at 5.3 mg/cm^(2) and low electrolyte concentration of 9 l L/mg deliver a high discharge capacity of 4.99 m Ah/cm^(2) after 200 cycles at 0.1 C.

关键词： Lithium sulfur batteries Functional separator 2D microsheet Polysulfide Redox kinetics

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Estimation of Turbulent Sensible Heat and Momentum Fluxes over a Heterogeneous Urban Area Using a Large Aperture Scintillometer

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Advances in Atmospheric Sciences 2015年第8期32卷 1092-1105页

作者： Sang-Hyun LEE jun-ho LEE Bo-Young kim Department of Atmospheric Science Kongju National University Department of Optical Engineering Kongju National University

The accurate determination of surface-layer turbulent fluxes over urban areas is critical to understanding urban boundary layer （UBL） evolution. In this study, a remote-sensing technique using a large aperture scintillometer （LAS） was investigated to estimate surface-layer turbulent fluxes over a highly heterogeneous urban area. The LAS system, with an optical path length of 2.1 km, was deployed in an urban area characterized by a complicated land-use mix （residential houses, water body, bare ground, etc.）. The turbulent sensible heat （QH） and momentum fluxes （z） were estimated from the scintillation measurements obtained from the LAS system during the cold season. Three-dimensional LAS footprint modeling was introduced to identify the source areas （＂footprint＂） of the estimated turbulent fluxes. The analysis results showed that the LAS-derived turbulent fluxes for the highly heterogeneous urban area revealed reasonable temporal variation during daytime on clear days, in comparison to the land-surface process-resolving numerical modeling. A series of sensitivity tests indicated that the overall uncertainty in the LAS-derived daytime QH was within 20%-30% in terms of the influence of input parameters and the non- dimensional similarity function for the temperature structure function parameter, while the estimation errors in z were less sensitive to the factors of influence, except aerodynamic roughness length. The 3D LAS footprint modeling characterized the source areas of the LAS-derived turbulent fluxes in the heterogeneous urban area, revealing that the representative spatial scales of the LAS system deployed with the 2.1 km optical path distance ranged from 0.2 to 2 km2 （a ＂micro-a scale＂）, depending on local meteorological conditions.

关键词： heterogeneous surface large aperture scintillometer mesoscale modeling surface energy balance turbulentexchange

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Study on accuracy of casting flow simulation

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China Foundry 2017年第5期14卷 333-338页

作者： Youngsim Choi jun-ho hong ho-Young Hwang Kyuhong kim Dept.of Mechanical&Aerospace Engineering Seoul Nat.Univ.Republic of Korea Korea Institute of Industrial Technology(KITECH) Republic of Korea Institute of Advanced Aerospace Technology Seoul Nat.Univ.Republic of Korea

In the field of casting flow simulation, the application of body-fitted coordinate(BFC) has not been widely used due to the difficulty and low efficiency of grid generation, despite the availability of good quality analysis results. Cartesian coordinates, on the other hand, have been used predominantly in casting process simulations because of their relatively easy and fast grid generation. however, Cartesian grid systems cannot obtain accurate results because they cannot express the geometries properly. In this study, Cut Cell method was applied to solve this problem. The three-dimensional incompressible viscous governing equation was analyzed using a function defined for the volume and area of the casting in the cutting cell. Using the Cut Cell method, accurate flow analysis results were also obtained in the Cartesian grid systems. The tests of simple shape and the applications of actual casting product have been tried with Cut Cell method.

关键词： casting flow Cut Cell Cartesian coordinates body-fitted coordinates filling pattern conservationof momentum

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