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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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Micro Gas Sensor Array for Monitoring Highly Toxic Gases

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稀有金属材料与工程 2006年第A3期35卷 9-12页

作者： Duk-Dong Lee nak-Jin choi Kap-Duk Song School of Electronic Engineering & Computer Science Kyungpook National UniversitySankyuk-Dong 1370PukguDaegu 702-701Korea Future Technology Research Division Electronics and Telecommunications Research InstituteGajeong-Dong 161Yuseng-GuDaejoeng 305-350Korea

Recently,the possibility of a disaster due to the improper use of highly toxic gases which are known as agents throughout the world has been ***,the development of technology for countermeasure against CWA has been highly *** this study,thick film SnO_2-based gas sensing devices were prepared and the sensing properties for the four different kinds of simulants such as dimethyl methyl phosphonate (DMMP),acetonitrile,dichloromethane and dipropylene glycol methyl ether have been *** a micro sensor array consists of six devices was prepared using MEMS technology to provide high selective and reliable sensing system for the detection of chemical warfare *** micro gas sensor array prepared showed good sensitivity and selectivity to CWA.

关键词： micro sensor array highly toxic gases sensitivity

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COVID-19 and the young heart: what are we missing?

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World Journal of Pediatrics 2020年第6期16卷 553-555页

作者： Robert Spencer nak hy.n choi Keriann Potter Sanghee Suh Michael Fremed Division of Pediatric Cardiology Morgan Stanley Children's Hospital of New York-PresbyterianColumbia University Medical Center3959 BroadwayNew YorkNY 10032USA

As the coronavirus disease 2019(COVID-19)pandemic continues to evolve,clinicians around the world are reporting a wide spectrum of the virus'clinical manifestations in the pediatric *** majority of infected children and adolescents appear to present with mild symptoms,such as fever,dry cough,or upper respiratory symptoms[1].However,because severe cases are rarely reported,data for this population are lacking and the extent of extrapulmonary organ involvement,including the heart,is still being *** ability to obtain sufficient data is further challenged by the need to minimize risk of exposure to members of the clinical care team,which includes phlebotomists,electrocardiogram technicians,and sonographers.

关键词： involvement clinical respiratory

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Formulation of a film-coated dutasteride tablet bioequivalent to a soft gelatin capsule(Avodart~?): Effect of γ-cyclodextrin and solubilizers

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Asian Journal of Pharmaceutical Sciences 2019年第3期14卷 313-320页

作者： Mi-Hong Min Jin-hy.ng Park Mi-Ran choi Jong-hy.n Hur Byung-nak Ahn Dae-Duk Kim College of Pharmacy and Research Institute of Pharmaceutical Sciences Seoul National UniversitySeoul08826Republic of Korea Central Research Institute Whanin Pharmaceutical Company4FGBSA107Gwanggyo-roYeongtong-guSuwon16229Republic of Korea

The aim of this study was to optimize a tablet formulation of dutasteride that is bioequivalent to a commercially available soft gelatin capsule(Avodart~?). The effect of cyclodextrin on enhancing the aqueous solubility of dutasteride was investigated, after which the formulation was further optimized with solubilizing polymer and surfactant. Among the cyclodextrins tested, the highest solubility was observed when dutasteride was complexed with γ-cyclodextrin. Moreover, the addition of polyvinylpyrrolidone and Gelucire/TPGS further enhanced the solubility of dutasteride. Differential scanning calorimetry(DSC) and powder X-ray diffraction(pX RD) studies demonstrated that dutasteride existed in the amorphous form in the complex. Optimized dutasteride complexes were selected after a pharmacokinetic study in rats, and film-coated tablets were prepared by the direct compression method. In vitro dissolution profiles for the tablets of dutasteride complexes were similar to those of the reference. Moreover, pharmacokinetic parameters including the C max and AUC values after oral administration in beagle dogs were not significantly different from those of the reference with a relative bioavailability of 92.4%. These results suggest the feasibility of developing a tablet formulation of dutasteride using cyclodextrin complex in addition to a solubilizing polymer and surfactant.

关键词： Dutasteride Tablet Cyclodextrin Complex Formulation

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Robot-Assisted Laparoscopic Adrenalectomy:15 cases

Robot-Assisted Laparoscopic Adrenalectomy:15 cases

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第十七届全国泌尿外科学术会议

作者： Young Goo Lee Dae Sung Kim Yong Seong Lee nak Kyu choi Dep.of Urology.Hallym University SeoulKorea

Introduction Robot-assisted laparoscopic adrenalectomy(RLA) has become an accepted surgical procedure for resection of benign adrenal lesions *** reviewed our experience and report our results.

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An Experimental Study on the Behavior of Square Concrete-Filled High Strength Steel Tube Columns

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Journal of Iron and Steel Research International 2011年第S1期18卷 878-882页

作者： hy.ng-suk Jung Chang-sik choi Department of sustainable architectural engineering Hanyang UniversitySeoulKorea Department of architectural engineering Hanyang UniversitySeoulKorea

The paper presents an experimental study on the behavior of square concrete-filled high strength steel tube columns until *** specimens were tested to investigate the effect of high strength steel and plain strength concrete on the load carrying capacity of the square concrete-filled steel tube *** effect of the concrete which filled in the steel tube was also ***,the effect of high strength steel and the presence of concrete were also *** main parameters in the tests were:(1) the ultimate strength of steel (800 Mpa),(2) the presence of concrete in steel tube (hollow steel tube and concrete-filled steel tube),and (3) slender *** main objectives of these tests were three-step:(1) to describe a series of tests on composite columns,(2) to analyze the influence of several parameters,and (3) to compare the accuracy of the predictions by using the specifications in the code (AISC-LRFD,EC4 and AIJ etc.) for the design of high-strength composite *** results indicate that the ultimate strength of steel and presence of concrete had significant influence on both the axial compressive load capacity and the ductile of the square steel tube.

关键词： square concrete-filled steel tubes high strength steel axial compression

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ezQTL:A Web Platform for Interactive Visualization and Colocalization of QTLs and GWAS Loci

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Genomics, Proteomics & Bioinformatics 2022年第3期20卷 541-548页

作者： Tongwu Zhang Alyssa Klein Jian Sang Jiyeon choi Kevin M.Brown Division of Cancer Epidemiology and Genetics National Cancer InstituteBethesdaMD 20892USA

Genome-wide association studies(GWAS)have identified thousands of genomic loci associated with complex diseases and traits,including *** vast majority of common traitassociated variants identified via GWAS fall in non-coding regions of the genome,posing a challenge in elucidating the causal variants,genes,and mechanisms *** quantitative trait locus(eQTL)and other molecular QTL studies have been valuable resources in identifying candidate causal genes from GWAS loci through statistical colocalization *** QTL colocalization is becoming a standard analysis in post-GWAS investigation,an easy web tool for users to perform formal colocalization analyses with either user-provided or public GWAS and eQTL datasets has been ***,we present ezQTL,a web-based bioinformatic application to interactively visualize and analyze genetic association data such as GWAS loci and molecular QTLs under different linkage disequilibrium(LD)patterns(1000 Genomes Project,UK Biobank,or user-provided data).This application allows users to perform data quality control for variants matched between different datasets,LD visualization,and two-trait colocalization analyses using two state-of-the-art methodologies(eCAVIAR and hyPrColoc),including batch *** is a free and publicly available cross-platform web tool,which can be accessed online at https://***/ezqtl.

关键词： Genome-wide association study Expression quantitative trait locus Colocalization Linkage disequilibrium Visualization

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Sex disparity in viral load, inflammation and liver damage in transgenic mice carrying full hepatitis B virus genome with the W4P mutation in the preS1 region

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World Journal of Gastroenterology 2018年第10期24卷 1084-1092页

作者： Seoung-Ae Lee So-Young Lee Yu-Min choi Hong Kim Bum-Joon Kim Department of Microbiology and Immunology Biomedical Sciences Liver Research Institute and Cancer Research Institute Seoul National University College of Medicine

AIM To study sex disparity in susceptibility to hepatocellular carcinoma(HCC), we created a transgenic mouse model that expressed the full hepatitis B virus(HBV) genome with the W4P *** Transgenic mice were generated by transferring the p hy92-1.1 x-HBV-full genome plasmid(genotype A2) into C57 Bl/6 n mice. We compared serum levels of hepatitis B surface antigen(HBs Ag), interleukin(IL)-6, and the liver enzymes alanine aminotransferase(ALT) and aspartate transaminase(AST), as well as liver histopathological features in male and female transgenic(W4PTG) mice and in nontransgenic littermates of 10 mo of age. RESULTS W4PTG males exhibited more pronounced hepatomegaly, significantly increased granule generation in liver tissue, elevated HBs Ag expression in the liver and serum, and higher serum ALT and IL-6 levels compared to W4PTG females or littermate control groups. COnCLUSIOn Together, our data indicate that the W4 P mutation in pre S1 may contribute to sex disparity in susceptibility to HCC by causing increased HBV virion replication and enhanced IL-6-mediated inflammation in male individuals. Additionally, our transgenic mouse model that expresses full HBV genome with the W4 P mutation in pre S1 could be effectively used for the studies of the progression of liver diseases, including HCC.

关键词： Hepatitis B virus W4P mutation of preS1 transgenic mice Hepatocellular carcinoma

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老年人群血清25-羟维生素D水平和CYP1A1,CYP1B1基因多态性对血压的交互作用

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中华高血压杂志 2014年第12期22卷 1199-1199页

作者： Park hy Kim JH Bae S choi YY Park JY Hong YC 刘莉叶鹏

高血压和维生素D缺乏在全球普遍流行,尤其是老年人群。考虑到基因-环境对疾病发展的影响,研究人员评估某些细胞色素P450基因多态性与维生素D水平对血压的影响。方法：研究人员测定535名≥60岁个体的血清25-羟基维生素D[serum25-hydroxyv... 详细信息

高血压和维生素D缺乏在全球普遍流行,尤其是老年人群。考虑到基因-环境对疾病发展的影响,研究人员评估某些细胞色素P450基因多态性与维生素D水平对血压的影响。方法：研究人员测定535名≥60岁个体的血清25-羟基维生素D[serum25-hydroxyvitamin D,25（OH）D]和血压水平,同时测定淋巴细胞DnA中CYP1A1和CYP1B1的单核苷酸基因多态性（single—nucleotide polymorphisms，SnP），统计学应用重复测量分析。

关键词： CYP1A1,CYP1B1 基因多态性细胞色素交互作用单核苷酸重复测量负相关协同作用遗传变异 DnA

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Cancer stem cell markers CD133 and CD24 correlate with invasiveness and differentiation in colorectal adenocarcinoma

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World Journal of Gastroenterology 2009年第18期15卷 2258-2264页

作者： Dongho choi hyo Won Lee Kyung Yul Hur Jae Joon Kim Gyeong-Sin Park Si-hy.ng Jang Young Soo Song Ki-Seok Jang Seung Sam Paik Department of Surgery College of MedicineSoonchunhyang University140-743 SeoulSouth Korea Department of Surgery Chi Hang Hospital140-741 SeoulSouth Korea Department of Pathology College of MedicineCatholic University137-040 SeoulSouth Korea Department of Pathology College of MedicineHanyang University133-790 SeoulSouth Korea

AIM:To verify that CD markers are available for detecting cancer stem cell populations and to evaluate their clinical significance in colon ***:Immunohistochemistry for CD133,CD24 and CD44 was performed on the tissue microarray of 523 colorectal *** records were reviewed and clinicopathological analysis was ***:In colorectal adenocarcinoma,128 of 523 cases(24.5%) were positive and 395 cases(75.5%) were negative for CD133 *** hundred and sixty-four of 523 cases(50.5%) were positive and 259 cases(49.5%) were negative for CD24 *** hundred and two of 523 cases(96%) were negative and 21 cases(4%) were positive for CD44 *** clinicopathological analysis,CD133 expression was present more in male patients(P = 0.002) and in advanced T stage cancer(P = 0.024).Correlation between CD24 expression and clinicopathological factors was seen in the degree of differentiation(P = 0.006).Correlation between CD44 expression and clinicopathological factors was seen in the tumor size(P = 0.001).Survival was not significantly related to CD133,CD24 and CD44 ***:CD markers were related to invasiveness and differentiation of colorectal ***,CD expression was not closely related to survival.

关键词： CD133 CD24 CD44 Colon cancer stemcells Colorectal adenocarcinoma

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