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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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Evidence-based interventions of threatened miscarriage

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World Journal of Traditional Chinese Medicine 2017年第1期3卷 32-34页

作者： Juan Li Jing-shu Gao Chi Chiu Wang Ernest hy.ng Xiao-ke Wu Department of Traditional Chinese Medicine The First Affiliated Hospital of Guangzhou Medical University Department of Obstetrics & Gynaecology National Key Discipline and Clinical Base Heilongjiang University of Chinese Medicine Department of Obstetrics & Gynaecology The Chinese University of Hong Kong Hong Kong Special Administrative Region Department of Obstetrics & Gynaecology The University of Hong Kong Hong Kong Special Administrative Region

Threatened miscarriage is the commonest complication of early pregnancy and affects about 20% of pregnancies. It presents with vaginal bleeding with or without abdominal cramps. Increasing age of women, smoking, obesity or polycystic ovary syndrome(PCOS) and a previous history of miscarriage are risk factors for threatened miscarriage. The pathophysiology has been associated with changes in levels of cytokines or maternal immune dysfunction. Clinical history and examination, maternal serum biochemistry and ultrasound findings are important to determine the treatment options and provide valuable information for the prognosis. Bed rest is the commonest advice, but there is little evidence of its value. Other options include progesterone, human chorionic gonadotropin(HCG) and muscle relaxants. The complementary and alternative medicine(CAM) therapies such as acupuncture and Chinese herbs have also been tried. There is some evidence from clinical studies indicating that CAM therapies may reduce the rate of miscarriage, but the quality of studies is poor. Thus, further double-blind,randomized-controlled trials are necessary to confirm its effectiveness, especially acupuncture and Chinese herbs.

关键词： Threatened miscarriage Evidence-based Intervention Complementary and alternative medicine

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Effect of Letrozole,Berberine,or Their Combination for Infertility in Women with Polycystic Ovary Syndrome:Statistical Analysis Plan for a Multicenter Randomized Controlled Trial

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World Journal of Traditional Chinese Medicine 2016年第3期2卷 36-42页

作者： Hong-Li Ma Jing-Shu Gao Feng Tian Ernest hy.ng Xiao-Ke Wu Jian-Ping Liu Centre for Evidence-Based Chinese Medicine Beijing University of Chinese Medicine Department of Obstetrics and Gynecology First Affiliated HospitalHeilongjiang University of Chinese Medicine Institute of Basic Research in Clinical Medicine China Academy of Chinese Medical Sciences Department of Obstetrics and Gynaecology The University of Hong KongQueen Mary Hospital

Introduction:Letrozole showed higher ovulation and live birth rates than clomiphene in infertile women with polycystic ovary syndrome(PCOS).Berberine,a major active component of Chinese herbal medicine rhizomacoptidis,has been used to improve insulin resistance to facilitate ovulation induction in women with PCOS,but there is no study reporting the live birth or its potential as a complementary treatment to *** aim to determine the efficacy of letrozole with or without berberine in achieving live births among 644 infertile women with PCOS in China's *** and analysis:This is a prospective,randomized,multicentre,double-blinded,controlled *** women with PCOS were randomized into three-arm,letrozole and berberine,letrozole and berberine placebo,letrozole placebo and *** and blood were collected at baseline,the third month and sixth month after treatment,or immediately were collected if subject was *** and clinical investigators were blinded to treatment allocation and treatment related study results until the central database was locked for final data extraction and analysis *** statistical analysis plan described basic analysis principles,methods commonly encountered in data analysis issues,and the specific statistical procedures for analyzing the primary,secondary,and safety *** and dissemination:The study was approved by the ethics committee of the First Affiliated Hospital,Heilongjiang University of Chinese *** study findings will be disseminated through peer-reviewed publications and conference *** registration:Chinese Clinical Trial Registry:Chi *** *** identifier:NCT01116167.

关键词： Polycystic ovary syndrome Statistical analysis plan Randomized controlled trial Letrozole Berberine

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Assessment of disease activity by fecal immunochemical test in ulcerative colitis

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World Journal of Gastroenterology 2016年第48期22卷 10617-10624页

作者： Dae Gon Ryu hy.ng wook Kim Su Bum Park Dae Hwan Kang Cheol Woong choi Su Jin Kim hyeong Seok Nam Department of Internal Medicine Pusan National University School of Medicine and Research Institute for Convergence of Biomedical Science and Technology Pusan National University Yangsan Hospital

AIM To evaluate the efficacy of quantitative fecal immunochemical test(FIT) as biomarker of disease activity in ulcerative colitis(UC).METHODS Between February 2013 and November 2014, a total of 82 FIT results, obtained in conjunction with colonoscopies, were retrospectivelyevaluated for 63 patients with UC. The efficacy of FIT for evaluation of disease activity was compared to colonoscopic findings. Quantitative fecal blood with automated equipment examined from collected feces. Endoscopic disease severity were assessed using the Mayo endoscopic subscore(MES) classification. The extent of disease were classified by proctitis(E1), left sided colitis(E2), and extensive colitis(E3). Clinical activity were subgrouped by remission or *** All of 21 patients with MES 0 had negative FIT(ng/mL), but 22 patients with MES 2 or 3 had a mean FIT of > 134.89 ng/m L. The sensitivity, specificity, positive predictive value(PPV), negative predictive value(NPV) and accuracy of negative FIT about mucosal healing were 73.33%, 81.82%, 91.49%, 51.43% and 73.17%, respectively. The sensitivity, specificity, PPV, NPV and accuracy of predictive value of positive FIT(cutoff value > 100 ng/mL) about active disease status were 45.45%, 93.33%, 71.43%, 82.35%and 26.83%, respectively. Among patients with clinical remission, FIT was negative in 31(81.6%) of 38 cases, with a mean fecal hemoglobin concentration of 6.12 ng/mL(range, negative to 80.9 ng/mL) for this group of patients. Among patients with clinical active disease, FIT was negative in 16(36.4%) out of 44 cases, with a mean fecal hemoglobin concentration > 167.4 ng/mL for this group of patients. FIT was positively correlated with endoscopic activity(r = 0.626, P < 0.01) and clinical activity(r = 0.496, P < 0.01). But, FIT did not correlate with the extent of disease(r =-0.047, P = 0.676)CONCLUSION Quantitative FIT can be a non-invasive and effective biomarker for evaluation of clinical and endoscopic activity in UC, but not

关键词： Ulcerative colitis Fecal immunochemical test Mayo endoscopic subscore Biomarker Disease activity

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Modern mitral valve repair

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2003年

作者： choi-Keung ng in collaboration with Joachim Nesser ... [et al.].

来源：畅想之星图书光盘版（南... 评论

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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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The Role of ngO in the Establishment of Geopark and Promotion of Geoconservation:One Example from Hong Kong

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地学前缘 2009年第S1期16卷 73-73页

作者： Young C.Y.ng Cindy M.C.choi School of Geosciences University of Sydney Association for Geoconservation

A ngO can be extremely useful in assisting the government in the development of geopark and the promotion of geological *** example of Hong Kong demonstrates the flexibility,efficiency and professionalism of a ngO which reinforces the government’s determination to make possible the establishment of a geopark in Hong *** ngO plays active roles from initial preparation of proposal to final submission of *** initial presentations to government departments,other ngOs and the public have aroused extensive *** also raise concems which are carefully attended to during planning to avoid

关键词： ngO geopark geoconservation geological heritage Hong Kong

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第二家居室

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城市住宅 1997年第10期4卷 79-81页

作者： Louie ng Kenneth choi L/C Design

全屋无论是木围身、饰柜、门口、门框,都利用木的深浅色作对比,期望在有限的预算中,利用普通的材料也能增添特色。

关键词：居室室内装饰室内设计色彩对比

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Comparison of a novel bedside portable endoscopy device with nasogastric aspiration for identifying upper gastrointestinal bleeding

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World Journal of Gastroenterology 2014年第25期20卷 8221-8228页

作者： Jong Hwan choi Jae hyuk choi Yoo Jin Lee hy.ng Ki Lee Wang Yong choi Eun Soo Kim Kyung Sik Park Kwang Bum Cho Byoung Kuk Jang Woo Jin Chung Jae Seok Hwang Division of Gastroenterology and Hepatology Department of Internal Medicine Keimyung University School of MedicineDaegu 700-712South Korea

AIM: To compare outcomes using the novel portable endoscopy with that of nasogastric (ng) aspiration in patients with gastrointestinal bleeding.

关键词： Endoscopy Gastrointestinal bleeding Nasogastric aspiration

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Thermo-optically tunable spectral broadening in a nonlinear ultra-silicon-rich nitride Bragg grating

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Photonics Research 2021年第4期9卷 596-604页

作者： Yanmei Cao Ezgi Sahin Ju Won choi Peng Xing George F.R.Chen D.K.T.ng Benjamin J.Eggleton Dawn T.H.Tan Photonics Devices and Systems Group Singapore University of Technology and Design8 Somapah RoadSingapore 487372Singapore Current address:Photonic Systems Laboratory(PHOSL) Ecole Polytechnique Fédérale de LausanneSTI-IELStation 11CH-1015 LausanneSwitzerland Institute of Microelectronics A*STAR2 Fusionopolis Way#08-02Innovis TowerSingapore 138634Singapore Institute of Photonics and Optical Science School of PhysicsThe University of SydneySydneyNew South Wales 2006Australia The University of Sydney Nano Institute(Sydney Nano) The University of SydneySydneyNew South Wales 2006Australia

Spectral tunability methods used in optical communications and signal processing leveraging optical,electrical,and acousto-optic effects typically involve spectral truncation that results in energy *** we demonstrate temperature tunable spectral broadening using a nonlinear ultra-silicon-rich nitride device consisting of a 3-mm-long cladding-modulated Bragg grating and a 7-mm-long nonlinear channel *** operating at frequencies close to the grating band edge,in an apodized Bragg grating,we access strong grating-induced dispersion while maintaining low losses and high *** further exploit the redshift in the Bragg grating stopband due to the thermo-optic effect to achieve tunable dispersion,leading to varying degrees of soliton-effect compression and self-phase-modulation-induced spectral *** observe an increase in the bandwidth of the output pulse spectrum from 69 to 106 nm as temperature decreases from 70℃ to 25℃,in good agreement with simulated results using the generalized nonlinear Schrödinger *** demonstrated approach provides a new avenue to achieve on-chip laser spectral tuning without loss in pulse energy.

关键词： tunable tuning nonlinear

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