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Computer Simulation Study of Biopolymer Betanova

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Journal of Materials Science and Chemical Engineering 2015年第12期3卷 8-11页

作者： seung-yeon kim School of Liberal Arts and Sciences Korea National University of Transportation Chungju Republic of Korea

Betanova is a monomeric, three-stranded antiparallel beta-sheet protein with twenty residues. The pathways between the folded native structure and unfolded conformations of betanova are studied using UNRES force field and the most popular computer simulation method, Metropolis Monte Carlo algorithm. At a fixed temperature, 100 Monte Carlo simulations are performed, starting from the folded native structure, and the pathways are obtained at two different temperatures.

关键词： Keywords Biopolymer Protein Monte Carlo Simulation

Development of CMAQ for East Asia CO_2 data assimilation under an EnKF framework: a first result

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Chinese Science Bulletin 2014年第25期59卷 3200-3208页

作者： Zhekun Huang Zhen Peng Hongnian Liu Meigen Zhang Xiaoguang Ma Shu-Chih Yang Sang-Deok Lee seung-yeon kim School of Atmospheric Sciences Nanjing University State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry Institute of Atmospheric PhysicsChinese Academy of Sciences RIKEN Advanced Institute for Computational Science Kobe 650-0047 Japan National Institute of Environmental Research Incheon 404-708Republic of Korea

Under an Ensemble Kalman Filter(EnKF)framework,Regional Atmospheric Modeling System and Models-3 Community Multi-scale Air Quality(RAMS–CMAQ)modeling system is developed to be a CO2data assimilation system EnKF–CMAQ,and the EnKF–CMAQ system is then applied to East Asia for validation with real continuous surface CO2concentration observations available in the study domain instead of using an observation simulation system *** with an experimental period of January 23 to February 7,2007 are conducted,and the experimental results of the EnKF–CMAQ system and the RAMS–CMAQ model are compared against continuous surface CO2observations from assimilation sites and independent reference *** of daily mean CO2concentration increments show that the EnKF–CMAQ system confines the update of daily mean CO2within areas nearby and downwind of the assimilation *** the CO2concentration ensemble spreads and background error covariances show flow-dependent *** results indicate the crucial role of wind transport in the CO2data assimilation,which agrees with the previous *** average bias and the average root-mean-square error(RMSE)of daily mean CO2concentration at the assimilation sites are reduced by 1.00 and1.83 ppm,respectively,and those at the reference sites are reduced by 0.24 and 0.22 ppm,*** results demonstrate the EnKF–CMAQ system is capable of assimilating the continuous surface CO2concentration observations to improve the simulation accuracy of the atmospheric CO2synoptic *** growing CO2observations over East Asia are being available nowadays,this work is our first step to generate consistent spatial and temporal atmospheric CO2concentration fields over East Asia,particularly over China,using both in situ and satellite observations.

关键词：大气CO2浓度卡尔曼滤波数据同化集合区域大气模拟系统东亚框架开发

Spatial and spectral measurement of laser-driven protons through radioactivation

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Nuclear Science and Techniques 2023年第12期34卷 30-39页

作者： Yin‑Ren Shou Xue‑Zhi Wu Gwang‑Eun Ahn seung yeon kim Seong Hoon kim Hwang Woon Lee Jin Woo Yoon Jae Hee Sung Seong Ku Lee Xue‑Qing Yan Il Woo Choi Chang Hee Nam Center for Relativistic Laser Science Institute for Basic ScienceGwangju 61005Republic of Korea School of Physics Peking UniversityBeijing 100871China Advanced Photonics Research Institute Gwangju Institute of Science and TechnologyGwangju 61005Republic of Korea Department of Physics and Photon Science Gwangju Institute of Science and TechnologyGwangju 61005Republic of Korea

The simultaneous measurement of the spatial profile and spectrum of laser-accelerated protons is important for further optimization of the beam qualities and *** report a detailed study regarding the underlying physics and regular procedure of such a measurement through the radioactivation of a stack composed of aluminum,copper,and CR-39 plates as well as radiochromic films(RCFs).After being radioactivated,the copper plates are placed on imaging plates(IPs)to detect the positrons emitted by the reaction products through contact *** spectrum and energy-dependent spatial profile of the protons are then obtained from the IPs and confirmed by the measured ones from the RCFs and CR-39 *** also discuss the detection range,influence of electrons,radiation safety,and spatial resolution of this ***,insights regarding the extension of the current method to online measurements and dynamic proton imaging are also provided.

关键词： Laser-driven proton acceleration Proton-induced nuclear reaction Radioactivation measurement Contact imaging

Electrochemical biosensors for point-of-care testing

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Bio-Design and Manufacturing 2024年第4期7卷 548-565页

作者： Jinsol kim Juho Jeong seung Hwan Ko Department of Mechanical Engineering Seoul National UniversitySeoul 08826Republic of Korea Institute of Advanced Machinery and Design(SNU-IAMD) Seoul National UniversitySeoul 08826Republic of Korea

Point-of-care testing(POCT)is the practice of diagnosing and monitoring diseases where the patient is located,as opposed to traditional treatment conducted solely in a medical laboratory or other clinical *** has been less common in the recent past due to a lack of portable medical devices capable of facilitating effective medical ***,recent growth has occurred in this field due to advances in diagnostic technologies,device miniaturization,and progress in wearable *** these developments,electrochemical sensors have attracted interest in the POCT field due to their high sensitivity,compact size,and *** are used in various applications,from disease diagnosis to health status *** this paper we explore recent advancements in electrochemical sensors,the methods of fabricating them,and the various types of sensing mechanisms that can be ***,we delve into methods for immobilizing specific biorecognition elements,including enzymes,antibodies,and aptamers,onto electrode surfaces and how these sensors are used in real-world POCT settings.

关键词： Point-of-care testing(POCT) Electrochemical sensor Enzyme Antibody Health care

Impact of Transition Metal Layer Vacancy on the Structure and Performance of P2 Type Layered Sodium Cathode Material

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Nano-Micro Letters 2024年第11期16卷 340-358页

作者： Orynbay Zhanadilov Sourav Baiju Natalia Voronina Jun Ho Yu A.-yeon kim Hun‑Gi Jung Kyuwook Ihm Olivier Guillon Payam Kaghazchi seung‑Taek Myung Department of Nanotechnology and Advanced Materials Engineering and Sejong Battery Institute Hybrid Materials Research CenterSejong University98 Gunja‑DongGwangjin‑GuSeoul 05006South Korea Institute of Energy and Climate Research‑Materials Synthesis and Processing(IEK‑1) Forschungszentrum Jülich GmbH52425 JülichGermany Center for Energy Storage Research Korea Institute of Science and TechnologySeoul 02792South Korea KIST‑SKKU Carbon‑Neutral Research Center Sungkyunkwan UniversitySuwon 16419South Korea Department of Energy Science Sungkyunkwan UniversitySuwon 16419South Korea Pohang Accelerator Laboratory 80 Jigokro‑127‑BeongilNam‑GuPohangGyeongbuk 37673South Korea MESA+Institute for Nanotechnology University of Twente7500 AE EnschedeThe Netherlands

This study explores the impact of introducing vacancy in the transition metal layer of rationally designed Na_(0.6)[Ni_(0.3)Ru_(0.3)Mn_(0.4)]O_(2)(NRM)cathode *** incorporation of Ru,Ni,and vacancy enhances the structural stability during extensive cycling,increases the operation voltage,and induces a capacity increase while also activating oxygen redox,respectively,in Na_(0.7)[Ni_(0.2)V_(Ni0.1)Ru_(0.3)Mn_(0.4)]O_(2)(V-NRM)*** analytical techniques including transmission electron microscopy,X-ray absorption near edge spectroscopy,operando X-ray diffraction,and operando differential electrochemical mass spectrometry are employed to assess changes in the average oxidation states and structural *** results demonstrate that V-NRM exhibits higher capacity than NRM and maintains a moderate capacity retention of 81%after 100 ***,the formation of additional lone-pair electrons in the O 2p orbital enables V-NRM to utilize more capacity from the oxygen redox validated by density functional calculation,leading to a widened dominance of the OP4 phase without releasing O_(2) *** findings offer valuable insights for the design of advanced high-capacity cathode materials with improved performance and sustainability in sodium-ion batteries.

关键词： Layered oxide Oxygen evolution Sodium battery Vacancy Cathode

NIR emissive Ru(Ⅱ)metallacycle as a sonosensitizer/sonocatalyst assisting in vivo bacterial diagnosis and eradicating multidrug-resistant biofilms

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Science China Chemistry 2024年第9期67卷 2785-2786页

作者： Chonglu Li Qihang Ding Jong seung kim School of Medicine Wuhan University of Science and TechnologyWuhan 430065China Department of Chemistry Korea UniversitySeoul 02841Republic of Korea

Microbial biofilm-related infections present a significant global health challenge,posing a major threat to public health systems[1].Biofilms,complex structures formed by the aggregation of microorganisms,are commonly found on medical devices,human tissue surfaces,and in natural environments[2].These biofilms exhibit high levels of antibiotic resistance and survival stability,rendering traditional antibiotic treatments ineffective in eradicating infections[3].

关键词： diagnosis dic rendering

Mixed-dimensional stacked nanocomposite structures for a specific wavelength-selectable ambipolar photoresponse

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Nano Research 2024年第6期17卷 5549-5558页

作者： Young Jae Park Jaeho Shim Joo Song Lee Kyu seung Lee Ji-yeon kim Kang Bok Ko Sang-Youp Yim Seongjun kim Hoon-Kyu Shin Donghee Park Yong Ju Yun Dong Ick Son Institute of Advanced Composite Materials Korea Institute of Science and TechnologyJeollabuk-do 55324Republic of Korea National Institute for Nanomaterials Technology Pohang University of Science and TechnologyGyeongsangbuk-do 37673Republic of Korea Department of Semiconductor Science and Technology Semiconductor Physics Research CenterJeonbuk National UniversityJeonju 54896Republic of Korea Advanced Photonics Research Institute Gwangju Institute of Science and TechnologyGwangju 61005Republic of Korea Center for Opto-Electronic Materials and Devices Post-Silicon Semiconductor InstituteKorea Institute of Science and TechnologySeoul 02792Republic of Korea Graduate School of Energy and Environment(KU-KIST Green School) Korea UniversitySeoul 02841Republic of Korea KIST School Department of Nanomaterials and Nano ScienceUniversity of Science and Technology(UST)Daejeon 34113Republic of Korea

Mixed-dimensional composite structures using zero-dimensional(0D)quantum dots(QDs)and two-dimensional(2D)transition metal dichalcogenides(TMDs)materials are expected to attract great interest in optoelectronics due to the potential to generate new optical ***,we report on the unique optical characteristics of a devices with mixed dimensional vertically stacked structures based on tungsten diselenide(WSe_(2))/CdSeS QDs monolayer/molybdenum disulfide(MoS_(2))(2D/0D/2D).Specifically,it exhibits an ambipolar photoresponse characteristic,with a negative photoresponse observed in the 400-600 nm wavelength range and a positive photoresponse appeared at 700 nm *** resulted in the high negative responsivity of up to 52.22 mA·W^(−1)under 400 nm,which is 163 times higher than that of the photodetector without CdSeS *** also demonstrated the negative photoresponse,which could be due to increased carrier collision probability and non-radiative *** modeling and simulation reveal that Auger recombination among the types of non-radiative recombination is the main cause of negative photocurrent ***,we discovered ambipolar photoresponse near a specific wavelength corresponding to the energy of quantum *** study revealed interesting phenomenon in the mixed low-dimensional stacked structure and paved the way to exploit it for the development of innovative photodetection materials as well as for optoelectronic applications.

关键词： mixed-dimension quantum dot heterostructure photodetector ambipolar photoresponse

MXene-based hybrid materials for electrochemical and photoelectrochemical H_(2) generation

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Journal of Energy Chemistry 2024年第6期93卷 111-125,I0004页

作者： Jun Young kim seung Hun Roh Chengkai Xia Uk Sim Jung Kyu kim School of Material Science and Engineering North University of ChinaTaiyuan 030051China School of Chemical Engineering Sungkyunkwan University(SKKU)2066Seobu-roJangan-guSuwon 16419Republic of Korea Hydrogen Energy Technology Laboratory Korea Institute of Energy Technology(KENTECH)NajuJeollanamdo 58330Republic of Korea SKKU Advanced Institute of Nano Technology(SAINT) Sungkyunkwan University(SKKU)2066Seobu-roJangan-guSuwon 16419Republic of Korea

The conversion of solar energy to produce clean hydrogen fuel through water splitting is an emerging strategy for efficiently storing solar energy in the form of solar *** aligns with the increasing global demand for the development of an ideal energy alternative to fossil fuels that does not emit greenhouse ***(EC) and photoelectrochemical(PEC) water splitting technologies have garnered significant attention worldwide for advanced hydrogen solar fuel production in recent *** achieve sustainable green H_(2) production,it is essential to create efficient catalyst materials that are low-cost and can replace expensive noble metal-based *** characteristics make them an ideal catalyst material for the ***-dimensional MXenes with M_(n+1)X_(n) structure have been identified as a promising option for EC and PEC water splitting due to their superior hydrophilicity,metal-like conductivity,large surface area,and adjustable surface ***,we present a summary of recent advancements in the synthesis and performance enhancement methods for MXene hybrid materials in hydrogen production through EC and PEC water ***,we examine the challenges and insights associated with the rational design of MXene-based hybrid materials to facilitate efficient water splitting for sustainable solar fuel production.

关键词： MXene Hybrid materials EC PEC HER OER Water splitting

A lysosomal-targeted Pt(Ⅱ) metallacycle for NIR-Ⅱ fluorescence imaging guided highly efficient tumor immunogenic cell death

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Science China Chemistry 2024年第11期67卷 3508-3509页

作者： Qihang Ding Shuai Zhang Jong seung kim Department of Chemistry Korea University Department of Medical Oncology Harbin Medical University Cancer Hospital

Cisplatin, carboplatin, and oxaliplatin are well-known firstline antineoplastic drugs that have been approved worldwide. Recently, the successful integration of chemotherapy and immunotherapy in clinical trials has hi...

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