• Title/Summary/Keyword: Interaction Modeling

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Enhancement of the Chaperone Activity of Alkyl Hydroperoxide Reductase C from Pseudomonas aeruginosa PAO1 Resulting from a Point-Specific Mutation Confers Heat Tolerance in Escherichia coli

  • Lee, Jae Taek;Lee, Seung Sik;Mondal, Suvendu;Tripathi, Bhumi Nath;Kim, Siu;Lee, Keun Woo;Hong, Sung Hyun;Bai, Hyoung-Woo;Cho, Jae-Young;Chung, Byung Yeoup
    • Molecules and Cells
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    • v.39 no.8
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    • pp.594-602
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    • 2016
  • Alkyl hydroperoxide reductase subunit C from Pseudomonas aeruginosa PAO1 (PaAhpC) is a member of the 2-Cys peroxiredoxin family. Here, we examined the peroxidase and molecular chaperone functions of PaAhpC using a site-directed mutagenesis approach by substitution of Ser and Thr residues with Cys at positions 78 and 105 located between two catalytic cysteines. Substitution of Ser with Cys at position 78 enhanced the chaperone activity of the mutant (S78C-PaAhpC) by approximately 9-fold compared with that of the wild-type protein (WT-PaAhpC). This increased activity may have been associated with the proportionate increase in the high-molecular-weight (HMW) fraction and enhanced hydrophobicity of S78C-PaAhpC. Homology modeling revealed that mutation of $Ser^{78}$ to $Cys^{78}$ resulted in a more compact decameric structure than that observed in WT-PaAhpC and decreased the atomic distance between the two neighboring sulfur atoms of $Cys^{78}$ in the dimer-dimer interface of S78C-PaAhpC, which could be responsible for the enhanced hydrophobic interaction at the dimer-dimer interface. Furthermore, complementation assays showed that S78C-PaAhpC exhibited greatly improved the heat tolerance, resulting in enhanced1 survival under thermal stress. Thus, addition of Cys at position 78 in PaAhpC modulated the functional shifting of this protein from a peroxidase to a chaperone.

Computational Chemistry Study of CO2 Fixation and Cyclic Carbonate Synthesis Using Various Catalysts (촉매를 이용한 이산화탄소 고정화 및 고리형 카보네이트 합성반응에 대한 계산화학적 해석)

  • An, Hye Young;Kim, Min-Kyung;Jeong, Hui Cheol;Eom, Ki Heon;Won, Yong Sun
    • Clean Technology
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    • v.22 no.1
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    • pp.35-44
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    • 2016
  • In this study, a computational chemistry methodology called as molecular modeling was been applied to explain several experiment results mechanistically. The reaction chosen for this study was to remove carbon dioxide, known as a primary greenhouse gas, by an epoxide via the carbon dioxide fixation to produce carbonates. This reaction inherently needs the use of catalysts because it has a significantly high activation barrier (55~59 kcal/mol). Among various types of catalysts, we studied in zeolitic imidazolate framework 90 (ZIF-90)/ionic liquid immobilized ZIF-90 (IL-ZIF-90), polystyrene-supported quaternized ammonium salt, KI/KI-glycine, and dimethylethanolamine (DMEA). First, probable reaction pathways were proposed based on calculated energetics by computational chemistry. The energetics was then used for the thermodynamic interpretation on the activity of catalysts. In the case of ZIF-90/IL-ZIF-90 and KI/KI-glycine, IL-ZIF-90 and KI-glycine showed better yields compared to their counterparts. The calculation proposed interesting results that it is not from the lowering of activation energy but from the unstable intermediates of ZIF-90 and KI-glycine. For DMEA, the calculated activation energy was ~42 kcal/mol, much lower than that of the non-catalytic reaction. A possible reaction pathway was located to confirm the interaction between −NH group from ammonium and oxygen from epoxide for polystyrene-supported quaternized ammonium salt.

Simulation of Water Quality Changes in the Saemangeum Reservoir Induced by Dike Completion (방조제 완공에 따른 호내부 수질변화 모의)

  • Suh, Seung-Won;Lee, Hwa-Young;Yoo, Sang-Cheol
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.22 no.4
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    • pp.258-271
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    • 2010
  • In order to figure out hydrodynamic and water quality changes after completion of dike construction of the Saemangeum, which behaves as a semi-enclosed estuarine lake, numerical simulations based on fine grid structure by using EFDC were intensively carried out. In this study some limitations of precedent study has been improved and gate operation were considered. Also 3 phases such as air-water-sediment interaction modeling was considered. It is clear that inner mixing of the Saemangeum is dominated by Mankyeong and Dongjin riverine discharges rather than the gate opening influence through the Lagrangian particle tracking simulations. Vertical DO structure after the dike completion shows steep gradient especially at Dongjin river estuary due to lessen of outer sea water exchange. Increasing SOD at stagnantly changed man-made reservoir might cause oxygen deficiency and accelerating degradation of water quality. According to TSI evaluation test representing eutrophication status, it shows high possibility of eutrophication along Mankyeong waterway in spite of dike completion, while the index is getting high after final closing along Dongjin waterway. Numerical tests with gate operations show significant differences in water quality. Thus it should be noted that proper gate operation plays a major role in preserving target water quality and management for inner development plan.

Relationship between Digital Informatization Capability, Digital Informatization Accessability and Life Satisfaction of Disabled People: Multigroup Analysis of Perceived Social Support Network (장애인의 디지털정보화역량, 디지털정보화활용 수준, 일상생활만족도 간 관계: 지각된 사회적 지지망 수준에 따른 다집단 분석)

  • Yeon, Eun Mo;Choi, Hyo-Sik
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.20 no.12
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    • pp.636-644
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    • 2019
  • The purpose of this study is to explore practical intervention strategies by identifying the relationships among digital informatization capacity, level of digital informatization accessability and life satisfaction of disabled people and to determine differences among these relationships depending on perceived level of social support networks. The participants were 1,639 disabled people from the 2017 digital information gap survey and the results, based on structural equation modeling and multi-group analysis, are as follows. First, digital informatization capacity has a positive influence on the level of digital informatization accessability(β=.65), and life satisfaction(β=.08). The level of digital informatization accessability also has positive influence on life satisfaction(β=.44). Second, the analysis result of the mediated effects of digital informatization accessability level between digital informatization capacity and life satisfaction was significant at a level (β=.29) even greater than the direct effect of digital informatization capacity on life satisfaction. Third, digital information capacity and digital informatization accessability have an influence on life satisfaction regardless of their perceived level of social support. The findings suggest that creating online environments where disabled people can enjoy leisure, culture, and social interaction with high accessibility and utility are as important as providing education for improving their digital informatization capacity.

A Study on the Utilization of Video Industry Using Virtual Reality (가상현실을 이용한 영상산업 활용에 관한 연구)

  • 백승만
    • Archives of design research
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    • v.15 no.1
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    • pp.163-170
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    • 2002
  • Virtual Reality is the technique which makes the man experience the similar interaction behavior to the experience in the real world through virtual space. The users participating in the 3D virtual space using virtual reality technique can have the various experiences in the space desired without restrictions on time and space and then it has been applied in many application areas such as video industry, entertainment simulator, medical treatment, construction and design. The area of video among them has been highlighted as a high-added value industry. Therefore this study classifies video industry into four including movie, broadcasting, advertisement and internet and is to examine their characteristics, application cases and developmental potential. In the industry using virtual reality technique in video industry, it is implied for special elect in the area of movie and for providing the various graphic virtual word to audiences with the introduction of virtual studio and character in the area of broadcasting. It can give audiences a synergy effect by inserting 3D advertisement into virtual space in the area of advertisement. Also the implementation of 3D virtual reality such as virtual museum, virtual model house, virtual home shopping and entertainment on the web is possible with the emergence of Virtual Reality Modeling Language (VRML) and it plays the roles of more entertainments. Accordingly, this study is to seek the application methods using virtual reality technique in video industry.

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Application model research on visualizing anti-inflammation effects by using the virtual cell (가상세포를 활용한 항염증 효능 응용모델 연구)

  • Kim, Chul;Yea, Sang-Jun;Kim, Jin-Hyun;Kim, Sang-Kyun;Jang, Hyun-Chul;Kim, An-Na;Nam, Ky-Youb;Song, Mi-Young
    • Herbal Formula Science
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    • v.18 no.2
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    • pp.227-239
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    • 2010
  • Objective : The purpose of this study was to develop the simulator which can analyze the anti-inflammatory effects of herbs based on e-cell, or the virtual cell. Method : We have ensured the medical herbs and its active compounds by investigating the oriental medicine records and NBCI(Biomedicine database). Also we have developed the web-based search system for confirming database related to anti-inflammation. We have researched the cell signal pathway related with inflammatory response control and established the mathematical model of herb interaction on selected signal pathway in e-cell. Finally we have developed the prototype which can confirm the result of this model visibly. Results : We constructed the database of 62 cases of anti-inflammatory active compounds in 61 cases of medical herbs which have been known anti-inflammation effects in the paper, 16 cases of inflammatory factors, 10 cases of signal pathways related with inflammatory response and 6,834 cases of URL(Uniform Resource Locator) of referenced papers. And we embodied the web-based research system, which can research this database. User can search basic and detailed information of medical plants related with anti-inflammatory by using information system. And user can acquire information on an active compounds, a signal pathway and a link URL of related paper. Among investigated ten pathways, we selected NF-${\kappa}B$, which plays important role in activation of immune system, and we searched the mechanisms of actions of proteins which could be components of this pathway. We reduced total network into IKK-$I{\kappa}B$ - NF-${\kappa}B$, and completed mathematic modeling by using ordinary differential equations and response variables of $I{\kappa}B-NF-{\kappa}B$ signaling model network which is suggested by Baltimore Group. We designed OED(Ordinary Differential Equation) for response of IKK, $I{\kappa}B$, $NF-{\kappa}B$ in e-cell's cytoplasm and nucleus, and measured whether an active compound of medicinal plants which is inputted by an user would have a anti-inflammation effects in obedience to change in concentration over time. The proposed model was verified by using experimental results of the papers which are listed on NCBI.

A meta analysis of the climate change impact on rice yield in South Korea (기후변화가 국내 쌀 생산량에 미치는 영향에 대한 메타분석)

  • Shin, Deok Ha;Lee, Mun Su;Park, Ju-Hyun;Lee, Yung-Seop
    • Journal of the Korean Data and Information Science Society
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    • v.26 no.2
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    • pp.355-365
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    • 2015
  • As the global climate has dramatically changed over the past decades, there has been active research on evaluating its effects on food security, which has been recognized as one of the most important issues in the field. In this study, we analyzed the impact of the climate change on the Korean agriculture using meta-analysis methods. Especially, our research focus is on estimating the effect of CO2 concentration and two adaptations (planting-date and cultivar adjustments)on rice that accounts for a larger proportion of the Korean domestic agriculture. Unlike traditional general meta-analysis methods that use summary statistics of effects of interest, meta analysis specific to the agriculture literature was conducted by integrating the data on rice yield that were generated under various CO2 emission scenarios and general circulating models of the 6 collected individual studies. As a modeling approach, the rice yield change ratio was set as the dependent variable and the main and interaction effects of CO2 concentration and adaptation were considered as independent variables in a regression model, As a result, CO2 is estimated to have opposite effects on rice yield depending on whether any of the two adaptations is applied or not; decreasing effect without adaptation and increasing effect with adaptation. In addition, it turns out that the cultivar adjustment has a higher increasing effect on rice yield than the planting-date adjustment. The results of the study are expected to be used as basic quantitative data for establishing responsive polices to the future climate changes.

Lower the Detection Limits of Accelerator Mass Spectrometry

  • John A., Eliades;Song, Jong-Han;Kim, Jun-Gon;Kim, Jae-Yeol;O, Jong-Ju;Kim, Jong-Chan
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.02a
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    • pp.243-244
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    • 2013
  • Over the past 15 years, several groups have incorporated radio-frequency quadrupole (RFQ) based instruments before the accelerator in accelerator mass spectrometry (AMS) systems for ion-gas interactions at low kinetic energy (<40 eV). Most AMS systems arebased on a tandem accelerator, which requires negative ions at injection. Typically, AMS sensitivity abundance ratios for radioactive-to-stable isotope are limited to Xr/Xs >10^-15, and the range of isotopes that can be analyzed is limited because of theneed to produce rather large negative ion beams and the presence of atomic isobaric interferences after stripping. The potential of using low-kinetic energy ion-gas interactions for isobar suppression before the accelerator has been demonstrated for several negative ion isobar systems with a prototype RFQ system incorporated into the AMS system at IsoTrace Laboratory, Canada (Ontario, Toronto). Requisite for any such RFQ system applied to very rare isotope analysis is large transmission of the analyte ion. This requires proper phase-space matching between the RFQ acceptance and the ion beam phase space (e.g. 35 keV, ${\varphi}3mm$, +-35 mrad), and the ability to control the average ion energy during interactions with the gas. A segmented RFQ instrument is currently being designed at Korea Institute for Science and Technology (한국과학기술연구원, KIST). It will consist of: a) an initial static voltage electrode deceleration region, to lower the ion energy from 35 keV down to <40 eV at injection into the first RFQ segment; b) the segmented quadrupole ion-gas interaction region; c) a static voltage electrode re-acceleration region for ion injection into a tandem accelerator. Design considerations and modeling will be discussed. This system should greatly lower the detection limits of the 6 MV AMS system currently being commissioned at KIST. As an example, current detection sensitivity of 41Ca/Ca is limited to the order of 10^-15 while the 41Ca/Ca abundance in modern samples is typically 41Ca/Ca~10^-14 - 10^-15. The major atomic isobaric interference in AMS is 41K. Proof-of-principal work at IsoTrace Lab. has demonstrated that a properly designed system can achieve a relative suppression of KF3-/41CaF3- >4 orders of magnitude while maintaining very high transmission of the 41CaF3- ion. This would lower the 41Ca detection limits of the KIST AMS system to at least 41Ca/Ca~10^-19. As Ca is found in bones and shells, this would potentially allow direct dating of valuable anthropological archives and archives relevant to our understanding of the most pronounced climate change events over the past million years that cannot be directly dated with the presently accessible isotopes.

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Influence of Private Tutoring on Middle School Student's Achievement According to the Experience of Gifted Education (사교육과 영재교육 참여경험이 중학생의 수학성취도에 미치는 영향)

  • Park, Sun Heung;Han, Ki-Soon
    • Journal of Gifted/Talented Education
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    • v.23 no.1
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    • pp.49-65
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    • 2013
  • The purpose of this study is to investigate the longitudinal impact of the engagement of private tutoring on student achievement and the influence of the engagement of gifted education on the effect of private tutoring by applying hierarchical linear growth modeling technique on the KELS (Korean Education Longitudinal Study) data. For the analysis, we used KELS data including the score of Mathematics achievement from 2005 to 2007 in order to get useful variables like whether or not to engage private tutoring, weekly time and monthly cost of private tutoring, the experience of gifted education, gender, prior achievement of 6th grade, parents' monthly income, internal motivation and self-efficacy. The sample consisted of 4,435 7th graders from Korean middle schools who were included in the KELS and have the data available to a significant dataset having no missing values include. The result suggest that the private tutoring experience predicted students' high Mathematics achievement and the interaction between grade and private tutoring time and cost has negative impact on the mathematics achievement. In contrast, it was found that the experience of gifted education has negative impact on the growth of mathematics achievement, but positive impact on the effect of private tutoring cost on the mathematics achievement. In other words, the experience of gifted education shows affirmative impact on the effect of private tutoring cost on the mathematics achievement indirectly. On the basis of this results, we discussed deeply the effect of private tutoring on the Mathematics achievement and the influence and its meaning of the experience of gifted education on the effect of private tutoring.

The Spatial Composition for Animation Competency Education -By Focusing on the Studio Environment and Spatial Composition of Walt Disney (애니메이션 분야 역량기반 교육을 위한 공간구성 -Walt Disney스튜디오 작업환경과 공간구성 사례를 중심으로)

  • Lee, Hyun-seok
    • Cartoon and Animation Studies
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    • s.46
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    • pp.1-22
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    • 2017
  • The practical learning requires the new paradigm in its content of education and environment along with the rapid development of information communication technology and the expansion of digital content industry. Especially, the animation education, core area of digital content industry, has attempted to improve the content and method of education by focusing on creativity, convergence and practical education. However, education environment in the previous form of computer laboratory has not been reflected the characteristics of animation education. In the light of this, this research would suggests the effective education environment implemented animation job competency and the characteristics of animation production. Firstly, the problem of previous educational environment will be explored through looking at computer rooms of domestic Universities. The characteristics of animation production consisted of Pre-production, Main-production, Post-production and elements of animation job competency will be reviewed by focusing on three phases of production, Pre-production, Main-production and Post-production, and six particular jobs, concept art, modeling & texturing, animating, lighting, VFX and compositing. Secondly, 6 types of space adapted from space syntax, possibly explored the embedded meaning of the structure of space and environment, will be reviewed by focusing on integration, separation and interaction. Thirdly, based on the characteristics of animation production, the element of animation job competency, 6 types of space, analytical tools about animation project education will be deducted, and the case study regarding animation studio, Walt Disney studio, will be processed by focusing on its production environment and spatial composition by focusing on Pre-production, Main-production, Post-production. Fifthly, the effective spatial composition for animation project education will be explored based on the interpretation of literature reviews and case study. In regard to this, the research addresses the spatial composition reflected the characteristics of practical learning and job competency in animation education, which differs from the previous form of standardized education spaces.