• Title/Summary/Keyword: Modeling Methods

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Binding Mode Analysis of Bacillus subtilis Obg with Ribosomal Protein L13 through Computational Docking Study

  • Lee, Yu-No;Bang, Woo-Young;Kim, Song-Mi;Lazar, Prettina;Bahk, Jeong-Dong;Lee, Keun-Woo
    • Interdisciplinary Bio Central
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    • v.1 no.1
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    • pp.3.1-3.6
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    • 2009
  • Introduction: GTPases known as translation factor play a vital role as ribosomal subunit assembly chaperone. The bacterial Obg proteins ($Spo{\underline{0B}}$-associated ${\underline{G}}TP$-binding protein) belong to the subfamily of P-loop GTPase proteins and now it is considered as one of the new target for antibacterial drug. The majority of bacterial Obgs have been commonly found to be associated with ribosome, implying that these proteins may play a fundamental role in ribosome assembly or maturation. In addition, one of the experimental evidences suggested that Bacillus subtilis Obg (BsObg) protein binds to the L13 ribosomal protein (BsL13) which is known to be one of the early assembly proteins of the 50S ribosomal subunit in Escherichia coli. In order to investigate binding mode between the BsObg and the BsL13, protein-protein docking simulation was carried out after generating 3D structure of the BsL13 structure using homology modeling method. Materials and Methods: Homology model structure of BsL13 was generated using the EcL13 crystal structure as a template. Protein-protein docking of BsObg protein with ribosomal protein BsL13 was performed by DOT, a macro-molecular docking software, in order to predict a reasonable binding mode. The solvated energy minimization calculation of the docked conformation was carried out to refine the structure. Results and Discussion: The possible binding conformation of BsL13 along with activated Obg fold in BsObg was predicted by computational docking study. The final structure is obtained from the solvated energy minimization. From the analysis, three important H-bond interactions between the Obg fold and the L13 were detected: Obg:Tyr27-L13:Glu32, Obg:Asn76-L13:Glu139, and Obg:Ala136-L13:Glu142. The interaction between the BsObg and BsL13 structures were also analyzed by electrostatic potential calculations to examine the interface surfaces. From the results, the key residues for hydrogen bonding and hydrophobic interaction between the two proteins were predicted. Conclusion and Prospects: In this study, we have focused on the binding mode of the BsObg protein with the ribosomal BsL13 protein. The interaction between the activated Obg and target protein was investigated with protein-protein docking calculations. The binding pattern can be further used as a base for structure-based drug design to find a novel antibacterial drug.

Investigation into influence of sound absorption block on interior noise of high speed train in tunnel (터널 내부 도상 블록형 흡음재의 고속철도차량 내부 소음에 미치는 영향에 대한 고찰)

  • Lee, Sang-heon;Cheong, Cheolung;Lee, Song-June;Kim, Jae-Hwan;Son, Dong-Gi;Sim, Gyu-Cheol
    • The Journal of the Acoustical Society of Korea
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    • v.37 no.4
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    • pp.223-231
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    • 2018
  • Recently, due to various environmental problems, blast tracks in tunnel are replaced with concrete tracks, but they have more adverse effects on noise than blast tracks so that additional noise measures are needed. Among these measures, sound-absorbing blocks start to be used due to its easy and quick installation. However, the performance of sound absorption blocks need to be verified under real environmental and operational conditions. In this paper, interior noise levels in KTX train cruising in Dalseong tunnel are measured before and after the installation of sound-absorbing blocks and the measured data are analyzed and compared. Additionally, noise reduction are estimated by modeling the high speed train, the tunnel and absorption blocks. Measurement devices and methods are used according to ISO 3381 and the equivalent sound pressure levels during the cruising time inside the tunnel are computed. In addition to overall SPLs(Sound Pressure Levels), 1/3-octave-band levels are also analyzed to account for the frequency characteristics of sound absorption and equipment noise in a cabin. In addition, to consider the effects of train cruising speeds and environmental conditions on the measurements, the measured data are corrected by using those measured during the train-passing through the tunnels located before and behind the Dalseong tunnel. Analysis of measured results showed that the maximum noise reduction of 6.8 dB (A) can be achieved for the local region where the sound-absorbing blocks are installed. Finally, through the comparison of predicted 1/3-octave band SPLs for the KTX interior noise with the measurements, the understanding of noise reduction mechanism due to sound-absorbing blocks is enhanced.

An Initiative Study on Relationship between Algal Blooms and Asian Dust for Regulation of Algal Blooms (조류 성장 억제를 위한 녹조 및 적조 발생과 황사의 상관관계 초기적 연구)

  • Kim, Tai-Jin;Jeong, Jaechil;Seo, Rabeol;Kim, Hyung Moh;Kim, Dae Geun;Chun, Youngsin;Park, Soon-Ung;Yi, Sehyoon;Park, Jun Jo;Lee, Jin Ha;Lee, Jay J.;Lee, Eun Ju
    • KSBB Journal
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    • v.29 no.4
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    • pp.285-296
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    • 2014
  • Although the problems of the algal blooms have been world-widely observed in freshwater, estuary, and marine throughout the year, it is not yet certain what are the basic causes of such blooms. Consequently, it is very difficult to predict when and where algal blooms occur. The constituents of the Asian dust are in a good agreement with the elements required for the algal growth, which suggests some possible relationship between the algal blooms and the Asian dust. There have been frequently algal blooms in drinking water from rivers or lakes. However, there is no any algal blooms in upwelling waters where the Asian dust cannot penetrate into the soil due to its relatively weak settling velocity (size of particles, $4.5{\pm}1.5{\mu}m$), which implies the possible close relationship of the Asian dust with algal blooms. The present initiative study is thus intended firstly in Korea to illustrate such a relationship by reviewing typical previous studies along with 12 years of weekly iron profiles (2001~2012) and two slant culture experiments with the dissolved Asian dust. The result showed bacterial suspected colonies in the slant culture experiment that are qualitatively in a good agreement with the recent Japanese studies. Since the diatoms require cheap energy (8%) compared to other phytoplankton (100%) to synthesize their cell walls by silicate, the present results can be used to predict algal blooms by diatoms if the concentrations of iron and silicate are available during spring and fall. It can be postulated that the algal blooms occur only if the environmental factors such as light, nutrients, calm water surface layer, temperature, and pH are simultaneously satisfied with the requirements of the micronutrients of mineral ions supplied by the Asian dust as enzymatic cofactors for the rapid bio-synthesis of the macromolecules during algal blooms. Simple eco-friendly methods to regulate the algal blooms are suggested for the initial stage of blooming with limited area: 1) to cover up the water surface with black curtain and inhibit photosynthesis during the day time, 2) to blow air (20.9%) or pure oxygen into the bottom of the water and inhibit rubisco for carbon uptake and nitrate reductase for nitrogen uptake activities in algal growth during the night, 3) to eliminate the resting spores or cysts by suction of bottom sediments as deep as 5 cm to prevent the next year germinations.

Review of Remote Sensing Studies on Groundwater Resources (원격탐사의 지하수 수자원 적용 사례 고찰)

  • Lee, Jeongho
    • Korean Journal of Remote Sensing
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    • v.33 no.5_3
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    • pp.855-866
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    • 2017
  • Several research cases using remote sensing methods to analyze changes of storage and dynamics of groundwater aquifer were reviewed in this paper. The status of groundwater storage, in an area with regional scale, could be qualitatively inferred from geological feature, surface water altimetry and topography, distribution of vegetation, and difference between precipitation and evapotranspiration. These qualitative indicators could be measured by geological lineament analysis, airborne magnetic survey, DEM analysis, LAI and NDVI calculation, and surface energy balance modeling. It is certain that GRACE and InSAR have received remarkable attentions as direct utilization from satellite data for quantification of groundwater storage and dynamics. GRACE, composed of twin satellites having acceleration sensors, could detect global or regional microgravity changes and transform them into mass changes of water on surface and inside of the Earth. Numerous studies in terms of groundwater storage using GRACE sensor data were performed with several merits such that (1) there is no requirement of sensor data, (2) auxiliary data for quantification of groundwater can be entirely obtained from another satellite sensors, and (3) algorithms for processing measured data have continuously progressed from designated data management center. The limitations of GRACE for groundwater storage measurement could be defined as follows: (1) In an area with small scale, mass change quantification of groundwater might be inaccurate due to detection limit of the acceleration sensor, and (2) the results would be overestimated in case of combination between sensor and field survey data. InSAR can quantify the dynamic characteristics of aquifer by measuring vertical micro displacement, using linear proportional relation between groundwater head and vertical surface movement. However, InSAR data might now constrain their application to arid or semi-arid area whose land cover appear to be simple, and are hard to apply to the area with the anticipation of loss of coherence with surface. Development of GRACE and InSAR sensor data preprocessing algorithms optimized to topography, geology, and natural conditions of Korea should be prioritized to regionally quantify the mass change and dynamics of the groundwater resources of Korea.

Dose Distribution and Characterization for Radiation Fields of Multileaf Collimateor System (방사선 입체조형치료용 다엽콜리메이터의 특성과 조직내 선량분포 측정)

  • Chu, Sung-Sil;Kim, Gwi-Eon
    • Radiation Oncology Journal
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    • v.14 no.1
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    • pp.77-85
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    • 1996
  • Purpose : Multileaf collimator(MLC) is very suitable tool for conformal radio-therapy and commissioning measurements for a multileaf collimator installed on a dual energy accelerator with 6 and 10MV photons are required, For modeling the collimator with treament planning software, detailed dosimetric characterization of the multileaf collimator including the penumbra width, leaf transmission between leaf leakage and localization of the leaf ends and sides is an essential requirement. materials and Methods : Measurement of characteristic data of the MLC with 26 pair block leaves installed on CLINAC 2100C linear accelerator was performed. Low sensitive radiographic film(X-omatV) was used for the penumbra measurement and separate experiments using radiographic film and thermoluminescent dosimeters were performed to verify the dose distribution, Measured films were analized with a photodensitometer of WP700i scanner. Results : For 6 & 10 MV x-ray energies, approximately $2.0\%$ of photons incident on the multileaf collimator were transmitted and an additional $0.5\%$ leakage occurs between the leaves. Localizing the physical end of the leaves showed less than 1mm deviation from the $50\%$ decrement line and this difference is attributed to the curved shaped end on the leaves One side of a sin히e leaf corresponded to the $50\%$ decrement line, but the opposite face was aligned with a lower value. This difference is due to the tongue and groove used to decrease between leaf leakage. Alignment of the leaves to form a straight edge resulted larger penumbra at far position from isocenter as compare with divergent alloy blocks. When the MLC edge is stepped by sloping field, the isodose lines follow the leaf pattern and Produce scalloping isodose curves in tissue. The effective penumbra by 45 degree stepped MLC is about 10mm at 10cm depth for 6MV x-ray. The difference of effective penumbra in deep tissue between MLC and divergent alloy blocks is small (5mm). Conclusion : Using the characteristic data of MLC, the MLC has the clinlical acceptability and suitability for 3-D conformal radiotherapy except small field size.

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Environmental Health Surveillance of Low Birth Weight in Seoul using Air Monitoring and Birth Data (2002년 서울시 대기오염과 출생 자료를 이용한 저체중아 환경보건감시체계 연구)

  • Seo, Ju-Hee;Kim, Ok-Jin;Kim, Byung-Mi;Park, Hye-Sook;Leem, Jong-Han;Hong, Yun-Chul;Kim, Young-Ju;Ha, Eun-Hee
    • Journal of Preventive Medicine and Public Health
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    • v.40 no.5
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    • pp.363-370
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    • 2007
  • Objectives: The principal objective of this study was to determine the relationship between maternal exposure to air pollution and low birth weight and to propose a possible environmental health surveillance system for low birth weight. Methods: We acquired air monitoring data for Seoul from the Ministry of Environment, the meteorological data from the Korean Meteorological Administration, the exposure assessments from the National Institute of Environmental Research, and the birth data from the Korean National Statistical Office between January 1, 2002 and December 31, 2003. The final birth data were limited to singletons within $37{\sim}44$ weeks of gestational age. We defined the Low Birth Weight (LBW) group as infants with birth weights of less than 2500g and calculated the annual LBW rate by district. The air monitoring data were measured for $CO,\;SO_2,\;NO_2,\;and\;PM_{10}$ concentrations at 27 monitoring stations in Seoul. We utilized two models to evaluate the effects of air pollution on low birth weight: the first was the relationship between the annual concentration of air pollution and low birth weight (LBW) by individual and district, and the second involved a GIS exposure model constructed by Arc View 3.1. Results: LBW risk (by Gu, or district) was significantly increased to $1.113(95%\;CI=1.111{\sim}1.116)\;for\;CO,\;1.004(95%\;CI=1.003{\sim}1.005)\;for\;NO_2,\;1.202(95%\;CI=1.199{\sim}1.206\;for\;SO_2,\;and\;1.077(95%\;CI=1.075{\sim}1.078)\;\;for\;PM_{10}$ with each interquartile range change. Personal LBW risk was significantly increased to $1.081(95%\;CI=1.002{\sim}1.166)\;for\;CO,\;1.145(95%\;CI=1.036{\sim}1.267)\;for\;SO_2,\;and\;1.053(95%\;CI=1.002{\sim}1.108)\;for\;PM_{10}$ with each interquartile range change. Personal LBW risk was increased to $1.003(95%\;CI=0.954{\sim}1.055)\;for\;NO_2$, but this was not statistically significant. The air pollution concentrations predicted by GIS positively correlated with the numbers of low birth weights, particularly in highly polluted regions. Conclusions: Environmental health surveillance is a systemic, ongoing collection effort including the analysis of data correlated with environmentally-associated diseases and exposures. In addition. environmental health surveillance allows for a timely dissemination of information to those who require that information in order to take effective action. GIS modeling is crucially important for this purpose, and thus we attempted to develop a GIS-based environmental surveillance system for low birth weight.

Methods for Genetic Parameter Estimations of Carcass Weight, Longissimus Muscle Area and Marbling Score in Korean Cattle (한우의 도체중, 배장근단면적 및 근내지방도의 유전모수 추정방법)

  • Lee, D.H.
    • Journal of Animal Science and Technology
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    • v.46 no.4
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    • pp.509-516
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    • 2004
  • This study is to investigate the amount of biased estimates for heritability and genetic correlation according to data structure on marbling scores in Korean cattle. Breeding population with 5 generations were simulated by way of selection for carcass weight, Longissimus muscle area and latent values of marbling scores and random mating. Latent variables of marbling scores were categorized into five by the thresholds of 0, I, 2, and 3 SD(DSI) or seven by the thresholds of -2, -1, 0,1I, 2, and 3 SD(DS2). Variance components and genetic pararneters(Heritabilities and Genetic correlations) were estimated by restricted maximum likelihood on multivariate linear mixed animal models and by Gibbs sampling algorithms on multivariate threshold mixed animal models in DS1 and DS2. Simulation was performed for 10 replicates and averages and empirical standard deviation were calculated. Using REML, heritabilitis of marbling score were under-estimated as 0.315 and 0.462 on DS1 and DS2, respectively, with comparison of the pararneter(0.500). Otherwise, using Gibbs sampling in the multivariate threshold animal models, these estimates did not significantly differ to the parameter. Residual correlations of marbling score to other traits were reduced with comparing the parameters when using REML algorithm with assuming linear and normal distribution. This would be due to loss of information and therefore, reduced variation on marbling score. As concluding, genetic variation of marbling would be well defined if liability concepts were adopted on marbling score and implemented threshold mixed model on genetic parameter estimation in Korean cattle.

Dynamic Traffic Assignment Using Genetic Algorithm (유전자 알고리즘을 이용한 동적통행배정에 관한 연구)

  • Park, Kyung-Chul;Park, Chang-Ho;Chon, Kyung-Soo;Rhee, Sung-Mo
    • Journal of Korean Society for Geospatial Information Science
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    • v.8 no.1 s.15
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    • pp.51-63
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    • 2000
  • Dynamic traffic assignment(DTA) has been a topic of substantial research during the past decade. While DTA is gradually maturing, many aspects of DTA still need improvement, especially regarding its formulation and solution algerian Recently, with its promise for In(Intelligent Transportation System) and GIS(Geographic Information System) applications, DTA have received increasing attention. This potential also implies higher requirement for DTA modeling, especially regarding its solution efficiency for real-time implementation. But DTA have many mathematical difficulties in searching process due to the complexity of spatial and temporal variables. Although many solution algorithms have been studied, conventional methods cannot iud the solution in case that objective function or constraints is not convex. In this paper, the genetic algorithm to find the solution of DTA is applied and the Merchant-Nemhauser model is used as DTA model because it has a nonconvex constraint set. To handle the nonconvex constraint set the GENOCOP III system which is a kind of the genetic algorithm is used in this study. Results for the sample network have been compared with the results of conventional method.

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Environmental Leachability of Electric Arc Furnace Dust for Applying as Hazardous Material Treatment (제강분진을 이용한 유해물질 처리기술 적용을 위한 안전성 평가)

  • Lee, Sang-Hoon;Kang, Sung-Ho;Kim, Jee-Hoon;Chang, Yoon-Seok
    • Journal of Korean Society of Environmental Engineers
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    • v.28 no.3
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    • pp.329-336
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    • 2006
  • Iron manufacturing process involves production of various by-product including slag, sludge, sintering and EAF(Electric Arc furnace dust). Some of the by-products such as EAF and sintering dust are disposed of as waste due to their high heavy metal contents. It has been notice for many years that the EAF dust also contain about 65% of Fe(0) and Fe(II) and then the possible utilization of the iron. One possibility is to apply the EAF as a lining material in conjunction with clay or HDPE liners, in waste landfill. The probable reaction between the leachate containing toxic elements such as TCE, PCE dioxine and $Cr^{6+}$ is reduction of the toxic materials in corresponding to the oxidation of the reduced iron and therefore diminishing the toxicity of the leachate. It is, however, prerequisite to evaluate the leaching characteristics of the EAF dust before application. Amelioration of the leachate would be archived only when the level of toxic elements in the treated leachate is less than that of in the untreated leachate. Several leaching techniques were selected to cover different conditions and variable environments including time, pH and contact method. The testing methods include availability test, pH-stat test and continuous column test. Cr and Zn are potentially leachable elements among the trace metals. The pH of the EAF dust is highly alkaline, recording around 12 and Zn is unlikely to be leached under the condition. On the contrary Cr is more leachable under alkaline environment. However, the released Cr should be reduced to $Cr^{3+}$ and then removed as $Cr(OH)_3$. Removal of the Cr is observed in the column test and further study on the specific reaction of Cr and EAF dust is underway.

The Effect of the Subjective Wellbeing on the Addiction and Usage Motivation of Social Networking Services: Moderating Effect of Social Tie (SNS 이용동기와 SNS 중독이 주관적 웰빙에 미치는 영향: 사회적 유대감의 조절효과)

  • Noh, Mi-Jin;Jang, Sung-Hee
    • Management & Information Systems Review
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    • v.35 no.4
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    • pp.99-122
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    • 2016
  • The social networking services (SNSs) have become popular among smartphone users, and one of the most popular services. In order to explain users' motivations toward SNS, this study considers uses and gratification theory which can explain individuals' motivations to select certain media channels. The purposes of this study is to investigate the relationships between motivations and addiction of SNS, and between addiction of SNS and decline in the subjective wellbeing. We examine moderating effects of social tie based on the social capital theory in the relationships between SNS addiction and decline in the subjective wellbeing. The motivations of SNS are subdivided into emotional motive (entertainment and fantasy) and cognitive motive (information share burden and challenge burden) based on the use and gratifications theory. The addiction of SNS is subdivided into time tolerance, withdrawal symptoms, interruption, and barrier of living. The data used in this study were collected from 286 SNS users through surveys. The data analysis in this study was performed using AMOS 17.0, and we used SEM(Structural Equation Modeling) methods in order to test the research model. The result shows that the emotional motive(entertainment and fantasy) and cognitive motive(information share burden and challenge burden) have an effect on the addiction of SNS. Especially emotional motive such as entertainment and users' fantasy toward SNS is an important factor that can cause SNS addiction. The addiction of SNS such as time tolerance, withdrawal symptoms, interruption, and barrier of living has an effect on the decline in the subjective wellbeing. Our result show that social tie partially moderates the relationship SNS addiction and decline in the subjective wellbeing. In addition, social tie between interruption of SNS and decline in the subjective wellbeing is an important moderating factor. The results focuses on the understanding toward relationship between SNS addiction based on the online and decline in the subjective wellbeing in the real world. The findings of this study also provides theoretical as well as practical implications which reflect the major features of SNS, and moderating effects of social tie based on the social capital.

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