• Title/Summary/Keyword: a modeling

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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.

A Study on the Fatigue Strength of the Welded Joints in Steel Structures(II) (강구조물(鋼構造物)의 용접연결부(鎔接連結部)의 피로강도(疲勞强度)에 관한 연구(研究)(II))

  • Park, Je Seon;Chung, Yeong Wha;Chang, Dong Il
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.6 no.1
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    • pp.1-11
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    • 1986
  • Welded connectors of the cover plates, the transverse stiffeners of the plate girders, and the gusset plates of the plates girders or box girders, were selected as studying objects. A simplified method of drawing the S-N curves in these welded joints by a computer program without the direct fatigue tests was established. The plots on the S-N curve using the values from the practical fatigue tests were compared with the results from the method of the computer programming. The results of these studies are as follows. It appeared that the fatigue life by calculation method was a little less than the practical fatigue life from the actual tests. The latter values included both life $N_c$ of occurrence of initial crack $a_i$ and the life $N_p$ of propagation of critical crack. On the other hand, the former values included only the life $N_p$. Therefore, these results should be considered as justifiable ones. Since the difference between the two results was not significant, the results by calculation method should be in the conservation side when the safety of the structures was considered. Consequently, the results by calculation method should be applicable to the fracture fatigue design of structure. For reference, the same fatigue tests were performed with the specimens of 3 pieces in each case made of the low-strength steel, SS 41. The results went unexpected showing that the fatigue strength was lower in the case of low-strength steel. That is, in the case of the cover plate, the fatigue strength became slowly higher than the case of high-strength steel, SWS 50. That was observed when the maximum testing stress was higher than $14kg/mm^2$. In addition, in the case of the transverse stiffener, the fatique strength became rapidly higher than the case of SWS 50. That was observed when the maximum testing stress was lower than $31kg/mm^2$. It was thought that more such fatigue tests should be performed for more reliable results.

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A Construction of the C_MDR(Component_MetaData Registry) for the Environment of Exchanging the Component (컴포넌트 유통환경을 위한 컴포넌트 메타데이타 레지스트리 구축 : C_MDR)

  • Song, Chee-Yang;Yim, Sung-Bin;Baik, Doo-Kwon;Kim, Chul-Hong
    • Journal of KIISE:Computing Practices and Letters
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    • v.7 no.6
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    • pp.614-629
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    • 2001
  • As the information-intensive society in 21c based on the environment of global internet is promoted, the software is getting more large and complex, and the demand for the software is increasing briskly. So, it becomes an important issue in academic and industrial field to activate reuse by developing and exchanging the standardized component. Currently, the information services as a product type of each company are provided in foreign market place for reusing a commercial component, but the components which are serviced in each market place are different, insufficient and unstandardized. That is, construction for Component Data Registry based on ISO 11179, is not accomplished. Hence, the national government has stepped up the plan for sending out public component at 2001. Therefore, the systems as a tool for sharing and exchange of data, have to support the meta-information of standardized component. In this paper, we will propose the C_MDR system: a tool to register and manage the standardized meta-information, based upon ISO 11179, for the commercialized common component. The purpose of this system is to systemically share and exchange the data in chain of acceleration of reusing the component. So, we will show the platform of specification for the component meta-information, then define the meta-information according to this platform, also represent the meta-information using XML for enhancing the interoperability of information with other system. Moreover, we will show that three-layered expression make modeling to be simple and understandable. The implementation of this system is to construct a prototype system of the component meta-information through the internet on www, this system uses ASP as a development language and RDBMS Oracle for PC. Thus, we may expect the standardization of the exchanged component metadata, and be able to apply to the exchanged reuse tool.

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Exploring Small Group Features of the Social-Construction Process of Scientific Model in a Combustion Class (연소 모델의 사회적 구성과정에서 나타나는 소집단 활동 특징 탐색)

  • Shim, Youngsook;Kim, Chan-Jong;Choe, Seung-Urn;Kim, Heui-Baik;Yoo, Junehee;Park, HyunJu;Kim, HyeYeong;Park, Kyung-Mee;Jang, Shinho
    • Journal of The Korean Association For Science Education
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    • v.35 no.2
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    • pp.217-229
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    • 2015
  • In this study, we explored the development of scientific model through the social-construction process on "combustion." Students were 8th graders from one middle school class. Each student engaged in small group discussions three times and made a group model on combustion. Discourses between peers and teacher were videotaped, audiotaped, and transcribed. The results show that the small groups constructed an initial concept: 'Conditions of combustion', which they then evaluated and revised the initial concept through combustion experiment. Following the discussions, some small groups evaluated their model and made a revised model. Then, the small groups compared various models and constructed a scientific model through consensus within the small group and as a whole class. Finally, students kept revising their model to 'Burning needs oxygen.' This tells us that the social construction process of scientific model made a meaningful role to build scientific model through diverse discussion between the students and their teacher, although they have had some difficult process to reach the final consensus. The data also showed some group features: the members were open to other's ideas. They analyzed the differences between their own ideas from others and revised their model after the whole class discussion. Lastly, they showed the tendency to make a good use of teacher's guidance. This study implies the importance of having social interaction process for students to understand the scientific model and learn the nature of scientific inquiry in class.

Experimental Analysis of Nodal Head-outflow Relationship Using a Model Water Supply Network for Pressure Driven Analysis of Water Distribution System (상수관망 압력기반 수리해석을 위한 모의 실험시설 기반 절점의 압력-유량 관계 분석)

  • Chang, Dongeil;Kang, Kihoon
    • Journal of Korean Society of Environmental Engineers
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    • v.36 no.6
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    • pp.421-428
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    • 2014
  • For the analysis of water supply network, demand-driven and pressure-driven analysis methods have been proposed. Of the two methods, demand-driven analysis (DDA) can only be used in a normal operation condition to evaluate hydraulic status of a pipe network. Under abnormal conditions, i.e., unexpected pipe destruction, or abnormal low pressure conditions, pressure-driven analysis (PDA) method should be used to estimate the suppliable flowrate at each node in a network. In order to carry out the pressure-driven analysis, head-outflow relationship (HOR), which estimates flowrate at a certain pressure at each node, should be first determined. Most previous studies empirically suggested that each node possesses its own characteristic head-outflow relationship, which, therefore, requires verification by using actual field data for proper application in PDA modeling. In this study, a model pipe network was constructed, and various operation scenarios of normal and abnormal conditions, which cannot be realized in real pipe networks, were established. Using the model network, data on pressure and flowrate at each node were obtained at each operation condition. Using the data obtained, previously proposed HOR equations were evaluated. In addition, head-outflow relationship at each node was analyzed especially under multiple pipe destruction events. By analyzing the experimental data obtained from the model network, it was found that flowrate reduction corresponding to a certain pressure drop (by pipe destruction at one or multiple points on the network) followed intrinsic head-outflow relationship of each node. By comparing the experimentally obtained head-outflow relationship with various HOR equations proposed by previous studies, the one proposed by Wagner et al. showed the best agreement with the exponential parameter, m of 3.0.

A Meta Analysis of Using Structural Equation Model on the Korean MIS Research (국내 MIS 연구에서 구조방정식모형 활용에 관한 메타분석)

  • Kim, Jong-Ki;Jeon, Jin-Hwan
    • Asia pacific journal of information systems
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    • v.19 no.4
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    • pp.47-75
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    • 2009
  • Recently, researches on Management Information Systems (MIS) have laid out theoretical foundation and academic paradigms by introducing diverse theories, themes, and methodologies. Especially, academic paradigms of MIS encourage a user-friendly approach by developing the technologies from the users' perspectives, which reflects the existence of strong causal relationships between information systems and user's behavior. As in other areas in social science the use of structural equation modeling (SEM) has rapidly increased in recent years especially in the MIS area. The SEM technique is important because it provides powerful ways to address key IS research problems. It also has a unique ability to simultaneously examine a series of casual relationships while analyzing multiple independent and dependent variables all at the same time. In spite of providing many benefits to the MIS researchers, there are some potential pitfalls with the analytical technique. The research objective of this study is to provide some guidelines for an appropriate use of SEM based on the assessment of current practice of using SEM in the MIS research. This study focuses on several statistical issues related to the use of SEM in the MIS research. Selected articles are assessed in three parts through the meta analysis. The first part is related to the initial specification of theoretical model of interest. The second is about data screening prior to model estimation and testing. And the last part concerns estimation and testing of theoretical models based on empirical data. This study reviewed the use of SEM in 164 empirical research articles published in four major MIS journals in Korea (APJIS, ISR, JIS and JITAM) from 1991 to 2007. APJIS, ISR, JIS and JITAM accounted for 73, 17, 58, and 16 of the total number of applications, respectively. The number of published applications has been increased over time. LISREL was the most frequently used SEM software among MIS researchers (97 studies (59.15%)), followed by AMOS (45 studies (27.44%)). In the first part, regarding issues related to the initial specification of theoretical model of interest, all of the studies have used cross-sectional data. The studies that use cross-sectional data may be able to better explain their structural model as a set of relationships. Most of SEM studies, meanwhile, have employed. confirmatory-type analysis (146 articles (89%)). For the model specification issue about model formulation, 159 (96.9%) of the studies were the full structural equation model. For only 5 researches, SEM was used for the measurement model with a set of observed variables. The average sample size for all models was 365.41, with some models retaining a sample as small as 50 and as large as 500. The second part of the issue is related to data screening prior to model estimation and testing. Data screening is important for researchers particularly in defining how they deal with missing values. Overall, discussion of data screening was reported in 118 (71.95%) of the studies while there was no study discussing evidence of multivariate normality for the models. On the third part, issues related to the estimation and testing of theoretical models on empirical data, assessing model fit is one of most important issues because it provides adequate statistical power for research models. There were multiple fit indices used in the SEM applications. The test was reported in the most of studies (146 (89%)), whereas normed-test was reported less frequently (65 studies (39.64%)). It is important that normed- of 3 or lower is required for adequate model fit. The most popular model fit indices were GFI (109 (66.46%)), AGFI (84 (51.22%)), NFI (44 (47.56%)), RMR (42 (25.61%)), CFI (59 (35.98%)), RMSEA (62 (37.80)), and NNFI (48 (29.27%)). Regarding the test of construct validity, convergent validity has been examined in 109 studies (66.46%) and discriminant validity in 98 (59.76%). 81 studies (49.39%) have reported the average variance extracted (AVE). However, there was little discussion of direct (47 (28.66%)), indirect, and total effect in the SEM models. Based on these findings, we suggest general guidelines for the use of SEM and propose some recommendations on concerning issues of latent variables models, raw data, sample size, data screening, reporting parameter estimated, model fit statistics, multivariate normality, confirmatory factor analysis, reliabilities and the decomposition of effects.

Comparison of Measured and Calculated Carboxylation Rate, Electron Transfer Rate and Photosynthesis Rate Response to Different Light Intensity and Leaf Temperature in Semi-closed Greenhouse with Carbon Dioxide Fertilization for Tomato Cultivation (반밀폐형 온실 내에서 탄산가스 시비에 따른 광강도와 엽온에 반응한 토마토 잎의 최대 카복실화율, 전자전달율 및 광합성율 실측값과 모델링 방정식에 의한 예측값의 비교)

  • Choi, Eun-Young;Jeong, Young-Ae;An, Seung-Hyun;Jang, Dong-Cheol;Kim, Dae-Hyun;Lee, Dong-Soo;Kwon, Jin-Kyung;Woo, Young-Hoe
    • Journal of Bio-Environment Control
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    • v.30 no.4
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    • pp.401-409
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    • 2021
  • This study aimed to estimate the photosynthetic capacity of tomato plants grown in a semi-closed greenhouse using temperature response models of plant photosynthesis by calculating the ribulose 1,5-bisphosphate carboxylase/oxygenase maximum carboxylation rate (Vcmax), maximum electron transport rate (Jmax), thermal breakdown (high-temperature inhibition), and leaf respiration to predict the optimal conditions of the CO2-controlled greenhouse, for maximizing the photosynthetic rate. Gas exchange measurements for the A-Ci curve response to CO2 level with different light intensities {PAR (Photosynthetically Active Radiation) 200µmol·m-2·s-1 to 1500µmol·m-2·s-1} and leaf temperatures (20℃ to 35℃) were conducted with a portable infrared gas analyzer system. Arrhenius function, net CO2 assimilation (An), thermal breakdown, and daylight leaf respiration (Rd) were also calculated using the modeling equation. Estimated Jmax, An, Arrhenius function value, and thermal breakdown decreased in response to increased leaf temperature (> 30℃), and the optimum leaf temperature for the estimated Jmax was 30℃. The CO2 saturation point of the fifth leaf from the apical region was reached at 600ppm for 200 and 400µmol·m-2·s-1 of PAR, at 800ppm for 600 and 800µmol·m-2·s-1 of PAR, at 1000ppm for 1000µmol of PAR, and at 1500ppm for 1200 and 1500µmol·m-2·s-1 of PAR levels. The results suggest that the optimal conditions of CO2 concentration can be determined, using the photosynthetic model equation, to improve the photosynthetic rates of fruit vegetables grown in greenhouses.

Future hydrological changes in Jeju Island based on CMIP6 climate change scenarios (CMIP6 기후변화 시나리오에 따른 제주도 지역의 미래 수문변화 전망)

  • Kim, Chul-Gyum;Cho, Jaepil;Lee, Jeong Eun;Chang, Sunwoo
    • Journal of Korea Water Resources Association
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    • v.56 no.11
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    • pp.737-749
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    • 2023
  • In this study, we analyzed the hydrological impacts of future climate change on Jeju Island using SSP-based climate change scenarios from 18 climate models and watershed modeling (SWAT-K). Despite discrepancies among climate models, we generally observed an increase in evapotranspiration due to rising future temperatures. Furthermore, a significant increase in runoff and recharge was noted due to increased precipitation. These increasing trends were particularly pronounced in the SSP5-8.5 scenario, and differences among GCM models became more significant in the late 21 century. When compared to the historical period (1981-2010), the projected changes for the far-future period (2071-2100) in the SSP5-8.5 scenario showed a 21.4% increase in precipitation, a 19.2% increase in evapotranspiration, a 40.9% increase in runoff, and a 16.6% increase in recharge on an annual average basis. On a monthly basis in the SSP5-8.5 scenario, precipitation was expected to increase by 24.5% in September, evapotranspiration by 34.1% in April, runoff by 58.1% in October, and recharge by 33.8% in September. To further assess projections based on extreme climate scenarios, we selected two models, CanESM5 and ACCESS-ESM1-5, which represented the maximum and minimum future precipitation forecasts, and compared the hydrological changes in the future scenarios. The results indicated that runoff and recharge rates were relatively higher in the CanESM5 model with the highest precipitation forecast, while evapotranspiration rates were higher in the ACCESS-ESM1-5 model with the lowest precipitation forecast. Based on the climate change scenarios used in this study, the overall available water resources on Jeju Island are more likely to increase. However, since results vary by season and region depending on the climate model and scenario, it is considered necessary to conduct a comprehensive analysis and develop response measures using various scenarios.

Implementation Strategy of Global Framework for Climate Service through Global Initiatives in AgroMeteorology for Agriculture and Food Security Sector (선도적 농림기상 국제협력을 통한 농업과 식량안보분야 전지구기후 서비스체계 구축 전략)

  • Lee, Byong-Lyol;Rossi, Federica;Motha, Raymond;Stefanski, Robert
    • Korean Journal of Agricultural and Forest Meteorology
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    • v.15 no.2
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    • pp.109-117
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    • 2013
  • The Global Framework on Climate Services (GFCS) will guide the development of climate services that link science-based climate information and predictions with climate-risk management and adaptation to climate change. GFCS structure is made up of 5 pillars; Observations/Monitoring (OBS), Research/ Modeling/ Prediction (RES), Climate Services Information System (CSIS) and User Interface Platform (UIP) which are all supplemented with Capacity Development (CD). Corresponding to each GFCS pillar, the Commission for Agricultural Meteorology (CAgM) has been proposing "Global Initiatives in AgroMeteorology" (GIAM) in order to facilitate GFCS implementation scheme from the perspective of AgroMeteorology - Global AgroMeteorological Outlook System (GAMOS) for OBS, Global AgroMeteorological Pilot Projects (GAMPP) for RES, Global Federation of AgroMeteorological Society (GFAMS) for UIP/RES, WAMIS next phase for CSIS/UIP, and Global Centers of Research and Excellence in AgroMeteorology (GCREAM) for CD, through which next generation experts will be brought up as virtuous cycle for human resource procurements. The World AgroMeteorological Information Service (WAMIS) is a dedicated web server in which agrometeorological bulletins and advisories from members are placed. CAgM is about to extend its service into a Grid portal to share computer resources, information and human resources with user communities as a part of GFCS. To facilitate ICT resources sharing, a specialized or dedicated Data Center or Production Center (DCPC) of WMO Information System for WAMIS is under implementation by Korea Meteorological Administration. CAgM will provide land surface information to support LDAS (Land Data Assimilation System) of next generation Earth System as an information provider. The International Society for Agricultural Meteorology (INSAM) is an Internet market place for agrometeorologists. In an effort to strengthen INSAM as UIP for research community in AgroMeteorology, it was proposed by CAgM to establish Global Federation of AgroMeteorological Society (GFAMS). CAgM will try to encourage the next generation agrometeorological experts through Global Center of Excellence in Research and Education in AgroMeteorology (GCREAM) including graduate programmes under the framework of GENRI as a governing hub of Global Initiatives in AgroMeteorology (GIAM of CAgM). It would be coordinated under the framework of GENRI as a governing hub for all global initiatives such as GFAMS, GAMPP, GAPON including WAMIS II, primarily targeting on GFCS implementations.

Comparison of Seawater Exchange Rate of Small Scale Inner Bays within Jinhae Bay (수치모델을 이용한 진해만 내 소규모 내만의 해수교환율 비교)

  • Kim, Nam Su;Kang, Hoon;Kwon, Min-Sun;Jang, Hyo-Sang;Kim, Jong Gu
    • Journal of the Korean Society for Marine Environment & Energy
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    • v.19 no.1
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    • pp.74-85
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    • 2016
  • For the assessment of seawater exchange rates in Danghangpo bay, Dangdong bay, Wonmun bay, Gohyunsung bay, and Masan bay, which are small-scale inner bays of Jinhae bay, an EFDC model was used to reproduce the seawater flow of the entire Jinhae bay, and Lagrange (particle tracking) and Euler (dye diffusion) model techniques were used to calculate the seawater exchange rates for each of the bays. The seawater exchange rate obtained using the particle tracking method was the highest, at 60.84%, in Danghangpo bay, and the lowest, at 30.50%, in Masan bay. The seawater exchange rate calculated based on the dye diffusion method was the highest, at 45.40%, in Danghangpo bay, and the lowest, at 34.65%, in Masan bay. The sweater exchange rate was found to be the highest in Danghangpo bay likely because of a high flow velocity owing to the narrow entrance of the bay; and in the case of particle tracking method, the morphological characteristics of the particles affected the results, since once the particles get out, it is difficult for them to get back in. Meanwhile, in the case of the Lagrange method, when the particles flow back in by the flood current after escaping the ebb current, they flow back in intact. However, when a dye flows back in after escaping the bay, it becomes diluted by the open sea water. Thus, the seawater exchange rate calculated based on the dye diffusion method turned out to be higher in general, and even if a comparison of the sweater exchange rates calculated through two methods was conducted under the same condition, the results were completely different. Thus, when assessing the seawater exchange rate, more reasonable results could be obtained by either combining the two methods or selecting a modeling technique after giving sufficiently consideration to the purpose of the study and the characteristics of the coastal area. Meanwhile, through a comparison of the degree of closure and seawater exchange rates calculated through Lagrange and Euler methods, it was found that the seawater exchange rate was higher for a higher degree of closure, regardless of the numerical model technique. Thus, it was deemed that the degree of closure would be inappropriate to be used as an index for the closeness of the bay, and some modifications as well as supplementary information would be necessary in this regard.