• Journal of Applied Biological Chemistry
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• v.53 no.4
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• pp.225-231
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• 2010

To understand the inhibitory activity with changing hydroxyl substituents ($R_l-R_9$) of polyhydroxy substituted 2-phenyl-l,4-benzopyrone analogues (1-25) against tyrosinase (PDB ID: oxy-form; 1WX2), molecular docking and the three dimensional quantitative structure-activity relationships (3D-QSARs: Comparative molecular field analysis (CoMFA) & Comparative molecular similarity indices analysis (CoMSIA)) were studied quantitatively. The statistically best models were CoMFA 1 and CoMSIA 1 model from the results. The optimized CoMSIA 1 model with the sensitivity of the perturbation and the prediction produced ($dq^2'/dr_{yy'}^2$=1.009 & $q^2$=0.51l) by a progressive scrambling analysis were not dependent on chance correlation. The inhibitory activities with optimized CoMSIA 1 model were dependent upon electrostatic factor (51.4%) of substrate molecules. Contour mapping the 3D-QSAR models to the active site of tyrosinase provides new insight into the interaction between tyrosinase as receptor and 2-phenyl-l,4-benzopyrone analogues as inhibitor. Therefore, the results will he able to apply to the optimization of a new potent tyrosinase inhibitors.

• Applied Biological Chemistry
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• v.51 no.3
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• pp.171-176
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• 2008

The comparative molecular similarity indices analysis (CoMSIA) models between 3${\beta}$-Hydroxy-12-oleanen-28-oic acid (1-30) analogues as substrate molecule and their inhibitory activities ($pI_{50}$) against protein tyrosine phosphatase (PTP)-1B were derived and discussed quantitatively. Listing in order, the CoMFA>CoMSIA${\geq}$HQSAR>2D-QSAR model, these QSAR models had the better statistical values. The optimized CoMSIA F1 model at grid 3.0${\AA}$ had the best predictability and fitness ($q^2$=0.754 and $r^2$=0.976) by field fit alignment. The order of contribution ratio (%) of CoMSIA fields concerning the inhibitory activities was a H-bond acceptor (48.9%), steric field (25.8%) and hydrophobic field (25.4%), respectively. Therefore, the inhibitory activities of substrate molecules against PTP-1B were dependent upon H-bond acceptor field (A) of $R_4$-group. From the analytical results of CoMSIA contour maps, oleanolic acid derivatives will have better inhibition activities if $R_1$ group has H-bond acceptor disfavor, $R_3$group has steric disfavor and $R_4$ group has steric, hydrophobic, H-bond favor.

• The Journal of Engineering Geology
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• v.27 no.4
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• pp.367-376
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• 2017

Recently, tunneling under the seabed is becoming increasingly common in many countries. In Korea, there are proposals to tunnel from the mainland to Jeju Island. Safe construction requires geologic structures such as faults to be characterized during the design and construction phase; however, unlike on land, such structures are difficult to survey seabed. This study aims to develop an algorithm that uses geostatistics to automatically derive large-scale geological structures on the seabed. The most important considerations in this method are the optimal size of the moving window, the optimal type of spatial statistics, and determination of the optimal percentile standard. Finally, the optimal analysis algorithm was developed using the R program, which comprehensibly presents variations in spatial statistics. The program allows the type and percentile standard of spatial statistics to be specified by the user, thus enabling an analysis of the geological structure according to variations in spatial statistics. The geotechnical defense-training algorithm shows that a large, linear geological lineament is best visualized using a $3{\times}3$ moving window and a 10% upper standard based on the moving variance value and fractile. In particular, setting the fractile criterion to the upper 0.5% almost entirely eliminates the error values from the contour image.

• Journal of Korean Society of Environmental Engineers
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• v.36 no.9
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• pp.648-658
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• 2014

We examined the effects of pollutants into sub-basin on the water quality and loading based on data surveyed during January-December 2013 from 13 sites of 5 streams in the Jinwi watershed. We used the contour plot and Kruskal-Wallis rank sum test to analyze seasonal variation of water quality and loading and Pearson correlation analysis to assess the relationships between pollutants and loadings. The significantly higher seasonal variation were SS, TN and TOC as compared to other water quality constituents (P < 0.001). A significant interaction existed between the effects of human population and the effects of discharge of Sewage Treatment Plant (STP) on water quality and loading, especially for the spring and winter seasons. It is necessary to control discharge water of sewage and wastewater from industrial facilities and to make full use of the watershed management system such as TMDLs in operation since 2012 for improvement in stream water quality.

• Journal of the Korean Geotechnical Society
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• v.30 no.6
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• pp.51-59
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• 2014

Shallow landslides and debris flows are a common form of soil slope instability in South Korea. These events may be generally initiated as a result of intense rainfall or lengthening rainfall duration because of the effects of climate change. This paper presents the evaluation of rainfall-induced natural soil slope stability and reinforced soil slope instability under vertical load (railway or highway load) throughout South Korea based on quantitative analysis obtained from 58 sites rainfall observatories for 38 years. The slope stability was performed for infinite and geogrid-reinforced soil slopes by taking an average of maximum rainfall every ten years from 1973 to 2010. Seepage analysis is carried out on unsaturated soil slope using the maximum rainfall at each site, and then the factor of safety was calculated by coupled analysis using saturated and unsaturated strength parameters. The contour map of South Korea shows four stages in 10-year-time for the degree of landslide hazard. The safety factor map based on long term observational data will help prevent rainfall-induced soil slope instability for appropriate design of geotechnical structures regarding disaster protection.

• The Journal of Korean Academy of Prosthodontics
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• v.36 no.6
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• pp.900-913
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• 1998

Despite of technical difficulties, the combination of occlusal projection and densitometric digital analysis may ultimately provide a means of detection of subtle bone loss at the facial and lingual side of dental implant (Oblique occlusal view is more useful for $ITI^{(R)}$ dental implant due to its contour of shoulder as like tulip flower). In this study, conventional periapical projections of x-ray beam had shown more high sensitivity to detect the bony defects than oblique occlusal projections in alveolar crest obscured by dental implants or not, even if the difference was not statistically significant. Unlike conventional periapical projections. occusal projections combined with densitometric digital analysis technique may provide a means for detection of subtle bone change at the all around of implants without obscuring effect by implant itself. Although the results from this in vitro study were performed under limited circumstances, these results might afford more possibility and versatile modality of diagnosis options to clinician in the implant practice.

• Fire Science and Engineering
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• v.15 no.1
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• pp.84-92
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• 2001

In today's world, rise in the establishment of social infrastructure resulting from population saturation in large cities has led to more extensive and frequent use of chemical materials on facilities. A result, unexpected and serious accidents, hazards, contingencies and disasters are more prevalent than ever. Such phenomenon calls for more devoted and concerted efforts towards finding ways to reduce the safety hazards that are seen to take place more often than before with the increase in the number of facilities that are prone to bring disaster and hazard coupled with the conventional safety problems that continue to exist even today. In developed countries, such challenge is addressed by various appropriate countermeasures drawn up by local professional committees on industrial facilities, whose members conduct offsite and onsite evaluation un the potential industrial disasters and its seriousness and provide their advice thereof. Against this backdrop, this study aims at identifying a comprehensive safety allowance level (safety acceptable level) when imposing limitation on the development of conventional or new facilities, for the fur pose of establishing a safety allowance level of disastrous and dangerous facilities in Korea. This is done by assessing and applying the level of danger each individual is exposed to in a randomly selected region (disastrous and dangerous areas in Seoul) based on probability of quantitative hazards, as well as simulation and calculation methods which include: i) social disaster evaluation method applying Quantified Risk Assessment of Health & Safety Executive of UK and Matrix of Risk of Evaluated Sources of Hazard; ii) Fault Tree or Event Tree Analysis and etc.

• The Korean Journal of Pesticide Science
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• v.11 no.1
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• pp.8-17
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• 2007

Three-dimensional quantitative structure-activity relationships (3D-QSARs) on the fungicidal activity against damping-off (Pythium ultimum) with N-phenylbenzenesulfonamide and N-phenyl-2-thienylsulfonamide analogues (1-34) were studied quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indeces analysis) methodologies. On the whole, the statistical qualities of CoMSIA models with field fit alignment (FF1-FF5) were slightly higher than that of atom based fit alignment (AF1-AF5) but, the deviations of statistical quality between two alignments in case of CoMFA models were slightly lower. The statistical results of CoMFA and CoMSIA model showed that the optimized CoMSIA model (FF1: $r_{cv.}^2\;(q^2)=0.674$ & $r_{ncv.}^2=0.964$) for damping-off is better predictability and fitness for fungicidal activities than CoMFA model (AF5: $r_{cv.}^2\;(q^2)=0.616$ & $r_{ncv.}^2=0.930$). The fungicidal activities according to the information of the CoMSIA (FF1) model were dependence upon the electrostatic and hydrophobic field of the N-phenylbenzene sulfonamide analogues. Therefore, from the results of graphical analyses on the contour maps with CoMSIA (FF3) model, it is expected that the characters of R4-substituent on the N-phenyl ring as hydrophobic and hydrogen bond acceptor will be contributed to the fungicidal activity against damping-off.

• The Korean Journal of Pesticide Science
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• v.12 no.2
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• pp.111-117
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• 2008

The comparative molecular field analysis (CoMFA) for the fungicidal activity with N-phenylbenzenesulfonamide analogues (1-45) against gray mold (Botriyts cinerea) were studied quantitatively. The statistical values of CoMFA models had much better predictability and fitness than those of comparative molecular similarity indices analysis (CoMSIA) models. The statistical values of the optimized CoMFA I model were predictablity, $r^2_{cv.}(or\;q^2)=0.457$ and correlation coefficient, $r^2_{ncv.}=0.959$, and their fungicidal activity was dependent on the steric field (52%) and electrostatic field (35.6%) of the substrate molecules. And also, it was found that the optimized CoMFA I model with the sensitivity to perturbation ($d_q^{2'}/dr^2_{yy'}=0.898$) and prediction ($q^2=0.346$ & SDEP=0.614) produced by a progressive scrambling analysis was not dependent on chance correlation. From the results of graphical analyses on the contour maps with the optimized CoMFA I model, it is expected that the $R_3$ and $R_4$-substituents on the N-phenyl ring as steric favor group and para-substituents ($R_1$) on the S-phenyl ring as steric disfavor group will contribute to the fungicidal activity. Therefore, the optimized CoMFA I model should be applicable to the prediction of the fungicidal activities against gray mold.

• Applied Biological Chemistry
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• v.51 no.1
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• pp.38-43
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• 2008

3D-QSARs on the fungicidal activity with N-phenylbenzenesulfonamide and N-phenyl-2-thienylsul-fonamide analogues (1-34) against Fusarium wilt (Fusarium oxysporum) were discussed quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices analysis) methods, respectively. Generally, the CoMFA models have better predictability and fitness than the CoMSIA models. The fungicidal activities, according to the information of the optimized CoMF A 2 model $(r^2\;_{cv.}=0.523\;&\;r^2\;_{ncv.}=0.956)$, were dependent on the electrostatic field of the N-phenylbenzenesulfonamide analogues. Therefore, from the results of graphical analyses on the contour maps with the optimized CoMFA 2 model, it is expected that the characters of $R_4-substituents$ on the N-phenyl ring as steric and positive charge favor will contribute to the fungicidal activity against Fusarium wilt.