• Bulletin of the Korean Chemical Society
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• v.14 no.2
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• pp.255-258
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• 1993

Molecular dynamics (MD) calculations were carried out in order to investigate the effect of MD cell size to predict the melting phenomena of A-type zeolite. We studied two model systems: a pseudocell of $(T_2O_4Na)_n$, (L= 12.264 $^{\AA}$, N= 84) and a true-cell of (SiAlO$_4Na)_n$. (L= 24.528 $^{\AA}$, N= 672), where T is Si or Al. The radial and bond angle distribution functions of T(Si, Al)-O-T(Si, Al) and diffusion coefficients of T and O were reported at various temperatures. For the true-cell model, the melting temperature is below 1500 K and probably around 1000 K, which is about 600-700 K lower than the pseudocell model. Although it took more time (about 30 times longer) to obtain the molecular trajectories of the true-cell model than those of the pseudocell model, the true-cell model gave more realistic structural transition for the A-type zeolite, which agrees with experiment.

• The korean journal of orthodontics
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• v.52 no.4
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• pp.287-297
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• 2022

Objective: To investigate the pattern of accuracy change in artificial intelligence-assisted landmark identification (LI) using a convolutional neural network (CNN) algorithm in serial lateral cephalograms (Lat-cephs) of Class III (C-III) patients who underwent two-jaw orthognathic surgery. Methods: A total of 3,188 Lat-cephs of C-III patients were allocated into the training and validation sets (3,004 Lat-cephs of 751 patients) and test set (184 Lat-cephs of 46 patients; subdivided into the genioplasty and non-genioplasty groups, n = 23 per group) for LI. Each C-III patient in the test set had four Lat-cephs: initial (T0), pre-surgery (T1, presence of orthodontic brackets [OBs]), post-surgery (T2, presence of OBs and surgical plates and screws [S-PS]), and debonding (T3, presence of S-PS and fixed retainers [FR]). After mean errors of 20 landmarks between human gold standard and the CNN model were calculated, statistical analysis was performed. Results: The total mean error was 1.17 mm without significant difference among the four time-points (T0, 1.20 mm; T1, 1.14 mm; T2, 1.18 mm; T3, 1.15 mm). In comparison of two time-points ([T0, T1] vs. [T2, T3]), ANS, A point, and B point showed an increase in error (p < 0.01, 0.05, 0.01, respectively), while Mx6D and Md6D showeda decrease in error (all p < 0.01). No difference in errors existed at B point, Pogonion, Menton, Md1C, and Md1R between the genioplasty and non-genioplasty groups. Conclusions: The CNN model can be used for LI in serial Lat-cephs despite the presence of OB, S-PS, FR, genioplasty, and bone remodeling.

• Genomics & Informatics
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• v.21 no.3
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• pp.33.1-33.11
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• 2023

Type 2 diabetes mellitus (T2DM) is a multifactorial, polygenic, and metabolically complicated disease. A large number of genes are responsible for the biogenesis of T2DM and calpain10 (CAPN10) is one of them. The association of numerous CAPN10 genetic polymorphisms in the development of T2DM has been widely studied in different populations and noticed inconclusive results. The present study is an attempt to evaluate the plausible association of CAPN10 polymorphism SNP-19 (rs3842570) with T2DM and T2DM-related anthropometric and metabolic traits in the Noakhali region of Bangladesh. This case-control study included 202 T2DM patients and 75 healthy individuals from different places in Noakhali. A significant association (p < 0.05) of SNP-19 with T2DM in co-dominant 2R/3R vs. 3R/3R (odds ratio [OR], 2.7; p=0.0014) and dominant (2R/3R) + (2R/2R) vs. 3R/3R (OR, 2.47; p=0.0011) genetic models was observed. High-risk allele 2R also showed a significant association with T2DM in the allelic model (OR, 1.67; p=0.0109). The genotypic frequency of SNP-19 variants showed consistency with Hardy-Weinberg equilibrium (p > 0.05). Additionally, SNP-19 genetic variants showed potential associations with the anthropometric and metabolic traits of T2DM patients in terms of body mass index, systolic blood pressure, diastolic blood pressure, total cholesterol, and triglycerides. Our approach identifies the 2R/3R genotype of SNP-19 as a significant risk factor for biogenesis of T2DM in the Noakhali population. Furthermore, a large-scale study could be instrumental to correlate this finding in overall Bangladeshi population.

• Nuclear Engineering and Technology
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• v.53 no.7
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• pp.2357-2363
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• 2021

Silicon carbide is widely used in radiation environments due to its excellent properties. However, when exposed to the strong radiation environment constantly, plenty of defects are generated, thus causing the material performance downgrades or failures. In this paper, the two-temperature model (2T-MD) is used to explore the defect recovery process by applying the electronic energy loss (Se) on the pre-damaged system. The effects of defect concentration and the applied electronic energy loss on the defect recovery process are investigated, respectively. The results demonstrate that almost no defect recovery takes place until the defect density in the damage region or the local defect density is large enough, and the probability of defect recovery increases with the defect concentration. Additionally, the results indicate that the defect recovery induced by swift heavy ions is mainly connected with the homogeneous recombination of the carbon defects, while the probability of heterogeneous recombination is mainly dependent on the silicon defects.

• Korean Journal of Fisheries and Aquatic Sciences
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• v.37 no.1
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• pp.24-32
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• 2004

A mathematical model is used to investigate nitrogen dynamics in the intensive aquaculture ponds in the western coast of Korea. Parameters associated with water quality, sediments and growing of shrimp (Fenneropenaeus chinensis) are measured to calibrate the model for feeding ponds A and B and storage ponds. The model describes the fate of nitrogen including loadings of ammonia from feeds, phytoplankton assimilation, nitrification, sedimentation, volatilization and discharge. The model obtains good agreements with the measured values of TAN $(NH_4,\;NH_3),\;NO(NO_2,\;NO_3)$ and Chl (chlorophyll a). Impacts of water exchange on TAN and Chl are investigated, showing that the range of 0.01-0.2 (/day) cannot effectively reduce TAN but reduces Chl. Nitrogen in the ponds A is removed by sedimentation $66\%,$ volatilization $8\%,$ discharge of particulate and dissolved $8\%.$ The pond B shows $56\%\;and\;26\%$ of sedimentation and volatilization, respectively, to yield $10\%.$ decrease and 8c/o increase compared to those in the pond A. While the pond A has larger area (1.02:0.66 ha) and same stocking density (0.025 md./L) at the beginning of culture, the pond B obtains higher stocking density (0.0065:0.0091 md./L), longer feeding period (103:121 day) and resultant higher shrimp production (1.15:2.13 t/ha/cycle) at harvest. This is possibly due to the hydraulic characteristics driven by paddlewheels. At low ratio of the low speed area and the pond area, the rate of sedimentation is high, while the rate of gas exchange is low. Thus, the measurement and model analysis suggest that water quality and shrimp production are positively correlated with the hydraulic characteristics in the shrimp ponds.

• Bulletin of the Korean Chemical Society
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• v.7 no.5
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• pp.367-371
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• 1986

Dynamic and equilibrium properties of n-alkane chains immersed in solvent molecules have been investigated by a molecular dynamics method. The n-alkane chain is assumed to be a chain of elements (CH$_2$) interconnected by bonds having a fixed bond length and bond angle, but each bond of the chain is allowed to execute hindered internal rotation. We studied the effect of the number of the chain elements (N$_c$ = 10, 15 and 20) on the equilibrium properties of the system, e.g., the pair correlation functions between a chain element and solvent molecules, g$_{cs}$(r), and between the chain elements, g$_{cc}$(r), and the configurational properties such as the mean-square end-to-end distance < R$^2$ >, the mean-square radius of gyration < S$^2$ >, and the eigenvalues of the moment-of-inertia tensor < S$_i^2$ > / < S$^2$ > (i = 1, 2 and 3). We also studied the dynamic properties of the system, e.g., the autocorrelation function C(A;t) where A = R$^2$(t), = S$^2$(t), or = ${\vec{V}}(t)({\vec{V}}$ = velocity of the center of mass), and the diffusion coefficient D. The g$_{cs}$(r)'s are almost equal irrespective of the change of Nc while g$_{cc}$(r) becomes larger as N$_c$ increases; The MD computed configurational properties < R$^2$2 > and < S$^2$ > were found to be a little different from the values calculated from the statistical equations of < R$^2$ > and < S$^2$ >, it may be due to the fact that our model for the MD simulations includes a long-range volume effect. From the < S$_i^2$ > / < S$^2$ >, it is found that the chain molecule has a nearly spherical shape irrespective of the variation of N$_c$. For the dynamic properties we found that the C(R$^2$;t) and C(S$^2$;t) of lower N$_c$ decay faster than those of higher N$_c$, while the C($\vec V$;t) of the center of mass in the chain is weakly dependent on the N$_c$. The center of mass diffusion coefficient D$_c$ decreases as N$_c$ increases while the end point diffusion coefficient D$_e$ is nearly equal irrespective of the change of N$_c$.

• Journal of the Korean Institute of Intelligent Systems
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• v.9 no.4
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• pp.420-425
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• 1999

The maximum demand controller is an electrical equipment installed at the consumer side of power system for monitoring the electrical energy consumed during every integrating period and preventing the target maximum demand (MD) being exceeded by disconnecting sheddable loads. By avoiding the peak loads and spreading the energy requirement the controller contributes to maximizing the utility factor of the generator systems. It results in not only saving the energy but also reducing the budget for constructing the natural base facilities by keeping thc number of generating plants ~ninimumT. he conventional MD controllers often bring about the large number of control actions during the every inteyating period and/or undesirable loaddisconnecting operations during the beginning stage of the integrating period. These make the users aviod the MD controllers. In this paper. fuzzy control technique is used to get around the disadvantages of the conventional MD control system. The proposed MD controller consists of the predictor module and the fuzzy MD control module. The proposed forecasting method uses the SOFM neural network model, differently from time series analysis, and thus it has inherent advantages of neural network such as parallel processing, generalization and robustness. The MD fuzzy controller determines the sensitivity of control action based on the time closed to the end of the integrating period and the urgency of the load interrupting action along the predicted demand reaching the target. The experimental results show that the proposed method has more accurate forecastinglcontrol performance than the previous methods.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2203-2208
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• 2007

Three possible binding modes of cationic meso-tetrakis(N-methylpyridinium-4-yl)porphyrin (TMPyP) to d[(GCATATATGC)2] duplex were investigated by the molecular dynamics (MD) simulation. Among the three binding modes namely, “along the groove”, “across the groove” and “face on the groove”, the “across the groove” model exhibited the largest negative binding free energy and the DNA backbone remained as the B form. In this model, the molecular plain of the TMPyP tilts 45o with respect to the DNA helix axis and is largely exposed to the solvent. TMPyP was stabilized mainly by the interaction between the positively charged neighboring pyridinium moieties of TMPyP and negatively charged phosphate groups of DNA. The result obtained in this work by MD and the report (Jin, B. et al., J. Am. Chem. Soc. 2005, 127, 2417.) that the spectral properties of poly[d(A-T)2] bound TMPyP in the presence and absence of the minor groove binding drug 4',6- diamidino-2-phenylindole are similar, we propose that TMPyP bind across the minor groove of the AT rich- DNA.

• The korean journal of orthodontics
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• v.25 no.5 s.52
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• pp.593-604
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• 1995

Mandibular incisor crowding is one of the most common features of malocclusion and is interesting characteristic in view of relapse and stability after orthodontic treatment. There are many potential factors in the etiology of lower anterior crowding. The tooth size variation is one of them, but biologic significance for the faciolingual width of the teeth has been overlooked. Peck and Peck reported that persons with ideal mandibular incisor alignment were shown to have incisor with smaller mesiodistal and larger faciolingual dimensions than persons with incisor crowding. On the basis of these findings they suggested MD/FL index as a clinical guideline for the assessment for lower incisor crowding. The present study was undertaken to examine the relationship between mandibular incisor crowding and mandibular incisor dimension, and determine their correlation with arch length discrepancy. 154 dental casts of people from 11 to 17 years of age were made, and were divided into normal group with irregularity index less than of 1, and crowding group with irregularity index greater than 1.The casts were measured and analyzed statistically. The results were as follows. 1. The mean mesiodistal width for mandibular incisor was larger in crowding group, and has significant difference in central inciosr measurement. There are no significant differences in the faciolingul width and MD/FL index. 2. Irregularity index has significant correlation coefficients with mesiodistal width and MD/FL index for mandibular incisor in crowding group, but no correlation with faciolingual width. It also has correlation with maxillary and mandibular arch length discrepancy, total tooth material, mandibular intercanine width, and mandibular inter first premolar width. 3. Upper and lower arch length discrepancy have significant correlation with mesiodistal width of mandibular incisor and overbite, but have no correlation with faciolingual width. Lower arch lenth discrepancy has significant correlation with MD/FL index for mandibular incisor and upper arch length discrepancy has correlation with MD/FL index for mandibular lateral incisor. 4. Significant differences were observed between normal and crowding group for the mandibular arch length discrepancy and overbite.

• Journal of Korean Society of Industrial and Systems Engineering
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• v.6 no.8
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• pp.63-71
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• 1983

Aggregate planning coordinate the control variable over long-term to apply a demand variable and forcasting. In order to necessary the goal that doesn't make an inter-contradiction and explicitly defined. We made a considerable point of system approach for scheduling establishment. It include the control variables of aggregate planning : 1) employment 2) over time working and idle time 3) inventory 4) delivery delay S) subcontract 61 long - term facility capacity. Each variables composed of pure strategy as like a decision of inventory level, a change of employment level, etc. md alternative costs make a computation on the economic foundation. But the optimum alternative costs represent the mixed pure strategy. The faults of this method doesn't optimum guarantee a special scheduling as well as increasing a number of alternative combination. Theoretical, Linear Decision Rule make an including all variables, but it is almost impossible for this model to develope actually And also make use of the aggregate planning problem for developing system approach : LDR, heuristic model, Search Decision Rule, all kind of computers, simulation. But these models are very complex, each variables get an extremely inter-dependence. So this study be remained by theory level, some approach methods has not been brought the optimum solution to apply in every cases.