• Title/Summary/Keyword: Computer-Aided Design

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Pharmacophore Identification for Peroxisome Proliferator-Activated Receptor Gamma Agonists

  • Sohn, Young-Sik;Lee, Yu-No;Park, Chan-In;Hwang, S-Wan;Kim, Song-Mi;Baek, A-Young;Son, Min-Ky;Suh, Jung-Keun;Kim, Hyong-Ha;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.201-207
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    • 2011
  • Peroxisome proliferator-activated receptors (PPARs) are members of nuclear receptors and their activation induces regulation of fatty acid storage and glucose metabolism. Therefore, the $PPAR\gamma$ is a major target for the treatment of type 2 diabetes mellitus. In order to generate pharmacophore model, 1080 known agonists database was constructed and a training set was selected. The Hypo7, selected from 10 hypotheses, contains four features: three hydrogen-bond acceptors (HBA) and one general hydrophobic (HY). This pharmacophore model was validated by using 862 test set compounds with a correlation coefficient of 0.903 between actual and estimated activity. Secondly, CatScramble method was used to verify the model. Hence, the validated Hypo7 was utilized for searching new lead compounds over 238,819 and 54,620 chemical structures in NCI and Maybridge database, respectively. Then the leads were selected by screening based on the pharmacophore model, predictive activity, and Lipinski's rules. Candidates were obtained and subsequently the binding affinities to $PPAR\gamma$ were investigated by the molecular docking simulations. Finally the best two compounds were presented and would be useful to treat type 2 diabetes.

Development of 4D CT Data Generation Program based on CAD Models through the Convergence of Biomedical Engineering (CAD 모델 기반의 4D CT 데이터 제작 의용공학 융합 프로그램 개발)

  • Seo, Jeong Min;Han, Min Cheol;Lee, Hyun Su;Lee, Se Hyung;Kim, Chan Hyeong
    • Journal of the Korea Convergence Society
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    • v.8 no.4
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    • pp.131-137
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    • 2017
  • In the present study, we developed the 4D CT data generation program from CAD-based models. To evaluate the developed program, a CAD-based respiratory motion phantom was designed using CAD software, and converted into 4D CT dataset, which include 10 phases of 3D CTs. The generated 4D CT dataset was evaluated its effectiveness and accuracy through the implementation in radiation therapy planning system (RTPS). Consequently, the results show that the generated 4D CT dataset can be successfully implemented in RTPS, and targets in all phases of 4D CT dataset were moved well according to the user parameters (10 mm) with its stationarily volume (8.8 cc). The developed program, unlike real 4D CT scanner, due to the its ability to make a gold-standard dataset without any artifacts constructed by modality's movements, we believe that this program will be used when the motion effect is important, such as 4D radiation treatment planning and 4D radiation imaging.

Optical Monte Carlo Simulation on Spatial Resolution of Phosphor Coupled X-ray Imaging Detector (형광체 결합형 X선 영상검출기의 공간 해상력 몬테카를로 시뮬레이션)

  • Kang, Sang-Sik;Kim, So-Yeong;Shin, Jung-Wook;Heo, Sung-Wook;Kim, Jae-Hyung;Nam, Sang-Hee
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2007.06a
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    • pp.328-328
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    • 2007
  • Large area matrix-addressed image detectors are a recent technology for x-ray imaging with medical diagnostic and other applications. The imaging properties of x-ray pixel detectors depend on the quantum efficiency of x-rays, the generated signal of each x-ray photon and the distribution of the generated signal between pixels. In a phosphor coated detector the light signal is generated by electrons captured in the phosphor screen. In our study we simulated the lateral spread distributions for phosphor coupled detector by Monte Carlo simulations. Most simulations of such detectors simplify the setup by only taking the conversion layer into account neglecting behind. The Monte Carlo code MCNPX has been used to simulate the complete interaction and subsequent charge transport of x-ray radiation. This has allowed the analysis of charge sharing between pixel elements as an important limited factor of digital x-ray imaging system. The parameters are determined by lateral distribution of x-ray photons and x-ray induced electrons. The primary purpose of this study was to develop a design tool for the evaluation of geometry factor in the phosphor coupled optical imaging detector. In order to evaluate the spatial resolution for different phosphor material, phosphor geometry we have developed a simulation code. The developed code calculates the energy absorption and spatial distribution based on both the signal from the scintillating layer and the signal from direct detection of x-ray in the detector. We show that internal scattering contributes to the so-called spatial resolution drop of the image detector. Results from the simulation of spatial distribution in a phosphor pixel detector are presented. The spatial resolution can be increased by optimizing pixel size and phosphor thickness.

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Creep Behaviours of 9% Ni Alloy (Ni 합금강의 크리프 거동)

  • Hwang, Kyung-Choong;Kim, Jong-Bae;Kang, Sung Soo
    • Journal of Korean Ophthalmic Optics Society
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    • v.13 no.4
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    • pp.89-94
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    • 2008
  • Purpose: To observe the high temperature creep test and the fracture surface of the samples of 9% Ni alloy steel generally used for all kinds of mahine parts and predict the durability of that by determining a constant of C with a Larson-Miller variable. Methods: The equipment of this test was made into lever-beam style designed by Andrade and F. Garofalo et al.. The condition of creep test was set under 16 kinds of conditions after fixing 4 kinds of temperature condition and 4 kinds of stress condition to check how it effects the samples. Results: The temperature of creep test was increased, the stress index (n) of creep deformation was gradually decreased from 3.97 to 3.55. The activation energy of creep deformation was decreased from 90.39 to 83.64 kcal/mol when the stress was increased. A constant of C value by calculation of larson-Miller variable was about 22 and if temperature for use is suggested, the durability could be calculated. Conclusions: By analyzing the fracture phenomenon and suggesting the observation result of the fracture surface of the samples and creep test of 9% Ni alloy steel, the basic design data for the practical use of accessories in the field of equipment could be constructed and used to predict the durability of the equipment.

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Comparison of Flexural Strength of Three-Dimensional Printed Three-Unit Provisional Fixed Dental Prostheses according to Build Directions

  • Park, Sang-Mo;Park, Ji-Man;Kim, Seong-Kyun;Heo, Seong-Joo;Koak, Jai-Young
    • Journal of Korean Dental Science
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    • v.12 no.1
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    • pp.13-19
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    • 2019
  • Purpose: The aim of this study was to compare the flexural strength of provisional fixed dental prostheses which was three-dimensional (3D) printed by several build directions. Materials and Methods: A metal jig with two abutment teeth and pontic space in the middle was fabricated. This jig was scanned with a desktop scanner and provisional restoration was designed on dental computer-aided design program. On the preprocessing software, the build angles of the restorations were arranged at $0^{\circ}$, $30^{\circ}$, $45^{\circ}$, $60^{\circ}$, and $90^{\circ}$ and support was added and resultant structure was sliced to a thickness of $100{\mu}m$. Processed restorations were printed with digital light processing type 3D printer using poly methyl meta acrylate-based resin. After washing and post-curing, compressive loading was applied at a speed of 1 mm/min on a metal jig fixed to a universal testing machine. The maximum pressure at which fracture occurred was measured. For the statistical analysis, build direction was set as the independent variable and fracture strength as the dependent variable. One-way analysis of variance and Tukey's post hoc analysis was conducted to compare fracture strength among groups (${\alpha}=0.05$). Result: The mean flexural strength of provisional restoration 3D printed with the build direction of $0^{\circ}$ was $1,053{\pm}168N$; it was $1,183{\pm}188N$ at $30^{\circ}$, $1,178{\pm}81N$ at $45^{\circ}$, $1,166{\pm}133N$ at $60^{\circ}$, and $949{\pm}170N$ at $90^{\circ}$. The group with a build direction of $90^{\circ}$ showed significantly lower flexural strength than other groups (P<0.05). The flexural strength was significantly higher when the build direction was $30^{\circ}$ than when it was $90^{\circ}$ (P<0.01). Conclusion: Among the build directions $0^{\circ}$, $30^{\circ}$, $45^{\circ}$, $60^{\circ}$, and $90^{\circ}$ set for 3D printing of fixed dental prosthesis, an orientation of $30^{\circ}$ is recommended as an effective build direction for 3D printing.

Electrical Impedance Tomography for Material Profile Reconstruction of Concrete Structures (콘크리트 구조의 재료 물성 재구성을 위한 전기 임피던스 단층촬영 기법)

  • Jung, Bong-Gu;Kim, Boyoung;Kang, Jun Won;Hwang, Jin-Ha
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.32 no.4
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    • pp.249-256
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    • 2019
  • This paper presents an optimization framework of electrical impedance tomography for characterizing electrical conductivity profiles of concrete structures in two dimensions. The framework utilizes a partial-differential-equation(PDE)-constrained optimization approach that can obtain the spatial distribution of electrical conductivity using measured electrical potentials from several electrodes located on the boundary of the concrete domain. The forward problem is formulated based on a complete electrode model(CEM) for the electrical potential of a medium due to current input. The CEM consists of a Laplace equation for electrical potential and boundary conditions to represent the current inputs to the electrodes on the surface. To validate the forward solution, electrical potential calculated by the finite element method is compared with that obtained using TCAD software. The PDE-constrained optimization approach seeks the optimal values of electrical conductivity on the domain of investigation while minimizing the Lagrangian function. The Lagrangian consists of least-squares objective functional and regularization terms augmented by the weak imposition of the governing equation and boundary conditions via Lagrange multipliers. Enforcing the stationarity of the Lagrangian leads to the Karush-Kuhn-Tucker condition to obtain an optimal solution for electrical conductivity within the target medium. Numerical inversion results are reported showing the reconstruction of the electrical conductivity profile of a concrete specimen in two dimensions.

Effect of artificial aging on mechanical and physical properties of CAD-CAM PMMA resins for occlusal splints

  • Julia Correa Raffaini;Eduardo Jose Soares;Rebeca Franco de Lima Oliveira;Rocio Geng Vivanco;Ayodele Alves Amorim;Ana Lucia Caetano Pereira;Fernanda Carvalho Panzeri Pires-de-Souza
    • The Journal of Advanced Prosthodontics
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    • v.15 no.5
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    • pp.227-237
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    • 2023
  • PURPOSE. This study aimed to assess and compare the color stability, flexural strength (FS), and surface roughness of occlusal splints fabricated from heat-cured acrylic resin, milled polymethyl methacrylate (PMMA)-based resin, and 3D-printed (PMMA) based-resin. MATERIALS AND METHODS. Samples of each type of resin were obtained, and baseline measurements of color and surface roughness were recorded. The specimens were divided into three groups (n = 10) and subjected to distinct aging protocols: thermomechanical cycling (TMC), simulated brushing (SB), and control (without aging). Final assessments of color and surface roughness and three-point bending test (ODM100; Odeme) were conducted, and data were statistically analyzed (2-way ANOVA, Tukey, P <.05). RESULTS. Across all resin types, the most significant increase in surface roughness (Ra) was observed after TMC (P < .05), with the 3D-printed resin exhibiting the lowest Ra (P < .05). After brushing, milled resin displayed the highest Ra (P < .05) and greater color alteration (∆E00) compared to 3D-printed resin. The most substantial ∆E00 was recorded after brushing for all resins, except for heat-cured resin subjected to TMC. Regardless of aging, milled resin exhibited the highest FS (P < .05), except when compared to 3D-printed resin subjected to TMC. Heat-cured resin exposed to TMC demonstrated the lowest FS, different (P < .05) from the control. Under control conditions, milled resin exhibited the highest FS, different (P < .05) from the brushed group. 3D-printed resin subjected to TMC displayed the highest FS (P < .05). CONCLUSION. Among the tested resins, 3D-printed resin demonstrated superior longevity, characterized by minimal surface roughness and color alterations. Aging had a negligible impact on its mechanical properties.

Prediction accuracy of incisal points in determining occlusal plane of digital complete dentures

  • Kenta Kashiwazaki;Yuriko Komagamine;Sahaprom Namano;Ji-Man Park;Maiko Iwaki;Shunsuke Minakuchi;Manabu, Kanazawa
    • The Journal of Advanced Prosthodontics
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    • v.15 no.6
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    • pp.281-289
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    • 2023
  • PURPOSE. This study aimed to predict the positional coordinates of incisor points from the scan data of conventional complete dentures and verify their accuracy. MATERIALS AND METHODS. The standard triangulated language (STL) data of the scanned 100 pairs of complete upper and lower dentures were imported into the computer-aided design software from which the position coordinates of the points corresponding to each landmark of the jaw were obtained. The x, y, and z coordinates of the incisor point (XP, YP, and ZP) were obtained from the maxillary and mandibular landmark coordinates using regression or calculation formulas, and the accuracy was verified to determine the deviation between the measured and predicted coordinate values. YP was obtained in two ways using the hamularincisive-papilla plane (HIP) and facial measurements. Multiple regression analysis was used to predict ZP. The root mean squared error (RMSE) values were used to verify the accuracy of the XP and YP. The RMSE value was obtained after crossvalidation using the remaining 30 cases of denture STL data to verify the accuracy of ZP. RESULTS. The RMSE was 2.22 for predicting XP. When predicting YP, the RMSE of the method using the HIP plane and facial measurements was 3.18 and 0.73, respectively. Cross-validation revealed the RMSE to be 1.53. CONCLUSION. YP and ZP could be predicted from anatomical landmarks of the maxillary and mandibular edentulous jaw, suggesting that YP could be predicted with better accuracy with the addition of the position of the lower border of the upper lip.

Determination of Grades and Design Strengths of Machine Graded Lumber in Korea (국내 기계등급구조재의 등급구분체계 및 기준설계값 결정방법 연구)

  • Hong, Jung-Pyo;Lee, Jun-Jae;Park, Moon-Jae;Yeo, Hwanmyeong;Pang, Sung-Jun;Kim, Chul-Ki;Oh, Jung-Kwon
    • Journal of the Korean Wood Science and Technology
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    • v.43 no.4
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    • pp.446-455
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    • 2015
  • Based on comparative studies on standards and grading procedures of machine graded lumber in Korea and other countries, this study proposed a procedure of determining the grade classification and design strengths of domestic machine graded lumber. Differences between machine stress rated lumber and E-rated laminations were detailed in order to clarify the need for the procedure improvement. To this improvement the use of average MOE requirement for grading was introduced instead of the fixed minimum MOE requirement which is currently used in the Korean standards. It was found that the fixed minimum MOE requirement method was easier for an inspector to grade but, less efficient as a strength predictor than the average MOE requirement method. The advantage of average MOE requirement method is statistically MOR-MOE regression-based MOR prediction and highly efficient in quality control though it requires a computer-aided operation system in an initial setup. A major weakness of the current Korean grading system was found that different strength characteristics depending on wood species were not reflected on the grade classification and the tabulated allowable design stress. The proposed procedures were developed taking advantages of respective merits of both methods and based on MOR-MOE regression analysis. Through this procedure, the grades of machine stress rated lumber should be revised to become interchangeable with E-rated lamination, which would be beneficial to the cost competitiveness of domestic machine graded lumber and glued laminated timber industry.

Effect of attachments and palatal coverage of maxillary implant overdenture on stress distribution: a finite element analysis (상악 임플란트 피개의치에서 유지장치 종류와 구개 피개 유무에 따른 응력분포에 대한 유한요소분석)

  • Park, Jong-Hee;Wang, Yuan-Kun;Lee, Jeong-Jin;Park, Yeon-Hee;Seo, Jae-Min;Kim, Kyoung-A
    • Journal of Dental Rehabilitation and Applied Science
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    • v.36 no.2
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    • pp.70-79
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    • 2020
  • Purpose: The purpose of this study was to evaluate the effect of attachments and palatal coverage on stress distribution in maxillary implant overdenture using finite element analysis. Materials and Methods: Four maxillary overdenture 3-D models with four implants placed in the anterior region were fabricated with computer-aided design. 1) Ball-F: Non-splinted ball attachment and full palatal coverage, 2) Ball-P: Non-splinted ball attachment and U-shaped partial palatal coverage, 3) Bar-F: Splinted milled bar attachment and full palatal coverage, 4) Bar-P: Splinted milled bar attachment and U-shaped partial palatal coverage. Stress distribution analysis was performed with ANSYS workbench 14. 100 N vertical load was applied at the right first molar unilaterally and maximum stress was calculated at the implant, peri-implant bone and mucosa. Results: The use of the ball attachment showed lower maximum stress on implant and peri-implant bone than the use of the milled bar attachment. But it showed contrary tendency in the mucosa. Regardless of attachment, full palatal coverage showed lower maximum stress on implant, peri-implant bone and mucosa. Conclusion: Within the limitation of this study, ball attachment improved stress distribution on implant and peri-implant bone rather than milled bar attachment in maxillary implant overdenture. Also, full palatal coverage is more favorable in stress distribution.