• Title/Summary/Keyword: 3D template

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In-silico Modeling of Chemokine Receptor CCR2 And CCR5 to Assist the Design of Effective and Selective Antagonists

  • Kothandan, Gugan;Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.5 no.1
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    • pp.32-37
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    • 2012
  • Chemokine receptor antagonists have potential applications in field of drug discovery. Although the chemokine receptors are G-protein-coupled receptors, their cognate ligands are small proteins (8 to 12 kDa), and so inhibiting the ligand/receptor interaction has been challenging. The application of structure-based in-silico methods to drug discovery is still considered a major challenge, especially when the x-ray structure of the target protein is unknown. Such is the case with human CCR2 and CCR5, the most important members of the chemokine receptor family and also a potential drug target. Herein, we review the success stories of combined receptor modeling/mutagenesis approach to probe the allosteric nature of chemokine receptor binding by small molecule antagonists for CCR2 and CCR5 using Rhodopsin as template. We also urged the importance of recently available ${\beta}2$-andrenergic receptor as an alternate template to guide mutagenesis. The results demonstrate the usefulness and robustness of in-silico 3D models. These models could also be useful for the design of novel and potent CCR2 and CCR5 antagonists using structure based drug design.

Synthesizing Faces of Animation Characters Using a 3D Model (3차원 모델을 사용한 애니메이션 캐릭터 얼굴의 합성)

  • Jang, Seok-Woo;Kim, Gye-Young
    • Journal of the Korea Society of Computer and Information
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    • v.17 no.8
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    • pp.31-40
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    • 2012
  • In this paper, we propose a method of synthesizing faces of a user and an animation character using a 3D face model. The suggested method first receives two orthogonal 2D face images and extracts major features of the face through the template snake. It then generates a user-customized 3D face model by adjusting a generalized face model using the extracted facial features and by mapping texture maps obtained from two input images to the 3D face model. Finally, it generates a user-customized animation character by synthesizing the generated 3D model to an animation character reflecting the position, size, facial expressions, and rotational information of the character. Experimental results show some results to verify the performance of the suggested algorithm. We expect that our method will be useful to various applications such as games and animation movies.

Preparation of $SiO_2-TiO_2$ Porous Composite Pigments Using a Pickering Emulsion Method as Template (피커링 에멀젼을 형판으로 하는 $SiO_2-TiO_2$ 다공성 분체의 제조)

  • Lee, Sang-Gil;Kim, Young-Ho;Hong, Jun-Ki;Pyo, Hyeong-Bae;Lee, Dong-Kyu
    • Journal of the Korean Applied Science and Technology
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    • v.29 no.3
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    • pp.377-392
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    • 2012
  • It has been known that small solid particles act as a stabilizer in pickering emulsion system. In this study, we successfully prepared stable pickering emulsion in n-hexylalcohol and water system with $TiO_2$ whose surface was treated by alkylsilane. The optimum condition to prepare pickering emulsion stabilized by $TiO_2$ particles was determined by amount of $TiO_2$ particles and ratio of water and oil phase. The type of pickering emulsion was dependent on wettability of particles for water and n-hexylalcohol. When the amount of $TiO_2$ particles increased up to 5.00 wt%, the stability of pickering emulsion was showed to be improved. The most stable pickering emulsion was prepared in the case of W/O type which has the ratio of oil and water phase (3 : 7). We tried to prepare porous $SiO_2-TiO_2$ composite pigments using a pickering emulsion as template at the optimal condition. Porous pigments were synthesized with Ludox HS-30 as an inorganic material by sol-gel process. The characteristics and shape of porous pigments were measured by optical microscope, SEM, BET, XRD and EDS.

Interactive prostate shape reconstruction from 3D TRUS images

  • Furuhata, Tomotake;Song, Inho;Zhang, Hong;Rabin, Yoed;Shimada, Kenji
    • Journal of Computational Design and Engineering
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    • v.1 no.4
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    • pp.272-288
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    • 2014
  • This paper presents a two-step, semi-automated method for reconstructing a three-dimensional (3D) shape of the prostate from a 3D transrectal ultrasound (TRUS) image. While the method has been developed for prostate ultrasound imaging, it can potentially be applicable to any other organ of the body and other imaging modalities. The proposed method takes as input a 3D TRUS image and generates a watertight 3D surface model of the prostate. In the first step, the system lets the user visualize and navigate through the input volumetric image by displaying cross sectional views oriented in arbitrary directions. The user then draws partial/full contours on selected cross sectional views. In the second step, the method automatically generates a watertight 3D surface of the prostate by fitting a deformable spherical template to the set of user-specified contours. Since the method allows the user to select the best cross-sectional directions and draw only clearly recognizable partial or full contours, the user can avoid time-consuming and inaccurate guesswork on where prostate contours are located. By avoiding the usage of noisy, incomprehensible portions of the TRUS image, the proposed method yields more accurate prostate shapes than conventional methods that demand complete cross-sectional contours selected manually, or automatically using an image processing tool. Our experiments confirmed that a 3D watertight surface of the prostate can be generated within five minutes even from a volumetric image with a high level of speckles and shadow noises.

Synthesis of Lysophosphatidylcholine Analogues Using D-Mannitol as a Chiral Template and Their Biological Activity for Sepsis

  • Heo, Hye Jin;Jung, Jun-Sub;Lee, Jung Ho;Han, Su Young;Bang, Hyun Bae;Song, Dong-Keun;Jun, Jong-Gab
    • Bulletin of the Korean Chemical Society
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    • v.27 no.8
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    • pp.1149-1153
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    • 2006
  • LPC analogues including natural and unnatural LPC, 3-L-2-PC, acetylated LPC and ethylene glycol derivative are prepared from D-mannitol using in convenient procedures by only changing the synthetic sequences, and their protective activities against cecal ligation and puncture (CLP)-induced severe sepsis are compared. The chirality at C2 position in LPC is found to be required as (S)-configuration for sepsis inhibition, comparing from the protection activity between LPC 6 and unnatural LPC 8. The hydroxyl functionality is also very important and required at C2 or C3 position as shown in the protection activities of ethylene glycol analogue 11 and 3-L-2-PC 9.

Synthesis and Characterization of New Nickel (II) and Copper (II) Complexes of a Pentaaza Macrobicyclic Ligand (새로운 펜타아자 거대두고리 기간드의 니켈 (II) 및 구리 (II) 착화합물의 합성과 특성)

  • Kang Shin Geol;Jung Soo Kyung
    • Journal of the Korean Chemical Society
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    • v.33 no.5
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    • pp.510-515
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    • 1989
  • New nickel(II) and coppr(II) complexes of a saturated pentaaza macrobicyclic ligand $[Ni(D)]^{2+},\;[Cu(D)]^{2+},\;and\;[Cu(D)Cl]^+$, where D is 1,3,6,9,12-pentaazabicyclo[10,2,l]pentadecane, have been prepared by the template condensation reaction of tetraethylenepentamine and formaldehyde in the presence of the metal ion. The complexes contain one imidazolidine ring in the macrobicyclic ligand, D. The complexes $[Ni(D)]^{2+}\;and\;[Cu(D)]^{2+}$ have square planar geometry with 5-5-5-6 chelate ring sequence. The electronic spectra of $[Cu(D)Cl]^+$indicate that the complex has square pyramidal geometry. Synthesis, charactrization, and the spectroscopic and chemical properties of the macrobicyclic nickel(II) and copper(II) complexes are described.

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Accurate Pose Measurement of Label-attached Small Objects Using a 3D Vision Technique (3차원 비전 기술을 이용한 라벨부착 소형 물체의 정밀 자세 측정)

  • Kim, Eung-su;Kim, Kye-Kyung;Wijenayake, Udaya;Park, Soon-Yong
    • Journal of Institute of Control, Robotics and Systems
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    • v.22 no.10
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    • pp.839-846
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    • 2016
  • Bin picking is a task of picking a small object from a bin. For accurate bin picking, the 3D pose information, position, and orientation of a small object is required because the object is mixed with other objects of the same type in the bin. Using this 3D pose information, a robotic gripper can pick an object using exact distance and orientation measurements. In this paper, we propose a 3D vision technique for accurate measurement of 3D position and orientation of small objects, on which a paper label is stuck to the surface. We use a maximally stable extremal regions (MSERs) algorithm to detect the label areas in a left bin image acquired from a stereo camera. In each label area, image features are detected and their correlation with a right image is determined by a stereo vision technique. Then, the 3D position and orientation of the objects are measured accurately using a transformation from the camera coordinate system to the new label coordinate system. For stable measurement during a bin picking task, the pose information is filtered by averaging at fixed time intervals. Our experimental results indicate that the proposed technique yields pose accuracy between 0.4~0.5mm in positional measurements and $0.2-0.6^{\circ}$ in angle measurements.

Controlled Growth of Layered Silver Stearate on 2D and 3D Surfaces

  • Lee, Seung-Joon;Han, Sang-Woo;Kim, Kwan
    • ETRI Journal
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    • v.25 no.6
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    • pp.517-522
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    • 2003
  • This investigation confirms that silver stearate consists of an infinite-sheet, two-dimensional, nonmolecular layered structure. Scanning electron microscopy, X-ray diffraction, and infrared spectroscopy reveal the following: plate-like morphology is identified from the SEM image, XRD peaks can be indexed to the (0k0) reflections of a layered structure, and infrared peaks show that alkyl chains are present in an all-trans conformational state with little or no significant gauche population. Based on these structural characteristics, we demonstrate that silver stearate, a prototype of layered organic-inorganic hybrid material, can be grown not only in a designed two-dimensional pattern but also in three-dimensionally ordered ways by using carboxyl-group terminated nanoparticles as a template.

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3D Structure Prediction of Thromboxane A2 Receptor by Homology Modeling

  • Nagarajan, Santhosh Kumar;Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.8 no.1
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    • pp.75-79
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    • 2015
  • Thromboxane A2 receptors (TXA2-R) are the G protein coupled receptors localized on cell membranes and intracellular structures and play pathophysiological role in various thrombosis/hemostasis, modulation of the immune response, acute myocardial infarction, inflammatory lung disease, hypertension and nephrotic disease. TXA2 receptor antagonists have been evaluated as potential therapeutic agents for asthma, thrombosis and hypertension. The role of TXA2 in wide spectrum of diseases makes this as an important drug target. Hence in the present study, homology modeling of TXA2 receptor was performed using the crystal structure of squid rhodopsin and night blindness causing G90D rhodopsin. 20 models were generated using single and multiple templates based approaches and the best model was selected based on the validation result. We found that multiple template based approach have given better accuracy. The generated structures can be used in future for further binding site and docking analysis.

A Query Processing Model based on the XML View in Relational Databases (관계형 데이터베이스에서 XML 뷰 기반의 질의 처리 모델)

  • Jung, Chai-Young;Choi, Kyu-Won;Kim, Young-Ok;Kim, Young-Kyun;Kang, Hyun-Syug;Bae, Jong-Min
    • The KIPS Transactions:PartD
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    • v.10D no.2
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    • pp.221-232
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    • 2003
  • This paper addresses the query processing component of a wrapper system for a relational database model based on the XML view in integrating databases. The schema of a relational database is represented as XML Schema that is proposed by W3C. Users submit a query using the XML query language XQuery over the XML Schema. The wrapper system to be developed supports an user-defined XML view. XQuery is also used as the view definition language. In this environment, this paper suggests a new XML query processing model. We propose the composition algorithm of an XML view with an user query, the translation algorithm of XQuery into SQL, and the XML template construction algorithm for generating XML documents.