• Title/Summary/Keyword: interaction topology

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Adsorption of Mercury(II) Chloride and Carbon Dioxide on Graphene/Calcium Oxide (0 0 1)

  • Mananghaya, Michael;Yu, Dennis;Santos, Gil Nonato;Rodulfo, Emmanuel
    • Korean Journal of Materials Research
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    • v.26 no.6
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    • pp.298-305
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    • 2016
  • In this work, recent progress on graphene/metal oxide composites as advanced materials for $HgCl_2$ and $CO_2$ capture was investigated. Density Functional Theory calculations were used to understand the effects of temperature on the adsorption ability of $HgCl_2$ and water vapor on $CO_2$ adsorption on CaO (001) with reinforced carbon-based nanostructures using B3LYP functional. Understanding the mechanism by which mercury and $CO_2$ adsorb on graphene/CaO (g-CaO) is crucial to the design and fabrication of effective capture technologies. The results obtained from the optimized geometries and frequencies of the proposed cluster site structures predicted that with respect to molecular binding the system possesses unusually large $HgCl_2$ ($0.1-0.4HgCl_2g/g$ sorbent) and $CO_2$ ($0.2-0.6CO_2g/g$ sorbent) uptake capacities. The $HgCl_2$ and $CO_2$ were found to be stable on the surface as a result of the topology and a strong interaction with the g-CaO system; these results strongly suggest the potential of CaO-doped carbon materials for $HgCl_2$ and $CO_2$ capture applications, the functional gives reliable answers compared to available experimental data.

Automatic Bone Segmentation from CT Images Using Chan-Vese Multiphase Active Contour

  • Truc, P.T.H.;Kim, T.S.;Kim, Y.H.;Ahn, Y.B.;Lee, Y.K.;Lee, S.Y.
    • Journal of Biomedical Engineering Research
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    • v.28 no.6
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    • pp.713-720
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    • 2007
  • In image-guided surgery, automatic bone segmentation of Computed Tomography (CT) images is an important but challenging step. Previous attempts include intensity-, edge-, region-, and deformable curve-based approaches [1], but none claims fully satisfactory performance. Although active contour (AC) techniques possess many excellent characteristics, their applications in CT image segmentation have not worthily exploited yet. In this study, we have evaluated the automaticity and performance of the model of Chan-Vese Multiphase AC Without Edges towards knee bone segmentation from CT images. This model is suitable because it is initialization-insensitive and topology-adaptive. Its segmentation results have been qualitatively compared with those from four other widely used AC models: namely Gradient Vector Flow (GVF) AC, Geometric AC, Geodesic AC, and GVF Fast Geometric AC. To quantitatively evaluate its performance, the results from a commercial software and a medical expert have been used. The evaluation results show that the Chan-Vese model provides superior performance with least user interaction, proving its suitability for automatic bone segmentation from CT images.

A Study on the Evaluation of Structural Properties of Wind Turbine Blade-Part1 (풍력터빈의 구조특성 평가에 관한 연구-Part1)

  • Lee, Kyoung-Soo;Huque, Ziaul;Kommalapati, Raghava;Han, Sang-Eul
    • Journal of Korean Association for Spatial Structures
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    • v.14 no.4
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    • pp.47-54
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    • 2014
  • This paper presents the structural model development and verification processes of wind turbine blade. The National Renewable Energy Laboratory (NREL) Phase VI wind turbine which the wind tunnel and structural test data has publicly available is used for the study. The wind turbine assembled by blades, rotor, nacelle and tower. The wind blade connected to rotor. To make the whole turbine structural model, the mass and stiffness properties of all parts should be clear and given. However the wind blade, hub, nacelle, rotor and power generating machinery parts have difficulties to define the material properties because of the composite and assembling nature of that. Nowadays to increase the power generating coefficient and cost efficiency, the highly accurate aerodynamic loading evaluating technique should be developed. The Fluid-Structure Interaction (FSI) is the emerging new way to evaluate the aerodynamic force on the rotating wind blade. To perform the FSI analysis, the fluid and structural model which are sharing the associated interface topology have to be provided. In this paper, the structural model of blade development and verifying processes have been explained for Part1. In following Part2 paper, the processes of whole turbine system will be discussing.

An Interactive Perspective Scene Completion Framework Guided by Complanate Mesh

  • Hao, Chuanyan;Jin, Zilong;Yang, Zhixin;Chen, Yadang
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.14 no.1
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    • pp.183-200
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    • 2020
  • This paper presents an efficient interactive framework for perspective scene completion and editing tasks, which are available largely in the real world but rarely studied in the field of image completion. Considering that it is quite hard to extract perspective information from a single image, this work starts from a friendly and portable interactive platform to obtain the basic perspective data. Then, in order to make this interface less sensitive, easier and more flexible, a perspective-rectification based correction mechanism is proposed to iteratively update the locations of the initial points selected by users. At last, a complanate mesh is generated by the geometry calculations from these corrected initial positions. This mesh must approximate the perspective direction and the structure topology as much as possible so that the filling process can be conducted under the constraint of the perspective effects of the original image. Our experiments show the results with good qualities and performances, and also demonstrate the validity of our approaches by various perspective scenes and images.

Six-degree-of-freedom Haptic Rendering using Translational and Generalized Penetration Depth Computation (선형 및 일반형 침투깊이를 이용한 6자유도 햅틱 렌더링 알고리즘)

  • Li, Yi;Lee, Youngeun;Kim, Young J.
    • The Journal of Korea Robotics Society
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    • v.8 no.3
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    • pp.173-178
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    • 2013
  • We present six-degree-of-freedom (6DoF) haptic rendering algorithms using translational ($PD_t$) and generalized penetration depth ($PD_g$). Our rendering algorithm can handle any type of object/object haptic interaction using penalty-based response and makes no assumption about the underlying geometry and topology. Moreover, our rendering algorithm can effectively deal with multiple contacts. Our penetration depth algorithms for $PD_t$ and $PD_g$ are based on a contact-space projection technique combined with iterative, local optimization on the contact-space. We circumvent the local minima problem, imposed by the local optimization, using motion coherence present in the haptic simulation. Our experimental results show that our methods can produce high-fidelity force feedback for general polygonal models consisting of tens of thousands of triangles at near-haptic rates, and are successfully integrated into an off-the-shelf 6DoF haptic device. We also discuss the benefits of using different formulations of penetration depth in the context of 6DoF haptics.

Two Algorithms for Constructing the Voronoi Diagram for 3D Spheres and Applications to Protein Structure Analysis (삼차원 구의 보로노이 다이어그램 계산을 위한 두 가지 알고리듬 및 단백질구조채석에의 응용)

  • Kim D.;Choi Y.;Kim D.S.
    • Korean Journal of Computational Design and Engineering
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    • v.11 no.2
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    • pp.97-106
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    • 2006
  • Voronoi diagrams have been known for numerous important applications in science and engineering including CAD/CAM. Especially, the Voronoi diagram for 3D spheres has been known as very useful tool to analyze spatial structural properties of molecules or materials modeled by a set of spherical atoms. In this paper, we present two algorithms, the edge-tracing algorithm and the region-expansion algorithm, for constructing the Voronoi diagram of 3D spheres and applications to protein structure analysis. The basic scheme of the edge-tracing algorithm is to follow Voronoi edges until the construction is completed in O(mn) time in the worst-case, where m and n are the numbers of edges and spheres, respectively. On the other hand, the region-expansion algorithm constructs the desired Voronoi diagram by expanding Voronoi regions for one sphere after another via a series of topology operations, starting from the ordinary Voronoi diagram for the centers of spheres. It turns out that the region-expansion algorithm also has the worst-case time complexity of O(mn). The Voronoi diagram for 3D spheres can play key roles in various analyses of protein structures such as the pocket recognition, molecular surface construction, and protein-protein interaction interface construction.

Partial AUC maximization for essential gene prediction using genetic algorithms

  • Hwang, Kyu-Baek;Ha, Beom-Yong;Ju, Sanghun;Kim, Sangsoo
    • BMB Reports
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    • v.46 no.1
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    • pp.41-46
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    • 2013
  • Identifying genes indispensable for an organism's life and their characteristics is one of the central questions in current biological research, and hence it would be helpful to develop computational approaches towards the prediction of essential genes. The performance of a predictor is usually measured by the area under the receiver operating characteristic curve (AUC). We propose a novel method by implementing genetic algorithms to maximize the partial AUC that is restricted to a specific interval of lower false positive rate (FPR), the region relevant to follow-up experimental validation. Our predictor uses various features based on sequence information, protein-protein interaction network topology, and gene expression profiles. A feature selection wrapper was developed to alleviate the over-fitting problem and to weigh each feature's relevance to prediction. We evaluated our method using the proteome of budding yeast. Our implementation of genetic algorithms maximizing the partial AUC below 0.05 or 0.10 of FPR outperformed other popular classification methods.

Gene Co-expression Analysis to Characterize Genes Related to Marbling Trait in Hanwoo (Korean) Cattle

  • Lim, Dajeong;Lee, Seung-Hwan;Kim, Nam-Kuk;Cho, Yong-Min;Chai, Han-Ha;Seong, Hwan-Hoo;Kim, Heebal
    • Asian-Australasian Journal of Animal Sciences
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    • v.26 no.1
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    • pp.19-29
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    • 2013
  • Marbling (intramuscular fat) is an important trait that affects meat quality and is a casual factor determining the price of beef in the Korean beef market. It is a complex trait and has many biological pathways related to muscle and fat. There is a need to identify functional modules or genes related to marbling traits and investigate their relationships through a weighted gene co-expression network analysis based on the system level. Therefore, we investigated the co-expression relationships of genes related to the 'marbling score' trait and systemically analyzed the network topology in Hanwoo (Korean cattle). As a result, we determined 3 modules (gene groups) that showed statistically significant results for marbling score. In particular, one module (denoted as red) has a statistically significant result for marbling score (p = 0.008) and intramuscular fat (p = 0.02) and water capacity (p = 0.006). From functional enrichment and relationship analysis of the red module, the pathway hub genes (IL6, CHRNE, RB1, INHBA and NPPA) have a direct interaction relationship and share the biological functions related to fat or muscle, such as adipogenesis or muscle growth. This is the first gene network study with m.logissimus in Hanwoo to observe co-expression patterns in divergent marbling phenotypes. It may provide insights into the functional mechanisms of the marbling trait.

Mechanisms of Selective Antimicrobial Activity of Gaegurin 4

  • Kim, Hee-Jeong;Lee, Byeong-Jae;Lee, Mun-Han;Hong, Seong-Geun;Ryu, Pan-Dong
    • The Korean Journal of Physiology and Pharmacology
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    • v.13 no.1
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    • pp.39-47
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    • 2009
  • Gaegurin 4(GGN 4), an antimicrobial peptide isolated from a Korean frog, is five times more potent against Gram-positive than Gram-negative bacteria, but has little hemolytic activity. To understand the mechanism of such cell selectivity, we examined GGN4-induced $K^+$ efflux from target cells, and membrane conductances in planar lipid bilayers. The $K^+$ efflux from Gram-positive M. luteus(2.5 ${\mu}g/ml$) was faster and larger than that from Gram-negative E. coli(75 ${\mu}g/ml$), while that from RBC was negligible even at higher concentration(100 ${\mu}g/ml$). GGN4 induced larger conductances in the planar bilayers which were formed with lipids extracted from Gram-positive B. subtilis than in those from E. coli(p<0.01), however, the effects of GGN4 were not selective in the bilayers formed with lipids from E. coli and red blood cells. Addition of an acidic phospholipid, phosphatidylserine to planar bilayers increased the GGN4-induced membrane conductance(p<0.05), but addition of phosphatidylcholine or cholesterol reduced it(p<0.05). Transmission electron microscopy revealed that GGN4 induced pore-like damages in M. luteus and dis-layering damages on the outer wall of E. coli. Taken together, the present results indicate that the selectivity of GGN4 toward Gram-positive over Gram-negative bacteria is due to negative surface charges, and interaction of GGN4 with outer walls. The selectivity toward bacteria over RBC is due to the presence of phosphatidylcholine and cholesterol, and the trans-bilayer lipid asymmetry in RBC. The results suggest that design of selective antimicrobial peptides should be based on the composition and topology of membrane lipids in the target cells.

A Fast Recovery Publish/Subscribe Scheme in Mobile Ad-hoc Environments (이동 애드혹 환경에서 빠른 복구를 지원하는 발행/구독 기법)

  • Moon, Sang-Chul;Ko, Yang-Woo;Lee, Dong-Man
    • Journal of KIISE:Computing Practices and Letters
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    • v.14 no.2
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    • pp.186-190
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    • 2008
  • This paper analyzes previous work on publish/subscribe in mobile ad-hoc networks with respect to collaboration methods among distributed event brokers. Our experiments suggest that approaches building event delivery structures are suitable for a scenario where there are events of various types each of which is consumed by a few subscribers. However, these approaches based on independent periodic exchange of network topology information may fail to reflect the up-to-date information when building event delivery paths. For this reason they do not correctly recover a broken path caused by node mobility, which results in lower event delivery rates. This paper proposes a scheme for building and maintaining event delivery paths based on advertisements initiated by and hence propagated from the root node. This guarantees correct recovery of event delivery paths within each period. Our experiments show that, our proposed scheme gives a better event delivery ratio with lower overhead.