• ETRI Journal
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• v.23 no.2
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• pp.41-51
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• 2001

MPEG-7 standardization work has started with the aims of providing fundamental tools for describing multimedia contents. MPEG-7 defines the syntax and semantics of descriptors and description schemes so that they may be used as fundamental tools for multimedia content description. In this paper, we introduce a texture based image description and retrieval method, which is adopted as the homogeneous texture descriptor in the visual part of the MPEG-7 final committee draft. The current MPEG-7 homogeneous texture descriptor consists of the mean, the standard deviation value of an image, energy, and energy deviation values of Fourier transform of the image. These are extracted from partitioned frequency channels based on the human visual system (HVS). For reliable extraction of the texture descriptor, Radon transformation is employed. This is suitable for HVS behavior. We also introduce various matching methods; for example, intensity-invariant, rotation-invariant and/or scale-invariant matching. This technique retrieves relevant texture images when the user gives a querying texture image. In order to show the promising performance of the texture descriptor, we take the experimental results with the MPEG-7 test sets. Experimental results show that the MPEG-7 texture descriptor gives an efficient and effective retrieval rate. Furthermore, it gives fast feature extraction time for constructing the texture descriptor.

• Journal of Broadcast Engineering
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• v.5 no.1
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• pp.10-22
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• 2000

In this paper, we present a texture description method as a standardization of multimedia contents description. Like color, shape, object and camera motion information, texture is one of very important information in the visual part of international standard (MPEG-7) in multimedia contents description. Current MPEG-7 texture descriptor has been designed to fit human visual system. Many psychophysical experiments give evidence that the brain decomposes the spectra into perceptual channels that are bands in spatial frequency. The MPEG-7 texture description method has employed Radon transform that fits with HVS behavior. By taking average energy and energy deviation of HVS channels, the texture descriptor is generated. To test the performance of current texture descriptor, experiments with MPEG-7 Texture data sets of T1 to T7 are performed. Results show that the current MPEG-7 texture descriptor gives better retrieval rate and fast and fast extraction time for texture feature.

• The Journal of Korea Institute of Information, Electronics, and Communication Technology
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• v.16 no.6
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• pp.378-384
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• 2023

In this study, we aim to derive the descriptor vector conditions that can simultaneously achieve the efficiency and accuracy of artificial Neural Network Potentials (NNP). The material system selected is silicon, a highly applicable material in various industries. Atomic structure-dependent energy data for training artificial neural networks were generated through density functional theory calculations. Behler-Parrinello type atomic-centered symmetric functions were employed as descriptors, and various length vector NNPs were generated. These NNPs were applied to reproduce the structure and mechanical properties of silicon materials in molecular dynamics simulations. In our findings, the minimum vector length for achieving both learning and computational efficiency while maintaining property reproducibility is approximately 50. It was also observed that, for the same conditions, incorporating more angle-dependent symmetric functions into the descriptor vector, could enhance the accuracy of NNP. Our results can provide guidelines for optimizing the conditions of descriptor vectors to achieve both efficiency and accuracy of NNP, simultaneously.

• BMB Reports
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• v.31 no.5
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• pp.459-467
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• 1998

A new set of functional group interaction energy descriptors relevant to the ACE (Angiotensin-Converting Enzyme) inhibitory peptide, QSAR (Quantitative Structure Activity Relationships), is presented. The functional group interaction energies approximate the charged interactions and distances between functional groups in molecules. The effective energies of the computationally derived geometries are useful parameters for deriving 3D-QSAR models, especially in the absence of experimentally known active site conformation. ACE is a regulatory zinc protease in the renin-angiotensin system. Therapeutic inhibition of this enzyme has proven to be a very effective treatment for the management of hypertension. The non bond interaction energy values among functional groups of six-feature of ACE inhibitory peptides were used as descriptor terms and analyzed for multivariate correlation with ACE inhibition activity. The functional group interaction energy descriptors used in the regression analysis were obtained by a series of inhibitor structures derived from molecular mechanics and semi-empirical calculations. The descriptors calculated using electrostatic and steric fields from the precisely defined functional group were sufficient to explain the biological activity of inhibitor. Application of the descriptors to the inhibition of ACE indicates that the derived QSAR has good predicting ability and provides insight into the mechanism of enzyme inhibition. The method, functional group interaction energy analysis, is expected to be applicable to predict enzyme inhibitory activity of the rationally designed inhibitors.

• Journal of the Korean Ceramic Society
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• v.53 no.3
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• pp.306-311
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• 2016

Li-air batteries have received much attention due to their superior theoretical energy density. However, their sluggish kinetics on the cathode side is considered the main barrier to high performance. The rational design of electrode catalysts with high activity is therefore an important challenge. To solve this issue, we performed density functional theory (DFT) calculations to analyze the adsorption behavior of the $LiO_2$ molecule, which is considered to be a key intermediate in both the Li-oxygen reduction reaction (ORR) and the evolution reaction (OER). Specifically, to use the activity descriptor approach, the $LiO_2$ adsorption energy, which has previously been demonstrated to be a reliable descriptor of the cathode reaction in Li-air batteries, was calculated on $LaB_{1-x}B^{\prime}_xO_3$(001) (B, B' = Mn, Fe, Co, and Ni, x = 0.0, 0.5). Our fast screening results showed that $LaMnO_3$, $LaMn_{0.5}Fe_{0.5}O_3$, or $LaFeO_3$ would be good candidate catalysts. We believe that our results will provide a way to more efficiently develop new cathode materials for Li-air batteries.

• Journal of the Korean Society of Manufacturing Technology Engineers
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• v.22 no.1
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• pp.50-55
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• 2013

In order to understand the biomaterial like the blood vessel of artery, there is a need to quantify the biomechanical behavior of the vessel. However, theoretical framework to describe and quantify the behaviour of blood vessel was not well established so far. For studying the biomechanical behavior of artery, Rubber-liked material which is similar to passive artery is selected since conventional theoretical interpretation is very limited to understand and predict the behavior of biomaterial. Rubber-like material is assumed to be very similar to artery and has properties of isotropy, homogeneity and is undergoing large deformation. Based on this assumption, stress developed on Rubber-like material is described by strain energy function and strain invariants which are required to understand the nonlinear elastic behavior of biomaterial. The descriptor which would be used for understanding the biomechanical behavior of artery is studied in this work.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.87.1-87.1
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• 2017

High functional catalyst to efficiently produce clean and earth-abundant renewable fuels plays a key role in securing energy sustainability and environmental protection of our society. Hydrogen has been considered as one of the most promising energy carrier as represented by focused research works on developing catalysts for the hydrogen evolution reaction (HER) from the water hydrolysis over the last several decades. So far, however, the major catalysts are expensive transition metals. Here using first principles density functional theory (DFT) calculations we screen various pyrites for HER by identifying fundamental descriptor governing the catalytic activity. We enable to capture a strong linearity between experimentally measured exchange current density in HER and calculated adsorption energy of hydrogen atom in the pyrites. The correlation implies that there is an underlying design principle tuning the catalytic activity of HER.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.855-861
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• 2012

A pioneering version of an on-line management system for high-energy molecules (MS-HEMs) was developed by the ADD and BMDRC in Korea. The current system can manage the physicochemical and explosive properties of virtual and existing HEMs. The on-line MS-HEMs consist of three main routines: management, calculation, and search. The management routine contains a user-friendly interface to store and manage molecular structures and other properties of the new HEMs. The calculation routine automatically calculates a number of compositional and topological molecular descriptors when a new HEM is stored in the MS-HEMs. Physical properties, such as the heat of formation and density, can also be calculated using group additivity methods. In addition, the calculation routine for the impact sensitivity can be used to obtain the safety nature of new HEMs. The impact sensitivity was estimated in a knowledge-based manner using in-house neural network code. The search routine enables general users to find an exact HEM and its properties by sketching a 2D chemical structure, or to retrieve HEMs and their properties by giving a range of properties. These on-line MS-HEMs are expected be powerful tool for deriving novel promising HEMs.

• Journal of Advanced Navigation Technology
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• v.16 no.4
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• pp.641-648
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• 2012

The up-streams of the continuous streaming of data packets with lower importance level in the wireless sink node can cause congestion and delay, they affect on energy efficiency, memory size, buffer size, and throughput. This paper proposes a new wireless sink congestion control mechanism based on tournament scheduling. The proposed method consists of two module parts: stream decision module part and service differentiation module part. The final winner in the tournament controls congestion effectively, minimizes packet loss due to congestion, decreases energy consumption, and improves QoS. The simulation result shows that the proposed method is more effective and has better performance compared with those of congestion descriptor-based control method, reliability-based control method, and best-effort transmission control method.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.126-126
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• 2017

Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.