• Bulletin of the Korean Chemical Society
• /
• v.29 no.6
• /
• pp.1149-1156
• /
• 2008

The conformational study on neutral and zwitterionic L-alanines (N-Ala and Z-Ala, respectively) and the transition state (TS) for their interconversion is carried out using ab initio HF and density functional B3LYP methods with the self-consistent reaction field method in the gas phase and in solution. At both the HF and B3LYP levels of theory, the local minimum N1 for N-Ala is found to be most preferred in the gas phase and a weak asymmetric bifurcated hydrogen bond between the amino hydrogens and the carbonyl oxygen appears to play a role in stabilizing this conformation. The local minima N2a and N2b are found to be the second preferred conformations, which seem to be stabilized by a hydrogen bond between the amino nitrogen and the carboxylic hydrogen. The relative stability of the local minimum N2b is remarkably increased in solution than that in the gas phase. The local minimum N2b becomes more stable than the local minimum N2a in most of the solution. On the whole the relative free energies of Z-Ala and TS become more lowered, as the solvent polarity increases. N-Ala prevails over Z-Ala in aprotic solutions but Z-Ala is dominantly populated in ethanol and water. In aprotic solutions, the population of Z-Ala increases somewhat with the increase of solvent polarity. The barrier to Z-Ala-to-N-Ala interconversion increases on the whole with the increase of solvent polarity, which is caused by the increase of stability for Z-Ala.

• Proceedings of the IEEK Conference
• /
• 2004.08c
• /
• pp.814-818
• /
• 2004

Off-line handwritten character recognition is in difficulty of incomplete preprocessing because it has not dynamic and timing information besides has various handwriting, extreme overlap of the consonant and vowel and many error image of stroke. Consequently off-line handwritten character recognition needs to study about preprocessing of various methods such as binarization and thinning. This paper considers running time of watershed algorithm and the quality of resulting image as preprocessing For off-line handwritten Korean character recognition. So it proposes application of effective watershed algorithm for segmentation of character region and background region in gray level character image and segmentation function for binarization image and segmentation function for binarization by extracted watershed image. Besides it proposes thinning methods which effectively extracts skeleton through conditional test mask considering running time and quality. of skeleton, estimates efficiency of existing methods and this paper's methods as running time and quality. Watershed image conversion uses prewitt operator for gradient image conversion, extracts local minima considering 8-neighborhood pixel. And methods by using difference of mean value is used in region merging step, Converted watershed image by means of this methods separates effectively character region and background region applying to segmentation function. Average execution time on the previous method was 2.16 second and on this paper method was 1.72 second. We prove that this paper's method removed noise effectively with overlap stroke as compared with the previous method.

• Journal of the Institute of Electronics Engineers of Korea SP
• /
• v.43 no.6 s.312
• /
• pp.85-96
• /
• 2006

This paper deal with a method for efficient placing 2 dimensional virtual labels on the view plane. The proposed method has suitable computational costs for realtime processing and it overcomes the local minima problem which is not solved in previous automatic label placement algorithms, and also it enhances readability by placing labels in less congestion area on the view plane. Background analysis must be considered for label placement. However previous works do not concern with this problem seriously. And furthermore, automatic label placement algorithm and background analysis algorithm have been studied separately in their own field. This paper proposed the background analysis method using background color and texture component to enhance readability, and it is the first research about analyzing the background of color image and applying it in automatic label placement field. This paper shown improved placement performance through combining automatic label placement algorithm and background analysis algorithm organically, and various experiments verified it.

• The Journal of the Institute of Internet, Broadcasting and Communication
• /
• v.16 no.4
• /
• pp.125-131
• /
• 2016

Tongue image segmentation is critical for automation of the tongue diagnosis system. However, most image segmentation methods for tongue diagnosis systems in oriental medicine have been proposed as user-based manual types or semi-automatic types. This study proposed a new method for tongue image segmentation, which is the most important image processing stage for complete automation of the tongue diagnosis system in oriental medicine. The proposed method improved the conventional snake algorithm, by making improvement on the internal energy function so that, as the points move outward reversely, the snake energy function is minimized, by using the image characteristics of tongue images. To calculate external energy, hierarchical spatial filtering is applied to ensure resistance against noise. Also, The proposed method was tested by using sample images and actual images, and showed more robustness against the background noise than the conventional snake algorithm. And, when one selected point was moved by the improved snake algorithm, energy values at the starting, middle, and end points were analyzed, and showed robustness that does not fall in the local minima.

• Smart Structures and Systems
• /
• v.21 no.4
• /
• pp.435-448
• /
• 2018

This paper reports the development of a theoretically rigorous method for permanent way engineers to assess the condition of railway ballast under a concrete sleeper with the potential to be extended to a smart system for long-term health monitoring of railway ballast. Owing to the uncertainties induced by the problems of modeling error and measurement noise, the Bayesian approach was followed in the development. After the selection of the most plausible model class for describing the damage status of the rail-sleeper-ballast system, Bayesian model updating is adopted to calculate the posterior PDF of the ballast stiffness at various regions under the sleeper. An obvious drop in ballast stiffness at a region under the sleeper is an evidence of ballast damage. In model updating, the model that can minimize the discrepancy between the measured and model-predicted modal parameters can be considered as the most probable model for calculating the posterior PDF under the Bayesian framework. To address the problems of non-uniqueness and local minima in the model updating process, a two-stage hybrid optimization method was developed. The modified evolutionary algorithm was developed in the first stage to identify the important regions in the parameter space and resulting in a set of initial trials for deterministic optimization to locate all most probable models in the second stage. The proposed methodology was numerically and experimentally verified. Using the identified model, a series of comprehensive numerical case studies was carried out to investigate the effects of data quantity and quality on the results of ballast damage detection. Difficulties to be overcome before the proposed method can be extended to a long-term ballast monitoring system are discussed in the conclusion.

• Journal of Astronomy and Space Sciences
• /
• v.32 no.4
• /
• pp.327-333
• /
• 2015

Previously, all-sky airglow images observed at Shigaraki ($34.9^{\circ}N$, $136.1^{\circ}E$), Japan, during 2004 and 2005 were analyzed in relation to those observed at Mt. Bohyun ($36.2^{\circ}N$, $128.9^{\circ}E$) for a comparison of their gravity wave characteristics (Kim et al. 2010). By applying the same selection criteria of waves and cloud coverages as in the case of Mt. Bohyun all-sky images, we derived apparent wavelengths, periods, phase velocities, and monthly occurrence rates of gravity waves at Shigaraki in this study. The distributions of wavelengths, periods, and speeds derived for Shigaraki were found to be roughly similar to those for Mt. Bohyun. However, the overall occurrence rates of gravity waves at Shigaraki were 36% and 34% for OI 557.7 nm and OH Meinel band airglow layers, respectively, which were significantly higher than those at Mt. Bohyun. The monthly occurrence rates did not show minima near equinox months, unlike those for Mt. Bohyun. Furthermore, the seasonal preferential directions that were clearly apparent for Mt. Bohyun were not seen in the wave propagation trends for Shigaraki. These differences between the two sites imply different origins of the gravity waves near the Korean peninsula and the Japanese islands. The gravity waves over the Japanese islands may originate from sources at various altitudes; therefore, wind filtering may not be effective in causing any seasonal preferential directions in the waves in the airglow layers. Our analysis of the Shigaraki data supports recent theoretical studies, according to which gravity waves can be generated from in situ sources, such as mesosphere wind shear or secondary wave formation, in the mesosphere.

• Journal of the Korean Chemical Society
• /
• v.47 no.4
• /
• pp.325-333
• /
• 2003

The geometrical parameters, vibrational frequencies, and relative energies for 1,2-, 1,3-dioxetanes, and 1,3-cyclodisiloxane have been investigated using high level ab initio quantum mechanical techniques with large basis sets. The geometries have been optimized at the self-consistent field(SCF), the single and double excitation configuration interaction(CISD), the coupled cluster with single and double excitation(CCSD), and the CCSD with connected triple excitations[CCSD(T)] levels of theory. The highest level of theory employed in this study is TZ2P CCSD(T). Harmonic vibrational frequencies and IR intensities are also determined at the SCF level of theory with various basis sets and confirm that all the optimized geometries are true minima. Also zero-point vibrational energies have been considered to predict the dimerization energies for 1,2- and 1,3-isomers.

• Journal of Digital Contents Society
• /
• v.9 no.2
• /
• pp.305-315
• /
• 2008

Pre-proposed AHHS(Adaptive Hierarchical Hexagon Search) is a kind of the fast hierarchical block matching algorithm based on the AHS(Adaptive Hexagon Search). It is characterized as keeping the merits of the AHS capable of fast estimating motion vectors and also adaptively reducing the local minima often occurred in the video sequences with higher spatio-temporal motion activity. The objective of this paper is to propose the method effectively extending the horizontal biased pattern and the vertical biased pattern of the AHHS to improve its predictive image quality. In the paper, based on computer simulation results for multiple video sequences with different motion characteristics, the performance of the proposed method was analysed and assessed in terms of the predictive image quality and the computational time. The simulation results indicated that the proposed method was both suitable for (quasi-) stationary and large motion searches. While the proposed method increased the computational load on the process extending the hexagon search patterns, it could improve the predictive image quality so as to cancel out the increase of the computational load.

• Journal of the Institute of Electronics Engineers of Korea SP
• /
• v.44 no.4 s.316
• /
• pp.86-92
• /
• 2007

A discrete dynamic model for tracking feature points in 2D images is developed. Conventional snake approaches deform a contour to lock onto features of interest within an image by finding a minimum of its energy functional, composed of internal and external forces. The neighborhood around center snaxel is a space matrix, typically rectangular. The structure of the model proposed in this paper is a set of connected vertices. Energy model is designed for its local minima to comprise the set of alternative solutions available to active process. Block on tracking is one dimension, line type. Initial starting points are defined to the satisfaction of indent states, which is then automatically modified by an energy minimizing process. The track is influenced by curvature constraints, ascent/descent or upper/lower points. The advantages and effectiveness of this layer approach may also be applied to feature points tracking of digital image whose pixels have one directional properties with high autocorrelation between adjacent data lines, vertically or horizontally. The test image is the ultrasonic carotid artery image of human body, and we have verified its effect on intima/adventitia starting points tracking.

• Bulletin of the Korean Chemical Society
• /
• v.23 no.2
• /
• pp.337-345
• /
• 2002

The equilibrium structures for the ground and transition states of $C_7H_7^+$ isomers have been investigated using sophisticated ab initio quantum mechanical techniques with various basis sets. The structures of tropyrium and benzyl cations have been fully optimized at the DZP CCSD(T) levels of theory. And the structures of o-, m-and p-tolyl cations are optimized fully up to the DZ CCSD(T) levels of theory. The geometries for the transition states between three isomers of tolyl cations have been optimized up to DZP CISD level of theory. The SCF harmonic vibrational frequencies for tropylium, benzyl, and three isomers of tolyl cations are all real numbers, which confirm the potential minima and each unique imaginary vibrational frequencies for TS1 and TS2 confirm the true transition states. The relative energy of the benzyl cation with respect to the tropyrium cation is predicted to be 28.5 kJ/mol and is in good agreement with the previous theoretical predictions. The 0 K heats of formation, ${\Delta}H^{\circ}_{f0}$, have been predicted to be 890, 1095, 1101, and 1110 kJ/mol for tropylium, ortho-, meta-, and para-tolyl cations by taking the experimental value of 919 kJ/mol for the benzyl cation as the base level. The relative stability between tolyl cations is in the order of ortho