• Journal of the Korean Chemical Society
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• v.45 no.5
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• pp.401-412
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• 2001

The geometrical parameters, vibrational frequencies, and dissociation energies for $H_{2n+1}^+$ (n=1~6) clusters have been investigated using high level ab initio quantum mechanical techniques with large basis sets. The equilibrium 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 levels of theory employed in this study are TZ2P+d CCSD(T) up to $H^+_g$ and TZ2P CCSD(T) for $H_{11}^+$ and $H_{13}^+$. Harmonic vibrational frequencies are also determined at the SCF level of theory with various basis sets and confirm that all the optimized geometries are true minima. The dissociation energies, $D_e$, for $H_{2n+1}^+$ (n=26) have been predicted using energy differences at each optimized geometry and zero-point vibrational energies(ZPVEs) have been considered to compare with experimental dissociation energies, $D_0$.

• The Korean Journal of Physiology and Pharmacology
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• v.3 no.2
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• pp.223-230
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• 1999

Alterations of cardiovascular function associated with various thyroid states have been studied. In hyperthyroidism left ventricular contractility and relaxation velocity were increased, whereas these parameters were decreased in hypothyroidism. The mechanisms for these changes have been suggested to include alterations in the expression and/or activity levels of various proteins; ${\alpha}-myosin$ heavy chain, ${\beta}-myosin$ heavy chain, ${\beta}-receptors,$ the guanine nucleotide-binding regulatory protein, and the sarcolemmal $Ca^{2+}-ATPase.$ All these cellular alterations may be associated with changes in the intracellular $Ca^{2+}$ concentration. The most important regulator of intracellular $Ca^{2+}$ concentration is the sarcoplasmic reticulum (SR), which serves as a $Ca^{2+}$ sink during relaxation and as a $Ca^{2+}$ source during contraction. The $Ca^{2+}-ATPase$ and phospholamban are the most important proteins in the SR membrane for muscle relaxation. The dephosphorylated phospholamban inhibits the SR $Ca^{2+}-ATPase$ through a direct interaction, and phosphorylation of phospholamban relieves the inhibition. In the present study, quantitative changes of $Ca^{2+}-ATPase$ and phospholamban expression and the functional consequences of these changes in various thyroid states were investigated. The effects of thyroid hormones on (1) SR $Ca^{2+}$ uptake, (2) phosphorylation levels of phospholamban, (3) SR $Ca^{2+}-ATPase$ and phospholamban protein levels, (4) phospholamban mRNA levels were examined. Our findings indicate that hyperthyroidism is associated with increases in $Ca^{2+}-ATPase$ and decreases in phospholamban levels whereas opposite changes in these proteins occur in hypothyroidism.

• Tunnel and Underground Space
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• v.14 no.1
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• pp.1-15
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• 2004

The development of high-performance shotcrete lining is essential in improving the long-term durability of tunnels and in introducing single-shell tunnelling methods, where shotcrete as well as rockbolts are used as permanent support members. In this paper, new and advanced admixtures to improve shotcrete performance are introduced. In addition, requirements for mechanical properties as well as test items for quality control of shotcrete are summarized. A case study on the application of the pneumatic pin penetration test which can estimate compressive strength of shotcrete more easily and quickly is also illustrated. Previous studies to analyze the behaviors of shotcrete lining by considering its transient hardening and to carry out the sensitivity analysis of the design parameters of shotcrete lining are discussed to give fundamental concepts on rock-support interactions. Representative single-shell tunnelling methods where high-performance shotcrete lining is applied as a permanent support are also introduced.

• Journal of Korean Society of Steel Construction
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• v.15 no.5 s.66
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• pp.475-487
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• 2003

This study developed an analysis model of estimating fatigue damage using the linear elastic fracture mechanics method. Stress history occurring to an element when a truck passed over a bridge was defined as block loading and crack closure theory explaining load interaction effect was applied. Stress range frequency analysis considering dead load stress and crack opening was done. Probability of stress range frequency distribution was applied and the probability distribution parameters were estimated. The Monte Carlo simulation of generating the probability various of distribution was performed. The probability distribution of failure block numbers was obtained. With this the fatigue reliability of an element not occurring in failure could be calculated. The failure block number divided by average daily truck traffic remains the life of a day. Fatigue reliability analysis model was carried out for the welding member of cross beam flange and vertical stiffener of steel box bridge using the proposed model. Consequently, a 3.8% difference was observed between the remaining life in the peak analysis method and in the proposed analysis model. The proposed analysis model considered crack closure phase and crack retard.

• Journal of Internet Computing and Services
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• v.10 no.4
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• pp.55-70
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• 2009

Vision-based Human computer interaction is an emerging field of science and industry to provide natural way to communicate with human and computer. In that sense, inferring the emotional state of the person based on the facial expression recognition is an important issue. In this paper, we present a novel approach to recognize facial expression from a sequence of input images using emotional specific HMM (Hidden Markov Model) and facial motion tracking based on optical flow. Conventionally, in the HMM which consists of basic emotional states, it is considered natural that transitions between emotions are imposed to pass through neutral state. However, in this work we propose an enhanced transition framework model which consists of transitions between each emotional state without passing through neutral state in addition to a traditional transition model. For the localization of facial features from video sequence we exploit template matching and optical flow. The facial feature displacements traced by the optical flow are used for input parameters to HMM for facial expression recognition. From the experiment, we can prove that the proposed framework can effectively recognize the facial expression in real time.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.25 no.4
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• pp.600-609
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• 2001

WSGGM based low-resolution spectral model for calculating radiation transfer in combustion gases is applied to estimate self-absorption of radiation energy in one-dimensional opposed flow flames. Development of such a model is necessary in order to enable detailed chemistry-radiation interaction calculations including self-absorption. Database of band model parameters which can be applied to various one-dimensional opposed flow diffusion and partially premixed flames is created. For the validation of the model and database, low resolution spectral intensities at fuel exit side are calculated and compared with the results of a narrow band model with those based on the Curtis-Godson approximation. Good agreements have been found between them. The resulting radiation model is coupled to the OPPDIF code to calculate the self-absorption of radiant energy and compared with the results of an optically thin calculation and the results of a discrete ordinates method in conjunction with the statistical narrow band model. Significant self-absorption of radiation is found for the flames considered here particularly for the fuel side of the reacting zone. However, the self-absorption does not have significant effects on the flame structure in this case. Even in the case of the low velocity diffusion flame and the partially premixed flame of low equivalence ratio, the effects of self-absorption of radiation on the flame temperature and production of minor species are not significant.

• Applied Chemistry for Engineering
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• v.3 no.2
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• pp.312-317
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• 1992

The interaction of dioxouranium(VI) (uranyl) ion with nitrate ion has been studied by $^{17}O$ NMR spectroscopy. The $^{17}O$ resonance of uranyl oxygen atoms(uranyl oxygens hereafter) of $UO_2NO_3{^+}$ was at lower field than that of uranyl ion. The stability constants of $UO_2NO_3{^+}$ were obtained from the variation of $^{17}O$ chemical shifts with nitrate-ion concentration at 5, 15, 25, $35^{\circ}C$ and depend on the ionic strength. Thermodynamic parameters calculated from temperature dependence of the stability constants were as follows : ${\Delta}H=-(27.2{\pm}1.7)kJ\;mol^{-1}$ and ${\Delta}S=-(110{\pm}7)JK^{-1}mol^{-1}$. There was a linear relationship between the enthalpy and entropy for 1:1 complex formation of the uranyl ion with a variety of anionic ligands.

• Korean Journal of Materials Research
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• v.23 no.12
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• pp.695-701
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• 2013

To understand how reactivity between reinforcing nanoparticles and aqueous solution affects electrodeposited Cu thin films, two types of commercialized cerium oxide (ceria, $CeO_2$) nanoparticles were used with copper sulfate electrolyte to form in-situ nanocomposite films. During this process, we observed variation in colors and pH of the electrolyte depending on the manufacturer. Ceria aqueous solution and nickel sulfate ($NiSO_4$) aqueous solutions were also used for comparison. We checked several parameters which could be key factors contributing to the changes, such as the oxidation number of Cu, chemical impurities of ceria nanoparticles, and so on. Oxidation number was checked by salt formation by chemical reaction between $CuSO_4$ solution and sodium hydroxide (NaOH) solution. We observed that the color changed when $H_2SO_4$ was added to the $CuSO_4$ solution. The same effect was obtained when $H_2SO_4$ was mixed with ceria solution; the color of ceria solution changed from white to yellow. However, the color of $NiSO_4$ solution did not show any significant changes. We did observe slight changes in the pH of the solutions in this study. We did not obtain firm evidence to explain the changes observed in this study, but changes in the color of the electrolyte might be caused by interaction of Cu ion and the by-product of ceria. The mechanical properties of the films were examined by nanoindentation, and reaction between ceria and electrolyte presumably affect the mechanical properties of electrodeposited copper films. We also examined their crystal structures and optical properties by X-ray diffraction (XRD) and UV-Vis spectroscopy.

• Journal of Soil and Groundwater Environment
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• v.15 no.6
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• pp.9-16
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• 2010

Groundwater sampling was performed at 38 wells where they are located in the areas with high uranium and radon (marked as A and B, respectively) concentrations, which were based on the previous research results. In-situ parameters (temperature, pH, EC, Eh, DO) and natural radionuclides (uranium and radon) were analyzed to figure out the characteristics of groundwater environments. In-situ data did not show any relations to natural radionuclide data, which could be caused by groundwater mixing, depths of wells, and geological settings, etc. But the highest radon well presented relatively low temperature value and the highest uranium well presented relatively low pH values The highest uranium concentration ranging $1.14{\sim}188.19{\mu}g/L$ showed in the area of A region consisted of Jurassic two-mica granite. The areas of Jurassic biotite granite and Cretaceous granite in the A region have the uranium concentrations ranging $0.10{\sim}49.78{\mu}g/L$ and $0.36{\sim}3.01{\mu}g/L$, respectively. The uranium values from between wells of community water systems (CWSs) penetrating fractured bed-rock aquifers and personal boreholes settled in shallow aquifers near the wells of CWSs show big differences. It implies that the groundwaters of the two areas have evolved from different water-rock interaction paths that may caused by various types of wells having different aquifers. High radon activities in the area of B region composed of Precambrian gneiss showed ranging from 6,770 to 64,688 pCi/L. Even though the wells are located in the same geological settings, their rodon concentration presented different according to depth and distance.

• Analytical Science and Technology
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• v.18 no.4
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• pp.309-319
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• 2005

The adsorption characteristics of gaseous molecules on the carbonaceous adsorbent have been investigated at various temperature and pressure with different pore sizes using Grand Canonical Monte Carlo (GCMC) simulation method. The geometrical parameters and spectroscopic properties of adsorbates have been computed using density functional theory (DFT). At higher temperatures is the adsorption amount of adsorbates is decreased due to their vaporization. Considering the pore size effect, the adsorption characteristic depends on the adsorbate size, polarity and interaction between adsorbates, etc. At all cases employed in this study, the adsorption amount of adsorbates on the carbonaceous adsorbent is increased in the order $NH_3$ < $H_2S$ < $CH_3SH$, and this result is qualitatively in good agreement with the experimental observation.