• Bulletin of the Korean Chemical Society
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• v.15 no.3
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• pp.221-227
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• 1994

The barrier heights of the internal rotations for ethyl halides calculated by ab initio methods differ from those of experiments by more than 0.2 kcal/mol. The use of basis sets larger than the $6-31G^{\ast}$ set and the inclusion of correlation do not improve the agreement between the calculated and experimental values. The zero-point vibration corrections are substantial in the HF calculations with $6-31G^{\ast}$ basis sets, but become negligible in the MP2 calculations with $6-311G^{{\ast}{\ast}}$ basis sets for $C_2H_5F\;and\;C_2H_5Cl$. It is shown that the rigid rotor approximation and the assumed shape of the potential curve as a cos2${\theta}$ curve could also be the sources of discrepancies between calculated and experimental values. Higher order perturbation corrections narrow the gap between experimental and theoretical values, but there still remains about 10% overestimate of 0.3 kcal/mol. Optimized geometries from the HF and MP2 calculations are in good agreement with those from experiments. Dipole moments calculated from the MP2 densities show slightly better agreement with experiments than those from the HF densities.

• Natural Product Sciences
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• v.27 no.4
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• pp.300-306
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• 2021

Chronic ultraviolet (UV) radiation causes photoaging, which represents skin damage, disrupts skin barrier function, and promotes wrinkle formation. We investigated that the polysaccharide extract of an edible basidiomycetous white jelly mushroom, Tremella fuciformis, (TF-Glucan^®) exhibited statistically photoprotective activity by inhibiting matrix metalloproteases (MMPs) and increasing collagen synthesis, and an anti-inflammatory activity by inhibiting nitric oxide and pro-inflammatory cytokines at the concentrations of less than 1000 ㎍/ml, which is not cytotoxic (p < 0.05). Additionally, TF-Glucan^® increased the expression of involucrin and filaggrin to prevent the disruption of UVB-induced barrier function (p < 0.05). TF-Glucan^® was assessed as a safe material by the human primary skin irritation (1, 3, 5%), human repeated insult patch test (no sensitization at 5%), 3T3 NRU phototoxicity assay (no phototoxicity, PIF < 2, MPE < 0.1), eye irritation test test by BCOP (no category, IVIS ≤ 3) and local lymph node assay (negative at 10, 25, 50%) for identifying potential skin sensitizing. These results suggest that TF-Glucan^® may be useful as an anti-photoaging ingredient for developing cosmeceuticals.

• Nuclear Engineering and Technology
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• v.54 no.4
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• pp.1161-1166
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• 2022

Green pitch coke with an average particle size of 2 mm was adopted as densifier and added to the raw materials of conventional A3-3 matrix graphite (MG) to prepare modified A3-3 matrix graphite (MMG) by the quasi-isostatic molding method. The structure, mechanical and thermal properties were assessed. Compared with MG, MMG had a more compact structure, and exhibited improved properties of higher mechanical strength, higher thermal conductivity and better molten salt barrier performance. Notably, under the same infiltration pressure of 5 atm, the fluoride salt occupation of MMG was only 0.26 wt%, whereas it was 15.82 wt% for MG. The densification effect of green pitch coke endowed MMG with improved properties for potential use in the spherical fuel elements of molten salt reactor.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.20 no.3
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• pp.269-278
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• 2022

The buffer is a critical barrier component in an engineered barrier system, and its purpose is to prevent potential radionuclides from leaking out from a damaged canister by filling the void in the repository. No experimental parameters exist that can describe the buffer expansion phenomenon when Kyeongju bentonite, which is a buffer candidate material available in Korea, is exposed to groundwater. As conventional experiments to determine these parameters are time consuming and complicated, simple swelling pressure tests, numerical modeling, and machine learning are used in this study to obtain the parameters required to establish a numerical model that can simulate swelling. Swelling tests conducted using Kyeongju bentonite are emulated using the COMSOL Multiphysics numerical analysis tool. Relationships between the swelling phenomenon and mechanical parameters are determined via an artificial neural network. Subsequently, by inputting the swelling tests results into the network, the values for the mechanical parameters of Kyeongju bentonite are obtained. Sensitivity analysis is performed to identify the influential parameters. Results of the numerical analysis based on the identified mechanical parameters are consistent with the experimental values.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.37 no.4
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• pp.347-357
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• 2024

Oxide semiconductor gas sensors are widely used for detecting toxic, explosive, and flammable gases due to their simple structure, cost-effectiveness, and potential integration into compact devices. However, their reliable gas detection is hindered by a longstanding issue known as humidity dependence, wherein the sensor resistance and gas response change significantly in the presence of moisture. This problem has persisted since the inception of oxide semiconductor gas sensors in the 1960s. This paper explores the root causes of humidity dependence in oxide semiconductor gas sensors and presents strategies to address this challenge. Mitigation strategies include functionalizing the gas-sensing material with noble metal/transition metal oxides and rare-earth/rare-earth oxides, as well as implementing a moisture barrier layer to prevent moisture diffusion into the gas-sensing film. Developing oxide semiconductor gas sensors immune to humidity dependence is expected to yield substantial socioeconomic benefits by enabling medical diagnosis, food quality assessment, environmental monitoring, and sensor network establishment.

• Nuclear Engineering and Technology
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• v.55 no.11
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• pp.4173-4180
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• 2023

The stability of engineered barriers in high-level radioactive waste disposal systems can be influenced by the decay heat generated by the waste. This study focuses on the thermal analysis of various canister designs to effectively lower the maximum temperature of the engineered barrier. A numerical model was developed and employed to investigate the heat dissipation potential of copper rings placed across the buffer. Various canister designs incorporating copper rings were presented, and numerical analysis was performed to identify the design with the most significant temperature reduction effect. The results confirmed that the temperature of the buffer material was effectively lowered with an increase in the number of copper rings penetrating the buffer. Parametric studies were also conducted to analyze the impact of technical gaps, copper thickness, and collar height on the temperature reduction. The numerical model revealed that the presence of gaps between the components of the engineered barrier significantly increased the buffer temperature. Furthermore, the reduction in buffer temperature varied depending on the location of the gap and collar. The methods proposed in this study for reducing the buffer temperature hold promise for contributing to cost reduction in radioactive waste disposal.

• Maxillofacial Plastic and Reconstructive Surgery
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• v.20 no.2
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• pp.112-126
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• 1998

In dentistry, bony defects can be formed by cyst, tumor, inflammation, trauma and surgery in maxilla and mandible. If the overlying soft tissue invades and preoccupies the jaw bony defects, regenerated bony tissue same as adjacent bone can not replace whole space of the defects, thus preventing osteogenesis from occurring. Guided bone regeneration(GBR) is based on the prevention of overlying soft tissue from entering the bony defect during the initial healing periods. E-polytetrafluoroethylene(e-PTFE) is one of an effective and widely used barrier membrane for GBR, but it has the disadvantages such as surgical removal and high price. To overcome such disadvantages of e-PTFE, many investigators have proposed various absorbable barrier membranes. Inexpensive oxidized cellulose($Surgicel^{(R)}$) membrane was shown to have potential for use as an absorbable barrier membrane for regenerative procedure and it would not require surgical removal. The purpose of this study is to investigate the absorption periods of oxidized cellulose at the implant site and usefulness as a mechanical barrier, preventing the ingrowth of the overlying soft tissue into the bony defects. Two bony defects were made in each tibia of a dog using drill and one defect covered with oxidized cellulose and the other covered with periosteum directly as control. The experimental animals were sacrificed at 1st-7th, 10th, 14th, 21th, 28th day postoperatively, Inspection of the specimens was done to evaluate gross changes. Specimens were examined histopathologically by hematoxylin-eosin and Masson's trichrome staining under light microscope. The results were as follows : 1. There was no significant differences of inflammatory reaction between the experimental and the control group. 2. The resorption of oxidized cellulose was almost completed within 14th day. 3. Histologically, bone formation in the experimental group was somewhat more than that of the control group at 10th, 14th, 21th and 28th day postoperatively. The bone forming pattern of the experimental group was more regular than that of the control group. 4. There was no evidence of soft tissue invasion into the bony defect in the experimental group. In conclusion, oxidized cellulose membrane might be used as an alternative absorbable barrier membrane to prevent overlying soft tissue invasion into the bony defects.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.06a
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• pp.133-133
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• 2008

Recently, as the down-scailing of field-effect transistor devices continues, Schottky-barrier field-effect transistors (SB-FETs) have attracted much attention as an alternative to conventional MOSFETs. SB-FETs have advantages over conventional devices, such as low parasitic source/drain resistance due to their metallic characteristics, low temperature processing for source/drain formation and physical scalability to the sub-10nm regime. The good scalability of SB-FETs is due to their metallic characteristics of source/drain, which leads to the low resistance and the atomically abrupt junctions at metal (silicide)-silicon interface. Nevertheless, some reports show that SB-FETs suffer from short channel effect (SCE) that would cause severe problems in the sub 20nm regime.[Ouyang et al. IEEE Trans. Electron Devices 53, 8, 1732 (2007)] Because source/drain barriers induce a depletion region, it is possible that the barriers are overlapped in short channel SB-FETs. In order to analyze the SCE of SB-FETs, we carried out systematic studies on the Schottky barrier overlapping in short channel SB-FETs using a SILVACO ATLAS numerical simulator. We have investigated the variation of surface channel band profiles depending on the doping, barrier height and the effective channel length using 2D simulation. Because the source/drain depletion regions start to be overlapped each other in the condition of the $L_{ch}$~80nm with $N_D{\sim}1\times10^{18}cm^{-3}$ and $\phi_{Bn}$ $\approx$ 0.6eV, the band profile varies as the decrease of effective channel length $L_{ch}$. With the $L_{ch}$~80nm as a starting point, the built-in potential of source/drain schottky contacts gradually decreases as the decrease of $L_{ch}$, then the conduction and valence band edges are consequently flattened at $L_{ch}$~5nm. These results may allow us to understand the performance related interdependent parameters in nanoscale SB-FETs such as channel length, the barrier height and channel doping.

• Food Science of Animal Resources
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• v.31 no.5
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• pp.631-640
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• 2011

Milk oligosaccharides are the complex mixture of six monosaccharides namely, D-glucose, D-galactose, N-acetyl-glucosamine, N-acetyl-galactosamine, L-fucose, and N-acetyl-neuraminic acid. The mixture is categorized as neutral and acidic classes. Previously, 25 oligosaccharides in bovine milk and 115 oligosaccharides in human milk have been characterized. Because human intestine lacks the enzyme to hydrolyze the oligosaccharide structures, these substances can reach the colon without degradation and are known to have many health beneficial functions. It has been shown that this fraction of carbohydrate can increase the bifidobacterial population in the intestine and colon, resulting in a significant reduction of pathogenic bacteria. The role of milk oligosaccharides as a barrier against pathogens binding to the cell surface has recently been demonstrated. Milk oligosaccharides have the potential to produce immuno-modulation effects. It is also well known that oligosaccharides in milk have a significant influence on intestinal mineral absorption and in the formation of the brain and central nervous system. Due to its structural resemblance, bovine milk is considered to be the most potential source of oligosaccharides to produce the same effect of oligosaccharides present in human milk. This review describes the characteristics and potential health benefits of milk oligosaccharides as well as the prospects of oligosaccharides in bovine milk for use in functional foods.

• Bulletin of the Korean Chemical Society
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• v.27 no.1
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• pp.39-43
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• 2006

The relaxed torsional potential of a liquid crystalline polymer containing an ester functional group in a mesogenic unit (hereafter 12-4 oligomer) has been calculated with the ab initio self-consistent-field using 6-31G$^*$ basis set. GIAO^{13}C NMR chemical shifts also have been calculated at the B3LYP/6-31G$^*$ level of theory for each conformational structure obtained from torsional potential calculation. The results show that the phenyl ring-ester linkages are coplanar with the dihedral angle of about 0$^{\circ}$ and the ring-ring linkages in the biphenyl groups are tilted with the dihedral angle of around 43-44$^{\circ}$ in the lowest energy conformer. The biphenyl ring has a comparatively lower energy barrier of internal rotation potential in the ring-ring than that of phenyl ring-ester. The ^{13}C chemical shifts of carbonyl carbons were found to move to upfield due to $\pi$ -conjugation with phenyl ring and slightly affected about 0.5 ppm by dihedral angle of the ring-ring linkage.