• Journal of the Korean Chemical Society
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• v.67 no.2
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• pp.81-88
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• 2023

The contribution of hydrophobic residues to the protein folding reaction was studied by using HubWA variant proteins with I and L to V mutation. Folding kinetics of all V variant proteins was observed to be satisfied by a three-state on-pathway mechanism, U ⇌ I ⇌ N, where U, I, and N represent unfolded, intermediate, and native state, respectively. Three-state folding reaction was quantitatively analyzed and the free energy of folding of each elementary reactions and overall folding reaction, ΔG^o_UI, ΔG^o_IN, and ΔG^o_UN, were obtained. From the ratio of free energy difference between the variant protein and HubWA, ΔΔG^o_UI/ΔΔG^o_UN (ΔΔG^o_UI = ΔG^o_UI (variant protein) - ΔG^o_UI (HubWA) and ΔΔG^o_UN = ΔG^o_UN (variant protein) - ΔG^o_UN(HubWA)), the contribution of hydrophobic residues to HubWA folding was analyzed. The residues which are located in the hydrophobic core between α-helix and β-sheet, I3, I13, L15, I30, L43, I61 and L67, showed ΔΔG^o_UI/ΔΔG^o_UN value of ~0.5 when each of these residues was mutated to V, indicating that these residues form relatively solid hydrophobic core in the intermediate state. Residues located at the end of secondary structures and loop, I23, L69 and I36 showed ΔΔG^o_UI/ΔΔG^o_UN value below 0.4 when each of these residues was mutated to V, indicating that the region containing these residues are loosely formed in the intermediate state. V17A, L50V and L56V showed fairly high ΔΔG^o_UI/ΔΔG^o_UN value of ~0.8. Since L50 and L56 are located in the region containing long loop (residue 46 to 62), it is suggested that the high ΔΔG^o_UI/ΔΔG^o_UN value of these residues prevents the formation of aggregate at the early stage of folding reaction.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.981-987
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• 2011

The anomalous spectroscopic properties of quercetin-3-O-rhamnoside (QCRM) and quercetin-3-O-rutinoside (QCRT) in AOT reverse micelle were studied. The excited state intramolecular proton transfer (ESIPT) occurs through the strong hydrogen bond between the -OH at position 5 and the carbonyl oxygen. Because the ESIPT can only happens in the $S_1$ state and the Franck-Condon factor involved in the $S_2\;{\rightarrow}\;S_1$ internal conversion is small, the $S_2\;{\rightarrow}\;S_o$ emission alone appears. Because the molecular planarity is improved at the interior of the micelle, the excited state intramolecular charge transfer in the $S_1$ state is extended, and the excited state is more tolerable for any quenching effects in the micelle. Therefore, an $S_1\;{\rightarrow}\;S_o$ emission was newly discovered under this micelle microenvironment. For the $S_2\;{\rightarrow}\;S_o$ emission, the quantum yields increase but the quantum yield of the $S_1\;{\rightarrow}\;S_o$ emission approximately decreases as the water concentration in the micelle increases.

• Proceedings of the KSME Conference
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• 2004.04a
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• pp.967-972
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• 2004

The role of transfer films formed during sliding of polymer composites against steel counterfaces was studied in terms of the tribological behaviors of composites. Four kinds of composites were included in this study: (1) unfilled PPS, (2) PPS+2%CuO, (3) PPS+2%CuO+5% carbon fiber (CF), and (4) PPS+2%CuO+15%Kevlar. The filler material CuO was in nanoscale particulate form and the reinforcing material was in the form of short fibers. The composites were prepared by compression molding at $310^{\circ}C$ and sliding tests were run in the pin-on-disk sliding configuration. The counterface was made of tool steel hardened to 55-60 HRC and finished to a surface roughness of 0.09-0.10 ${\mu}m$ Ra. Wear tests were run for 6 hrs at the sliding speed of 1 m/s and contact pressure of 0.65 MPa. Transfer films formed on the counterfaces during sliding were investigated using AFM and SEM. The results showed that as the transfer film became smooth and uniform, wear rate decreased. PPS+2%CuO+15%Kevlar composite showed the lowest steady state wear rate in this study and its transfer film showed the smoothest and the most uniform characteristics. The examination of worn surfaces of PPS+2%CuO composite using X-ray area scanning (dot mapping) showed back-transfer of steel counterface material to the polymer pin surface. This behavior is believed to strengthen the polymer pin surface during sliding thereby contributing to the decrease in wear rate.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.26 no.5
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• pp.181-187
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• 2016

In this study, new composition of orange color pigment was developed by replacing formerly used lead and chromium with environment-friendly elements. $TiO_2-SnO-ZnO$ composite was synthesized using the solid state reaction under the reducing atmosphere with the LPG and air mixture gas. The synthesized pigments were characterized by spectrophotometer, X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and X-ray Photoelectron Spectroscopy (XPS). The colorimetric analysis of pigments exhibited color values ranging from yellow to orange-red. Five different crystalline phases were formed after the heat treatment for 4 and 6 hours. The color of pigments was strongly influenced by the crystalline structure of $SnO_2$, having either cubic or tetragonal structure. The oxidation state study of elements revealed that the color of pigment is getting close to rYR with the increase of $Sn^{4+}$ ratio.

• Nuclear Engineering and Technology
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• v.52 no.11
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• pp.2613-2619
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• 2020

This work investigated the gamma-ray shielding performance, and the physical and mechanical properties of poly (methyl methacrylate) (PMMA) composites embedded with 0-44.0 wt% bismuth trioxide (Bi₂O₃) fabricated by the fast ultraviolet (UV) curing method. The results showed that the addition of Bi₂O₃ had significantly improved the gamma shielding ability of PMMA composites. Mass attenuation coefficient and half-value layer were examined using five gamma sources (Cs-137, Ba-133, Cd-109, Co-57, and Co-60). The high loading of Bi₂O₃ in the PMMA samples improved the micro-hardness to nearly seven times that of the pure PMMA. With these enhancements, it was demonstrated that PMMA/Bi₂O₃ composites are promising gamma shielding materials. Furthermore, the fast UV curing exerts its great potential in significantly shortening the production cycle of shielding material to enable rapid manufacturing.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2005.07a
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• pp.172-173
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• 2005

The electronic state of ZnO doped with Y was calculated using the density functional theory. In this study, the program used for the calculation on theoretical structures of ZnO and doped ZnO was Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The detail of electronic structure was obtained by the descrite variational $X\alpha$ (DV-$X\alpha$) method, which is a sort of molecular orbital full potential method. The optimized crystal structures obtained by calculations were compared to the measured structure. The density of state and energy levels of dopant elements was shown and discussed in association with optical properties.

• Journal of Powder Materials
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• v.9 no.1
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• pp.25-31
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• 2002

The efects of mechanical aloying conditions and the type of reducing agent on the solid state reductionof haematite $Fe_2O_3$ have been investigated at room temperature. Aluminium titanium zinc and copper were used as reducing agent. Nanocomposites of metal-oxide in which oxide particles with nano size were dispersed in Fe matrix were obtained by mechanical alloying of $Fe_2O_3$ with aluminium and titanium respectively However the reduction of $Fe_2O_3$ by coppe was not occurred Composite materials of iron with $Al_2O_3$ and $TiO_2$ were obtained from the system of $Fe_2O_3-Al$ and $Fe_2O_3-Ti$ after ball milling for 20 hrs and 30 hrs respectively. And the system of $Fe_2O_3-Zn$ resulted in the formationof FeO with ZnO after ball milling of 120 hrs. The final grain sizes of iron estimated by X-ray diffraction line-width measurement were in the ranges of 24~33 nm.

• Journal of Powder Materials
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• v.19 no.4
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• pp.310-316
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• 2012

Nanocrystalline $BaTiO_3$ powder could be synthesized by solid-state reaction using the mixture which was prepared by a high energy milling process in a bead mill for $BaCO_3$ and nanocrystalline $TiO_2$ powders mixture. Effect of the milling time on the powder characteristic of the synthesized $BaTiO_3$ powder was investigated. Nanocrystalline $BaTiO_3$ with a particle size of 50 nm was obtained at $800^{\circ}C$. High tetragonal $BaTiO_3$ powder with a tetragonality(=c/a) of 1.009 and a specific surface area of $7.6m^2/g$ was acquired after heat-treatment at $950^{\circ}C$ for 2 h. High energy ball milling was effective in decreasing the reaction temperature and increasing the tetragonality.

• Journal of the Korean Ceramic Society
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• v.46 no.2
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• pp.170-174
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• 2009

$BaTiO_3$ powder was synthesized by the solid-state reaction of fine $BaTiO_3$ and $TiO_2$ raw materials. Fine grinding media of 50 and 300 microns were used for obtaining fine particulate mixture of $BaTiO_3$ and $TiO_2$ with high homogeneity. Effect of the size of grinding media on the synthesis mechanism of $BaTiO_3$ was discussed on the basis of the particulate morphology and thermogravimetry data for the mixture powders. By using the finer grinding media, $BaTiO_3$ was formed at the lower temperature and the particle size with the relatively narrower distribution could be obtained. $BaTiO_3$ powder with the average size of 100 nm was synthesized by the solid reaction in vacuum atmosphere.

• Journal of the Korean Ceramic Society
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• v.36 no.11
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• pp.1211-1216
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• 1999

TiO2 thin films were prepared by reactive magnetron sputtering on glass substrate and subjected into investigation about their hydrophilic properties. Varing Ar/O2 ration and post annealing at 50$0^{\circ}C$ for 12h anatase and rutile phases of TiO2 films were obtained. Hydrophilic properties were evaluated by determination of contact angle of water droplet on TiO2 surface. On as-annealed TiO2 films water droplet spreaded widely with ~0$^{\circ}$contact angle. Sonication(60 Hz, 28kHz 40kHz) and following dark room treatments turned these hydrophilic TiO2 films into hydrophobic state. All of hydrophobic films were converted recersibly into their original state after UV illumination. Hydrophobic states of anatase films were saturated after sonication and remain same during dark room treatment. But it was found that the conversion into hydrophobic state of rutile films progressed. further after sonication. Therefore it was concluded that Ti3+/Ti+4 ratio is the key to determine hydrophilicity of TiO2 surface so that different surface structure of polymorphs could lead to unique characteristics.