• Proceedings of the Korean Biophysical Society Conference
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• 2003.06a
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• pp.74-74
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• 2003

We report here the results on N-acetyl-N'-methylamide of oxazolidine (Ac-Oxa-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level of theory with the 6-3l+G(d) basis set. The displacement of the $\square$-CH$_2$ group in proline ring by oxygen atom has affected the structure of proline, cis$\^$∼/ trans equilibrium, and rotational barrier. The up-puckered structure is found to be prevalent for the trans conformers of the Oxa amide. The higher cis populations of the Oxa amide can be interpreted due to the longer distance between the acetyl methyl group and the 5-methylene group of the ring for the trans conformer of the Oxa amide than that of the Pro amide. The changes in charge of the prolyl nitrogen and the decrease in electron overlap of the C$\^$∼/ N bond for TS structures seem to play a role in lowering rotational barriers of the Oxa amide compared to that of the Pro amide. The calculated preferences for cis conformers in the order of Oxa > Pro amides and for trans-to-cis rotational barriers in the order of Pro > Oxa amide in water are consistent with experimental results on Oxa-containing peptides. The pertinent distance between the prolyl nitrogen and the N$\^$∼/ H amide group to form a hydrogen bond might indicate that this intramolecular hydrogen bond could contribute in stabilizing the TS structures of Oxa and Pro amides and play a role in prolyl isomerization.

• Journal of Integrative Natural Science
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• v.7 no.4
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• pp.266-272
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• 2014

Oxocane high explosives substituted to explosive group such as azide (-CH2N3), nitrate (-CH2ONO2), and hydrazine (-CH2N2H3) are investigated theoretically the acid catalyzed reaction using the semiempirical MINDO/3, MNDO and AM1 methods to use as the guidelines of high explosives. The nucleophilicity and basicity of oxocane high explosives can be explained by the value of negative charge on oxygen atom of oxocane and the reactivity in propagation step can be represented by the value of positive charge on carbon atom and low electrophile LUMO energy. It was known that carbenium ion was favorable due to the stable energy (11.745~25.461 Kcal/mol) between oxonium ion and carbenium ion in the process of cyclic oxonium ion of oxocane high explosives being converted to open carbenium ion in oxocane high explosives. The value of concentration of cyclic oxonium ion and open carbenium ion in equilibrium status was found to be a major determinant of mechanism, it was expected to react faster in the prepolymer propagation step in SN1 mechanism than in that of SN2.

• Journal of the Korean Chemical Society
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• v.25 no.2
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• pp.92-96
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• 1981

The reactions of adsorbed oxygen species, $O_2^-$ and $O^-$, with propylene on ZnO were studied by EPR spectroscopy and temperature programmed desorption technique. Propylene interacts with adsorbed $O_2^-$ at $25^{\circ}C$ and the surface intermediate was decomposed to CO, $H_2$, $CO_2$ and $CH_4$ by raising the temperature above $200^{\circ}C$, while $O^-$ gave the products of complete oxidation, $CO_2$ and $H_2O$ above $300^{\circ}C$.

• Journal of the Korean Chemical Society
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• v.46 no.2
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• pp.117-124
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• 2002

Counterflow oxidation was developed and evaluated for treatment of organics that adsorbed in/on granular activated carbon(GAC). This reaction is a method that destructs and removes organics adsorbed, at the same time, regenerates waste carbon, uti lizing a self-sustained flame which propagates itself ina direction counter to the oxygen flow. The results showed that the mass loss of carbon and flam temperature were strongly dependent on the flow rate of oxyen, adsorptive capability of regenerated carbon completely was recovered, as well as destrution and removal efficiency of thermally stable PCBs was achieved with the value of better than 99.99%.

• Journal of the Korean Ceramic Society
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• v.53 no.6
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• pp.610-614
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• 2016

Tyranno SA (SiC-polycrystalline fiber, Ube Industries Ltd.) shows excellent heat-resistance up to $2000^{\circ}C$ with relatively high mechanical strength. This fiber is produced by the conversion process from a raw material (amorphous Si-Al-C-O fiber) into SiC-polycrystalline fiber at very high temperatures over $1500^{\circ}C$ in argon. In this conversion process, the degradation reaction of the amorphous Si-Al-C-O fiber accompanied by a release of CO gas for obtaining a stoichiometric composition and the subsequent sintering of the degraded fiber proceed. Furthermore, vaporization of gaseous SiO, phase transformation and active diffusion of the components of the Si-Al-C-O fiber competitively occur. Of these changes, vaporization of the gaseous SiO during the conversion process results in an abnormal SiC-grain growth and also leads to the non-stoichiometric composition. However, using a modified Si-Al-C-O fiber with an oxygen-rich surface, vaporization of the gaseous SiO was effectively prevented, and then consequently a nearly stoichiometric SiC composition could be obtained.

• Transactions of the Korean hydrogen and new energy society
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• v.22 no.5
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• pp.721-727
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• 2011

All vanadium redox-flow battery (VRFB) has been studied actively as one of the most promising electrochemical energy storage systems for a wide rage of applications such as electric vehicles, photovoltaic arrays, and excess power generated by electric power plants at night time. In this study, carbon felt electrodes were treated by electrochemical oxidation with KOH, and the cyclic voltammetry were studied in order to investigate redox reactivity of vanadium ion species with carbon felt electrodes. Besides the effect of electrochemical oxidation on the surface chemistry of carbon felt electrodes were investigated using the X-ray photoelectron spectroscopy (XPS). After electrochemical oxidation, XPS analysis of PAN based GF20-3 carbon felt electrode revealed on increase in the overall surface oxygen content of the carbon felts after electrochemical oxidation. Redox reaction characteristics using cyclic voltammetry (CV) were ascertained that the electrochemical treated electrode were more reversible than the untreated electrode.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.22 no.1
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• pp.41-46
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• 2009

The low dielectric SiOCH films were deposited on p-type Si(100) substrates through the dissociation of BTMSM $(((CH_3)_3Si)_2CH_2)$ precursors with oxygen gas by using PECVD method. BTMSM precursor was introduced with the flow rates from 42 to 60 sccm by 2 sccm step into reaction chamber but with the constant flow rate of 60 sccm $O_2$. SiOCH thin films were annealed at $450^{\circ}C$ for 30 minutes. The electrical property of SiOCH thin films was studied by MIS, Al/SiOCH/p-Si(100), structure. Annealed samples showed large reduction of the maximum capacitance yielding low dielectric constant owing to reductions of surface charge density. After exposure at room temperature and atmospheric pressure, dielectric constant of SiOCH films was totally increased. However, annealed SiOCH thin films were more stable than as-deposited SiOCH thin films for natural oxidation.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1998.06a
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• pp.351-354
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• 1998

The formation of the $YBa_2Cu_30_{7_\delta}$(Y123) thick films has been investigated by a surface diffusion Imcess between $3BaCu0_2$+2CuO composite coating powder and a $Y_2BaCuO_5$(Y211). This reaction has been studied in the temperature of $930^{\circ}C$ and $940^{\circ}C$ for 2h to 10h in an oxygen atmosphere. The Y211 substrates becomes covered by co-precipitation of Y123 grains and CuO inclusions. X-ray diflractotnctn. revealed that the lager consisted of an orthorhombic crystal structure. The maximum Jc of $400A/\textrm{cm}^2$ is abtained when the specimen was heat-treated at $930^{\circ}C$ for 6h on the Y211 substrate.

• Biotechnology and Bioprocess Engineering:BBE
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• v.8 no.3
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• pp.199-204
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• 2003

Among 59 Korean isolated, 20 were confirmed as members of the genus Bifidobaferium species based on gram staining, microscopic examination of cell morphology and the TLC method, The oxygen tolerance and antioxidative activities of these 20 Bifidobacterium strains and 5 standard Bifidobaferium strains were tested. All the strains demonstrated antioxidative activities as regards inhibiting linoleic acid peroxidation. The antioxidative activities of isolated and standard strains were found to range from 10.7-46.4% and from 10.7-22.2%, respectively. In addition, all tested strains exhibited a Scavenging ability on DPPH free radicals, range from 15-41% for the isolated strains and 8.3-22% for the standard strain. Accordingly. the isolated Bifidobarterium strains demonstrated higher antioxidative artivities than the 5 standa rd Bifidobarterium strains. On the base of grades for each test, HJL 7511 was identified 35 the best strain, followed by HJL 7501. 2 strains were identified with Polymerase Chain Reaction (PCR) assay using group-specific primers designed from the nucleotide Sequences of the 16S rRNA and internal transcribed spacer (ITS) regions of the Bifidobacteria. Based on the Sequencing results, HJL 7511 and HJL 7501 were identified as Bifidobacterium infantis.

• Proceedings of the KSME Conference
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• 2008.11b
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• pp.2822-2827
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• 2008

Among the main components of PEM fuel cell, the functions of GDL are to transport reactants from the channel to the catalyst and remove reaction products from the catalyst and transport heat from the catalyst to the channels in the flow filed plate. Permeability of GDL is known to make it possible to enhance the gas transport through GDL, devoting to get better performance. In this paper, three dimensional numerical simulation of the fuel cell by the permeability of GDL is presented by using a FLUENT modified to include the electrochemical behavior. Results show that as permeability is higher than $10^{-12}m^2$, gradients of temperature distribution, oxygen molar concentration and current density distribution in MEA were decreased. Although heat generation was increased as high permeability, MEA's temperature was lower than the low permeability of GDL. This seems because that convection was higher affects in mass and heat transfer process than diffusion as permeability of GDL is increases.