• Bulletin of the Korean Chemical Society
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• v.16 no.2
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• pp.112-120
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• 1995

The conformational study on malonic acid, hydrogen malonate, malonate, malonyl methyl sulfide, and malonyl methyl sulfide anion, as the model compounds of malonyl-CoA, was carried out using the semiempirical MO methods (MNDO, AM1, and PM3) and hydration shell model. On the whole, the feasible conformations of malonic acid, hydrogen malonate, and malonate seem to be similar to each other. In malonic acid and malonate, two carboxyl groups are nearly perpendicular to the plane of the carbon skeleton, despite of different orientation of two carboxyl groups themselves. In particular, two carboxyl groups of hydrogen malonate are on the plane formed by carbon atoms with an intramolecular hydrogen bond. The calculated results on the geometry and conformation of three compounds are reasonably consistent with those of X-ray and spectroscopic experiments as well as the previous calculations. The orientation of two carbonyl groups of malonyl methyl sulfide is quite similar to that of malonic acid, but different from that of its anion. Especially, the computed probable conformations of the sulfide anion by the three methods are different from each other. The role of hydration seems not to be crucial in stabilizing the overall conformations of malonic acid, hydrogen malonate, malonate, and malonyl methyl sulfide. However, the probable conformations of the unhydrated sulfide anion obtained by the MNDO and AM1 methods become less stabilized by including hydration. The AM1 method seems to be appropriate for conformational study of malonyl-CoA and its model compounds because it does not result in the formation of too strong hydrogen bonds and significant change in conformational energy from one compound to another.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 1994.10a
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• pp.160-166
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• 1994

In general, the problems of strengthening and repairing of deteriorated or damaged reinforced concrete members are usually worked out in situ by externally bounding steel plates using epoxy resins, which has been recognized to be one of effective and convenient methods. But the disadvantages of strengthening/repairing concrete members with externally bonded steel plates include ; (a) deterioration of the bond at the steel-concrete interface caused by the corrosion of steel ; (b) difficulty in manipulating the plate at the construction site ; (c) improper formation of joints, due to the limited delivery lengths of the steel plates ; and etc. Therefore these difficulties eventually have led to the concept of replacing the steel plates by fiber-reinforced composite sheets which are characterized by their light weight, extremely high stiffness, excellent fatigue properties, and outstanding corrosion resistance. In the paper, for the reliability assessment of reinforced concrete beams externally strengthened by carbon fiber plastic(CFRP) laminates, an attempt is made to suggest a limit state model based on the strain compatibility method and the concept of fracture mechanics. And the reliability of the proposed models is evaluated by using the AFOSM method. The load carrying capacity of the deteriorated and/or damaged RC beams is considerably increased. Thus, it may be stated that the post-strengthening of concrete beams with externally bonded CFRP materials may be one of very effective way of increasing the load carrying capacity and stiffeness characteristics of existing structures.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2003.07a
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• pp.203-207
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• 2003

Ion implantation has been shown to significantly alter the surface properties of polymers. Polycarbonate(PC) and Polyimide(PI) were irradiated with 50keV $N^+$, $Xe^+$ ions to the fluences of $1{\times}10^{16}{\sim}3{\times}10^{17}\;cm^2$. The ion beam-induced modification of the electrical conductivity and the related structural features have been studied for polymers. The beam-induced chemical and structural modifications have been investigated by using X-ray Phooelectron Spectroscopy(XPS) and Fourier Transform-Infrared Spectroscopy(FT-IR), while the modification of the electrical properties was followed by performing a complete set of sheet resistance measurements. Samples irradiated at higher fluence showed a good conductivity, with a saturation value of $10^7{\Omega}/sq$. The XPS data demonstrate that the modification of the electrical properties is due to the progressive formation with increasing ion fluence of a dense amorphous carbon network, while PF-IR data reveal that material degradations through bond breaking are the main effects.

• Journal of the Korean Chemical Society
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• v.16 no.6
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• pp.334-340
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• 1972

CNDO/2 calculations have been carried out on methyl chloro-thiol-, methyl chloro-thiono-, and methyl chloro-dithio-formates. Results show that the trans is the stable configuration for these compounds. It was found that sulfur atom has much less tendency to use its lone pair electrons for ${\pi}$ bond formation compared with oxygen, and that thiolformates are stabilized by hyperconjugation of methyl hydrogens. The order of solvolytic reactivity was found to follow the order of cation stability, which is consistent with the $S_N1$ mechanism proposed for these compounds.

• Journal of the Korean Ceramic Society
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• v.44 no.7
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• pp.393-402
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• 2007

Polyaluminocarbosilane was synthesized by direct reaction of polydimethylsilane with aluminum(III)-acetylacetonate in the presence of zeolite catalyst. A fraction of higher molecular weight polycarbosilane was formed due to the binding of aluminium acetylacetonate radicals with the polycarbosilane backbone. Small amount of Si-O-Si bond was observed in the as-prepared polyaluminocarbosilane as the result. Polyaluminocarbosilane fiber was obtained through a melt spinning and was pyrolyzed and sintered into SiC fiber from $1200{\sim}2000^{\circ}C$ under a controlled atmosphere. The nucleation and growth of ${\beta}-SiC$ grains between $1400{\sim}1600^{\circ}C$ are accompanied with nano pores formation and residual carbon generation. Above $1800^{\circ}C$, SiC fiber could be sintered to give a fully crystallized ${\beta}-SiC$ with some ${\alpha}-SiC$.

• Journal of Environmental Science International
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• v.8 no.3
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• pp.337-347
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• 1999

This study was carried out to evaluate the characteristics of dissolved organics based on their origins, which were divided into two categories. The first group consisted of river, lake and secondary sewage treatment effluent, which were chosen as representative of their origins. The second group were artificial samples which were made of AHA(Aldrich humic acids) and WHA(Wako humic acids). Physicochemical characteristics, biological degradability and THMEP(trihalomethane formation potential) of the samples were analysed based on the AMWD(apparent molecular weight distribution). Large portion of dissolved organic carbon(DOC) in the river and lake samples was comprised of LMW(low molecular weight), which that of AHA and WHA was HMW(high molecular weight). The DOC of the lake was evenly distributed in the all range of molecular weight. The river, lake and secondary treated effluent have lower ultraviolet(UV) absorbance at 254nm, and have a higher amount of humic acids. Higher absorbance of humic acids means that aliphatic bond and benzenoid type components that absorb UV light were contained in these kind of humic acids. It was expected that lake sample was the most biodegradable in the different samples investigated, and in order of secondary sewage treatment effluent, river, WHA and AHA based on the result of determination of specific ultraviolet absorbance(SUVA). Biodegradability showed similar result except for AHA, while dissolved organics in the range of LMW decreased during the biodegradability test, and on the contrary those of HMW increased. Production of the SMPs(soluble micobial products) was observed during humicfication of dissolved organics and the SMPs were higher production of the SMPs. THM formation was high in the samples containing HMW and similar tendency was shown in the THMEP(trihalomethane formation potential), except for WHA.

• Clean Technology
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• v.26 no.4
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• pp.286-292
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• 2020

This study confirmed the effect of the Cu/CeO2-X catalyst on the CO oxidation activity at low temperature through the catalyst's structure and reaction characteristics. The catalyst was prepared by the wet impregnation method. Cu/CeO2_X catalysts were manufactured by loading Cu (active metal) using CeO2 (support) formed at different calcination temperatures (300-600 ℃). Manufactured Cu/CeO2_X catalysts were evaluated for the low-temperature activity of carbon monoxide. The Cu/CeO2_300 catalyst showed an activity of 90% at 125 ℃, but the activity gradually decreased as the calcination temperature of the CeO2-X and Cu/CeO2_600 catalysts showed an activity of 65% at 125 ℃. Raman, XRD, H2-TPR, and XPS analysis confirmed the physicochemical properties of the catalysts. Based on the XPS analysis, the lower the calcination temperature of the CeO2 was, the higher the unstable Ce3+ species (non-stoichiometric species) ratio became. The increased Ce3+ species formed a solid solution bond between Cu and CeO2-X, and it was confirmed by the change of the CeO2 peak in Raman analysis and the reduction peak of the solid solution structure in H2-TPR analysis. According to the result, the formation of the solid solution bond between Cu and Ce has been enhanced by the redox properties of the catalysts and by CO oxidation activity at low temperatures.

• Korean Journal of Materials Research
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• v.28 no.1
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• pp.6-11
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• 2018

There are various manufacturing processes for pure $SiO_2$ that is used as abrasives, chemicals, filters, and glasses, and in metallurgy and optical industries. In the optical fiber industry, to produce $SiO_2$ preform, $SiCl_4$ is utilized as a raw material. However, the combustion reaction of $SiCl_4$ has caused critical environmental issues, such as ozone deficiency by chlorine compounds, the greenhouse effect by carbon dioxide and corrosive gas such as hydrochloric acid. Thus, finding an alternative source that does not have those environmental issues is important for the future. Octamethylcyclotetrasiloxane (OMCTS or D4) as a chlorine free source is recently promising candidate for the $SiO_2$ preform formation. In this study, we first conducted a vaporizer design to vaporize the OMCTS. The vaporizer for the OMCTS vaporization was produced on the basis of the results of the vaporizer design. The size of the primary particle of the $SiO_2$ formed by OMCTS was less than 100 nm. X-ray diffraction patterns of the $SiO_2$ indicated an amorphous phase. Fourier-transform infrared spectroscopy analysis revealed the Si-O-Si bond without the -OH group.

• Bulletin of the Korean Chemical Society
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• v.2 no.2
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• pp.71-75
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• 1981

Vacuum ultraviolet photolysis of ethyl bromide was studied at 104.8-106.7 nm (11.4-11.6 eV) in the pressure range of 0.2-18.6 torr at $25^{\circ}$ using an argon resonance lamp with and without additives, i.e., NO and He. Since the ionization potential of $CH_3CH_2Br$ is lower than the photon energy, the competitive processes between the photoionization and the photodecomposition were also investigated. The observations indicated that 50% of absorbed light leads to the former process and the rest to the latter one. In the absence of NO the principal reaction products for the latter process were found to be $CH_4, C_2H_2, C_2H_4, C_2H_6, and C_3H_8$. The product quantum yields of these reaction products showed two strikingly different phenomena with an increase in reactant pressure. The major products, $C_2H_4$ and $C_2H_6$, showed positive effects with pressure whereas the effects on minor products were negative in both cases, i.e., He and reactant pressures. Addition of NO completely suppresses the formation of all products except $C_2H_4$ and reduces the $C_2H_4$ quantum yield. These observations are interpreted in view of existence of two different electronically excited states. The initial formation of short-lived Rydberg transition state undergoes HBr molecular elimination and this state can across over by collisional induction to a second excited state which decomposes exclusively by carbon-bromine bond fission. The estimated lifetime of the initial excited state was ${\sim}4{\times}10^{-10}$ sec. The extinction coefficient for $CH_3CH_2Br$ at 104.8-106.7 nm and $25{\circ}$ was determined to be ${varepsilon} = (1/PL)ln(I_0/I_t) = 2061{\pm}160atm^{-1}cm6{-1}$ with 95% confidence level.

• Journal of the Korean Wood Science and Technology
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• v.37 no.1
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• pp.87-93
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• 2009

Properties and chemical bonding of wood charcoal were investigated to understand the chemistry occurring in wood carbonization. From the pH changes of wood charcoal, it is revealed that it becomes acidic to weakly basic for charcoal carbonized at about $300^{\circ}C$, whereas it turns to basic at higher carbonization temperature higher than $600^{\circ}C$. Also, the ratio of carbon atoms in the charcoal was increased with increasing the carbonization temperature, while those of oxygen and hydrogen atoms. This tendency was significant when the carbonization temperature was increased up to $600^{\circ}C$ and the ratio changes of the atoms became stable at above $600^{\circ}C$. In the changes of chemical bonding, the ratio of C-C bonding was increased and those of C-O-H and C-O-R bonding was decreased significantly. It is considered that bondings connected to oxygen atoms tends to be broken, and the ratio of C-C bonding increased. Consequently, it is expected that this change may causes occurrence of new functional groups. In addition to that, it seems to be that the chemical bondings undergo the partial decomposition, formation, and recombination steps, Because ratio of C=O bonding tended to be increased or decreased by increasing the carbonization temperature. This understanding of chemical bond changes in charcoal can be a compensative consideration on the knowledges made only by physical parameters in the properties of micro-pore which has limited to explain the phenomenon. Also, it is considered that this can be treated as a basic knowledge for upgrading and development of use of wood charcoal.