• Journal of the Korean Crystal Growth and Crystal Technology
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• v.12 no.2
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• pp.87-90
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• 2002

$LiCoO_{2}$ powders were synthesized at various temperatures using lithium hydroxide and cobalt hydroxide as precursors prepared by precipitation process and freeze-drying. In this study, the$LiCoO_{2}$ samples were synthesized via a solid state reaction with various LiOH concentration between 10 % and 30 % excess. And $LiCoO_{2}$powders were calcined at 600~$800^{\circ}C$ in a short time. Measurements of XRD and SEM were performed to characterize the properties of the prepared materials. The effect of amount of Li ions on the structural change in powder has been examined using the XRD analysis. For the not added excess of LiOH, CoOOH phase presented in the XRD pattern of $LiCoO_{2}$ due to loss of Li ions during firing. The morphology and particle size of the powders were examined using SEM. The obtained powders are high temperature-$LiCoO_{2}$HT-LiCoO$_{2}$) and homogeneous with the range of grain size in the order of hundreds of nanometers. The effects of variation of LiOH concentration on the structural change in powder were investigated using the Rietveld analysis. As an analysis result, c/a is constant by 4.99 on all occasions. Finally, the structure of HT-$LiCoO_{2}$ was simulated by the commercial software $Creius^{2}$(Molecular Simulations, Inc.) from the results of Rietveld analysis.

• Analytical Science and Technology
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• v.30 no.5
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• pp.226-233
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• 2017

In general, quantitative chemical analysis in various areas including food, the environment, in vitro diagnostics, etc., requires traceability in order to increase the reliability of the measurements. Measurement traceability is a property of an unbroken chain of comparisons relating an instrument's measurements to SI units. Purity analysis is the first process for establishing traceability to SI units in chemical measurements. The purpose of this study is to develop and validate a method of purity assignment for establishing the traceability of $17{\beta}$-estradiol measurements in an in vitro diagnostics field. The establishment of this method is very important as it can be applied to the development of CRM and to the analysis of the purity of other hormones. The method of assignment of the purity of $17{\beta}$-estradiol was developed using the mass balance method and was validated through participation in an International comparison. In the mass balance method, impurities are categorized into four classes as follows: total related structure impurities, water, residual organic solvents, and nonvolatiles/inorganics. In this study, total related structure impurities were characterized by a gas chromatography-flame ionization detector (GC-FID) and a high-performance liquid chromatography-ultraviolet (HPLC-UV) detector, water content was determined by a Karl-Fisher coulometer, and total residual solvents and nonvolatiles/inorganics were checked simultaneously by thermogravimetric analysis (TGA). The purity of the $17{\beta}$-estradiol was 985.6 mg/g and the expanded uncertainty was 2.1 mg/g at 95% confidence. The developed method can be applied to the development of certified reference materials, which play a critical role in traceability.

• Macromolecular Research
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• v.17 no.5
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• pp.325-331
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• 2009

The synthesis and the characterization of crosslinked ABC triblock copolymer, i.e. polystyrene-b-poly (hydroxyethyl methacrylate)-b-poly(styrene sulfonic acid), (PS-b-PHEMA-b-PSSA) is reported. PS-b-PHEMA-b-PSSA triblock copolymer at 20:10:70 wt% was sequentially synthesized via atom transfer radical polymerization (ATRP). The middle block was crosslinked by sulfosuccinic acid (SA) via the esterification reaction between -OH of PHEMA and -COOH of SA, as demonstrated by FTIR spectroscopy. As increasing amounts of SA, ion exchange capacity (IEC) continuously increased from 2.13 to 2.82 meq/g but water uptake decreased from 181.8 to 82.7%, resulting from the competitive effect between crosslinked structure and the increasing concentration of sulfonic acid group. A maximum proton conductivity of crosslinked triblock copolymer membrane at room temperature reached up to 0.198 S/cm at 3.8 w% of SA, which was more than two-fold higher than that of Nafion 117(0.08 S/cm). Transmission electron microscopy (TEM) analysis clearly showed that the PS-b-PHEMA-b-PSSA triblock copolymer is microphase-separated with a nanometer range and well developed to provide the connectivity of ionic PSSA domains. The membranes exhibited the good thermal properties up to $250^{\circ}C$ presumably resulting from the microphase-separated and crosslinked structure of the membranes, as revealed by thermal gravimetric analysis (TGA).

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.359-359
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• 2011

This study reports the H2S gas sensing properties of CuO / ZnO nano-hetero structure bundle and the investigation of gas sensing mechanism. The 1-Dimensional ZnO nano-structure was synthesized by hydrothermal method and CuO / ZnO nano-heterostructures were prepared by photo chemical reaction. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) spectra confirmed a well-crystalline ZnO of hexagonal structure. In order to improve the H2S gas sensing properties, simple type of gas sensor was fabricated with ZnO nano-heterostructures, which were prepared by photo-chemical deposition of CuO on the ZnO nanorods bundle. The furnace type gas sensing system was used to characterize sensing properties with diluted H2S gas (50 ppm) balanced air at various operating temperature up to 500$^{\circ}C$. The H2S gas response of ZnO nanorods bundle sensor increased with increasing temperature, which is thought to be due to chemical reaction of nanorods with gas molecules. Through analysis of X-ray photoelectron spectroscopy (XPS), the sensing mechanism of ZnO nanorods bundle sensor was explained by well-known surface reaction between ZnO surface atoms and hydrogen sulfide. However at high sensing temperature, chemical conversion of ZnO nanorods becomes a dominant sensing mechanism in current system. Photo-chemically fabricated CuO/ZnO heteronanostructures show higher gas response and higher current level than ZnO nanorods bundle. The gas sensing mechanism of the heteronanostructure can be explained by the chemical conversion of sensing material through the reaction with H2S gas.

• Journal of Korean Society of Industrial and Systems Engineering
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• v.19 no.38
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• pp.117-129
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• 1996

This Study intends to analysis what 3 factors, which are indices of Capital, Labor and Distribution, really affect to Value-Added Productivity through Statistical Analysis. For this, We selected 12 indices of Value-Added from the edition of 'Annual report of Korean companies' published in 'Korea Investors Service., Inc', especially in parts of Chemicals and Chemical products of total 85 companies. Using this data, Multivariate Statistical Analysis such as Principal Component Analysis, Factor Analysis, Covariance Structure Analysis is taken for modeling the effect of 3 factor(Labor Productivity, Capital Productivity and the Index of Distribution) on Value-Added Productivity.

• Analytical Science and Technology
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• v.18 no.5
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• pp.386-390
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• 2005

The zinc(II) complex, $Zn(NCS)_2(C_3H_4N_2S)_2$, I, has been synthesized and characterized by single crystal X-ray diffraction, thermal analysis and infrared spectroscopy. The complex I crystallizes in the triclinic system, $P\bar{1}$ space group with a = 7.587(1), b = 8.815(1), $c=12.432(2){\AA}$, ${\alpha}=75.584(8)$, ${\beta}=83.533(9)$, ${\gamma}=68.686(8)^{\circ}$, $V=750.0(2){\AA}^3$, Z = 2, $R_1=0.036$ and ${\omega}R_2=0.101$. The central Zn(II) atom has a tetrahedral coordination geometry, with the heterocyclic nitrogen atoms of 2-aminothiazole ligands and the nitrogen atoms of isothiocyanate ligands. The crystal structure is stabilized by one-dimensional networks of the intermolecular $N-H{\cdots}S$ hydrogen bonds between the amino group of 2-aminothiazole ligands and the sulfur atom of isothiocyanate ligands. Based on the results of thermal analysis, the thermal decomposition reaction of complex I was analyzed to have three distinctive stages such as the loss of 2-aminothiazole, the decomposition of isothiocyanate and the formation of metal oxide.

• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.2065-2071
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• 2014

${\beta}$-Secretase (beta-amyloid converting enzyme 1 [BACE1]) is involved in the first and rate-limiting step of ${\beta}$-amyloid ($A{\beta}$) peptides production, which leads to the pathogenesis of Alzheimer's disease(AD). Therefore, inhibition of BACE1 activity has become an efficient approach for the treatment of AD. Ligand-based and docking-based 3D-quantitative structure-activity relationship (3D-QSAR) studies of acyl guanidine analogues were performed with comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) to obtain insights for designing novel potent BACE1 inhibitors. We obtained highly reliable and predictive CoMSIA models with a cross-validated $q^2$ value of 0.725 and a predictive coefficient $r{^2}_{pred}$ value of 0.956. CoMSIA contour maps showed the structural requirements for potent activity. 3D-QSAR analysis suggested that an acyl guanidine and an amide group in the $R_6$ substituent would be important moieties for potent activity. Moreover, the introduction of small hydrophobic groups in the phenyl ring and hydrogen bond donor groups in 3,5-dichlorophenyl ring could increase biological activity.

• Bulletin of the Korean Chemical Society
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• v.25 no.12
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• pp.1801-1806
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• 2004

Ligand-based quantitative structure-activity relationship (QSAR) studies were performed on indolinones derivatives as a potential inhibitor of the protein tyrosine kinase of fibroblast growth factor receptor (FGFR) by comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) implemented in the SYBYL packages. The initial X-ray structure of docked ligand (Su5402) to FGFR was used to minimize the 27 training set molecules using TRIPOS force field. Seven models were generated using CoMFA and CoMSIA with grid spacing 2 ${\AA}$. After the PLS analysis the best predicted CoMSIA model with hydrophobicity, hydrogen bond donor and acceptor property showed that a leave-one out(LOO) cross validated value $({r^2}_{cv})^$ and non-cross validated conventional value $({r^2}_{ncv})^$ are 0.543 and 0.938, respectively.

• Corrosion Science and Technology
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• v.15 no.2
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• pp.84-91
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• 2016

The transport and deposition of corrosion products in pressurized water nuclear reactor (PWR) steam generators have led to corrosion (SCC, denting etc.) problems. Lancing, mechanical cleaning and chemical cleaning have been used to reduce these problems. The methods of lancing and mechanical cleaning have limitations in removing corrosion products due to the structure of steam generator tubes. But high temperature chemical cleaning (HTCC) with EDTA is the most effective method to remove corrosion products regardless of the structure. However, EDTA in chemical cleaning aqueous solution and chemical cleaning environments affects the integrity of materials used in steam generators. The nuclear power plants have to perform the pre-test (also called as qualification test (QT)) that confirms the effect on the integrity of materials after HTCC. This is one of the series studies that assess the effect, and this study determines the effects of 20 % EDTA aqueous solution on defective tubes in high temperature chemical cleaning environments. The depth and magnitude of defects in steam generator (SG) tubes were measured by eddy current test (ECT) signals. Surface analysis and magnitude of defects were performed by using SEM/EDS. Corrosion rate was assessed by weight loss of specimens. The ECT signals (potential and depth %) of defective tubes increased marginally. But the lengths of defects, oxides on the surface and weights of specimens did not change. The average corrosion rate of standard corrosion specimens was negligible. But the surfaces on specimens showed traces of etching. The depth of etching showed a range on the nanometer. After comprehensive evaluation of all the results, it is concluded that 20 % EDTA aqueous solution in high temperature chemical cleaning environments does not have a negative effect on defective tubes.

• Tribology and Lubricants
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• v.28 no.1
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• pp.7-11
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• 2012

In this paper, the results of finite element(FE) analysis of chemical mechanical polishing(CMP) process using 2-dimensional elements were discussed. The objective of this study is to find the generation mechanism of microscratches on a wafer surface during the process. Especially, a FE model with a particle inside pad pore was considered to observe how such a contact situation could contribute to microscratch generation. The results of the finite element simulations revealed that during CMP process the pad-particle mixture could be formed and this would be a major factor leading to microscratch generation.