• Bulletin of the Korean Chemical Society
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• v.25 no.10
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• pp.1513-1520
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• 2004

We investigate a series of synthesized ${\beta}$-methoxyacrylate analogues for their 3D QSAR & HQSAR against Magnaporthe grisea (Rice Blast Disease). We perform the three-dimensional Quantitative Structure-Activity Relationship (3D-QSAR) studies, using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) procedure. In addition, we carry out a two-dimensional Quantitative Structure-Activity Relationship (2D-QSAR) study, using the Hologram QSAR (HQSAR). We perform these studies, using 53 compounds as a training set and 10 compounds as a test set. The predictive QSAR models have conventional $r^2$ values of 0.955 at CoMFA, 0.917 at CoMSIA, and 0.910 at HQSAR respectively; similarly, we obtain cross-validated coefficient $q^2$ values of 0.822 at CoMFA, 0.763 at CoMSIA, and 0.816 at HQSAR, respectively. From these studies, the CoMFA model performs better than the CoMSIA model.

• Journal of the Korean institute of surface engineering
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• v.29 no.6
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• pp.851-856
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• 1996

Copper Phthalocyanine (CuPc) thin films were fabricated on the silicon wafers by plasma activated evaporation method and structural analysis were carried out with various spectroscopies. The CuPc films had dense and smooth morphology and they also showed good mechanical properties and chemical resistance. The main molecular structure of the CuPc, which is the conjugated aromatic heterocyclic ring structure, was maintained even in the plasma process. However, metal-ligand (Cu-N) bands were deformed by the plasma process and the structure became amorphous especially at higher process pressures. Oxygen impurities were incorporated in the film and carboxyl functional groups were formed at the peripheral benzene ring. The structure and morphology of the films were dependent on the process pressure but relatively irrespective of the RF power.

• Korean Chemical Engineering Research
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• v.46 no.3
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• pp.529-534
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• 2008

The normal shell and the regenerated oyster shell, Crassostrea gigas, are separated according to the characteristics of inner shell morphology. To study characteristics of chitin obtained from the regenerated shell, chitin prepared by acid and alkali process is analyzed by FT-IR (Fourier transform infrared spectrometer) and XRD (X-ray Diffractometer). The content of insoluble protein in the normal shell was more than doubled as compared with that in the regenerated shell. A comparison of secondary structure of the normal shell and the regenerated shell revealed that the content of random of the regenerated shell was above 47%, indicating an amount in the structural unordered state. Through amino acid composition analysis and secondary protein structure of soluble protein isolated from the normal shell and the regenerated shell, it was found that there are differences in biomineralization strategy of the regenerated shell as compared to the normal shell. The relatively low hardness of the regenerated shell is caused by the change of amino acid composition and ordered secondary protein structure as compared to hardness of the normal shell.

• Polymer(Korea)
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• v.39 no.3
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• pp.359-364
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• 2015

A self-oscillating interpenetrating polymer network (IPN) poly(acrylic acid)/poly(ethylene glycol) (PAA/PEG) hydrogel was prepared by using radical polymerization with a two-step method. The IPN hydrogel was characterized by FTIR spectroscopy and morphological analysis. The results indicated that the chains of PEG and PAA twined to form porous structure which is beneficial to water molecules entering inside of the hydrogel. In addition, the pH-responsive behavior, salt sensitivity, swelling/de-swelling oscillatory behaviors and self-oscillation in a closed pH oscillator were also studied. The results showed that the prepared hydrogel exhibited pH-sensitivity, good swelling/de-swelling reversibility and excellent salt sensitivity. The self-oscillating behavior of swelling/de-swelling for the prepared hydrogel was caused by pH alteration coupled with the external media. This study may create a new possibility as biomaterial including new self-walking actuators and other related devices.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.14 no.1
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• pp.20-27
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• 2013

Recently, variety of methods have been studied to improve automotive fuel economy and the reduction of exhaust emissions. The purpose of this study is to identify the change in the molecular structure of gasoline and diesel by the ion ceramic bar according to the immersion time and to predict the effect for the fuel economy and exhaust emissions by the immersion time. In order to achieve the purpose, we got sedimentation samples for physical analysis and chemical analysis by experiments and characteristics were analyzed. As a result, the changes in the molecular structure by the ceramic bar in the engine by the chemical and physical analysis was able to predict the performance improvement in the case of gasoline. But there is a need to produce suitable ceramic bar for the diesel because there was an irregular change depending on the time of sedimentation in the diesel.

• Polymer(Korea)
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• v.37 no.2
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• pp.177-183
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• 2013

Surface properties such as morphology, crystalline structure, and chemical composition of poly(vinylidene fluoride) (PVDF)/poly(methyl methacrylate) (PMMA) blend coatings prepared by dispersion coating on poly(ethylene terephthalate) (PET) film have been investigated. It was observed that the surface properties were greatly influenced by the coating temperature and blend composition according to SEM, ATR-FTIR and XPS analysis. The typical surface morphology of ${\alpha}$-crystalline structure of PVDF could be observed when the coating temperature was lower than $120^{\circ}C$ or the amount of PVDF was higher than 80 wt% in the blend. Otherwise, the crystalline structure was changed from ${\alpha}$-crystal to ${\gamma}$-crystal or amorphous state. Based on the XPS analysis, the surface segregation of PVDF chains in the blend coating was confirmed.

• Proceedings of the Korea Association of Crystal Growth Conference
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• 1996.06a
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• pp.494-496
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• 1996

The purpose of this study is to investigate the effect of process conditions on pore distribution in porous silicon layer prepared by electrochemical reaction. Porous silicon layers formed on p-type silicon wafer show the network structure of fine porse whose diameters are less than 100${\AA}$. In n-type porous silicon, selective growth was found on the pore surface by wet etching process after PR patterning. And numerical method showed high current density on the pore tip. With this result we confirmed that pore formation has two steps. First step is the initial attack on the surface and second step is the directional growth on the pore tip.

• Bulletin of the Korean Chemical Society
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• v.34 no.7
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• pp.1995-2000
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• 2013

Layered $Li_{1.2}(Fe_{0.16}Mn_{0.32}Ni_{0.32})O_2$ was prepared by the mixed hydroxide method at various temperatures. Xray diffraction (XRD) pattern shows that this material has a ${\alpha}-NaFeO_2$ layered structure with $R{\bar{3}}m$ space group and that cation mixing is reduced with increasing synthesis temperature. Scanning electron microscopy (SEM) reveals that nano-sized $Li_{1.2}(Fe_{0.16}Mn_{0.32}Ni_{0.32})O_2$ powder has uniform particle size distribution. X-ray absorption near edge structure (XANES) analysis is used to study the local electronic structure changes around the Mn, Fe, and Ni atoms in this material. The sample prepared at $700^{\circ}C$ delivers the highest discharge capacity of 207 $mAhg^{-1}$ between 2-4.5 V at 0.1 $mAcm^{-2}$ with good capacity retention of 80% after 20 cycles.

• Advances in environmental research
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• v.4 no.2
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• pp.69-81
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• 2015

A new magnetite-silica core/shell nanocomposite ($Fe_3O4@nSiO_2@mSiO_2$) was synthesized and functionalized with trimethylchlorosilane (TMCS). The prepared nanocomposite was used for the removal of diesel oil from aqueous media. The characterization of magnetite-silica nanocomposite was studied by X-ray diffraction (XRD), Fourier transform infrared (FTIR), transmission electron microscopy (TEM), surface area measurement, and vibrating sample magnetization (VSM). Results have shown that the desired structure was obtained and surface modification was successfully carried out. FTIR analysis has confirmed the presence of TMCS on the surface of magnetite silica nanocomposites. The low- angle XRD pattern of nanocomposites indicated the mesoscopic structure of silica shell. Furthermore, TEM results have shown the core/shell structure with porous silica shell. Adsorption kinetic studies indicated that the nanocomposite was able to remove 80% of the oil contaminant during 2 h and fit well with the pseudo-second order model. Equilibrium studies at room temperature showed that the experimental data fitted well with Freundlich isotherm. The magnetic property of nanocomposite facilitated the separation of solid phase from aqueous solution.

• Analytical Science and Technology
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• v.21 no.6
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• pp.562-568
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• 2008

A novel two-dimensional cadmium(II)-nickel(II) bimetallic host clathrate, $[Cd{NH_2CH_2CH_2OH}_2Ni(CN)_4]{\cdot}3C_6H_5NH_2{\cdot}H_2O$, 1, has been synthesized and structurally characterized by X-ray single crystallographic method. The clathrate 1 crystallizes in the monoclinic system, space group $P2_1/c$ with a = 14.370(3), b = 7.728(1), c = 28.172(4) ${\AA}$, ${\beta}=97.58(1)^{\circ}$, V = 3101.1(9) ${\AA}^3$, Z = 4. The host framework of the clathrate 1 is built of the cyanide bridges between octahedral Cd(II) atom and square planar Ni(II) atom. The octahedral Cd atoms ligated by two 2-aminoethanol molecules and four cyanide ligands bridged with square planar Ni atoms. The Ni atoms bridges to four Cd atoms via cyanides is made up of puckered quadrangles of composition $\{CdNi(CN)_2\}_2$, all edges are shared. This cyanide bridges form an infinite two-dimensional host networks stacking along b axis. 2-Aminoethanol ligands bond to Cd atom through N atom as a monodentate ligand in the axial position and four cyanides take an equatorial plane with all in trans-configurations. The aniline guest molecules and water molecules are located in between the host layer sheets, respectively.