• Journal of the Korean Chemical Society
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• v.47 no.6
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• pp.553-558
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• 2003

The crystal structure of $[n-Bu_4N]_2[Mo_6O_{19}]$(TBAM) (n-Bu4N=tetrabutylammonium) has been determined by X-ray crystallography. It crystallizes in the monoclinic system, space group C2/c, with lattice parameters ${\alpha}$=16.314(5), b=17.288(5), c=17.776(4)${\AA}$ ${\beta}$=101.47(3), and Z=4. In $[Mo_6O{19}]^{2-}$ anion, Mo atoms occupy six vertices of octahedron and each Mo atom is coordinated by six oxygen atoms to adopt distorted octahedral coordination geometry. The average bond distance of Mo-Ot (terminal), Mo-Ob (bridged) and Mo-Oc (central) are 1.680 ${\AA}$, 1.931 ${\AA}$ and 2.325 ${\AA}$ respectively. In $[n-Bu_4N]^+$ cation, the N atom possesses a slightly distorted tetrahedral geometry. There are some potential extensive C-H ${\cdots}$ O hydrogen bonds in the lattice, by which connecte molecules and stabilize the crystal structure. Thermogravimetric analysis suggests that thermal decomposition of the title compound includes two transitions and it loses weight at 356.0 and 803.5 $^{\circ}$, respectively, and the residue presumable be $Mo_2O_2$. Accordingly, the title compound has high thermal stability.

• Journal of the Korean Ceramic Society
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• v.25 no.5
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• pp.561-569
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• 1988

Mixtures of very small amounts of additive, carbon and silica(about 0.46${\mu}{\textrm}{m}$) which synthesized by the hydrolysis of ethyl silicate, the molar ratio of SiO2/C was fixed to 1/10, was nitrided at 145$0^{\circ}C$. It was considered that the optimum amount of additive to promote the nitridation reaction was below 2.0wt%. By the addition of additive, the nitridation reaction was promoted and formation of $\beta$-Si3N4 was promoted at 145$0^{\circ}C$ for 1hour, but, the nitridation reaction was decreased and the ratio of $\alpha$/$\beta$ of Si3N4, was increased at 145$0^{\circ}C$ for 5 hours. The crystal phase was $\alpha$ phase and the nitridation reaction was promoted and the particle size of silicon nitride was become smaller by the addition of $\alpha$-Si3N4, but silicon nitride of whisker-like form was produced by the addition of transition elements. There was a difference in the lattice constants of $\alpha$-Si3N4, but no difference in its of $\beta$-Si3N4 according to kinds of added substance and reaction time.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2002.05c
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• pp.67-70
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• 2002

The composites were fabricated 61vol% ${\beta}$-SiC and 39vol.% $TiB_2$ powders with the liquid forming additives of 8, 12, 16wt% $Al_2O_3+Y_2O_3$ by pressureless annealing at $1650^{\circ}C$ for 4 hours to form YAG. The result of phase analysis of composites by XRD revealed ${\alpha}$-SiC(6H), $TiB_2$, and YAG($Al_5Y_3O_{12}$) crystal phase. The relative density and the Young's modulus showed the highest value of 82.29% and 54.60 Gpa for composites added with 16wt% $Al_2O_3+Y_2O_3$ additives at room temperature.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.256-256
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• 2013

Carbon nanotubes (CNT) / polyvinylidene fluoride (PVDF) piezoelectric composite films for nanogenerator devices were fabricated by spray coating method. When the CNT/PVDF mixture solution passes through the spray nozzle with small diameter by the compressed nitrogen gas, electric charges are generated in the liquid by a triboelectric effect. Then randomly distributed ${\beta}$ phase PVDF film could be re-oriented by the electric field resulting from the accumulated electrical charges, and might be resulted in extremely one-directionally aligned ${\beta}$ phase PVDF film without additional electric field for poling. X-ray diffraction patterns were used to investigate crystal structure of the CNT/PVDF composite films. It was confirmed that they revealed extremely large portion of the ${\beta}$ phase PVDF crystalline in the film. Therefore we could obtain the poled CNT/PVDF piezoelectric composite films by the spray coating method without additional poling process. Charge accumulation and resulting electric field generation mechanism by spray coating method were shown in Fig. 1. The capacitance of the CNT/PVDF films increased by adding CNTs into the PVDF matrix, and finally saturated. However, the I-V curves didn't show any saturation effect in the CNT concentration range of 0~4 wt%. Therefore we can control the performance of the devices fabricated from the CNT/PVDF composite film by adjusting the current level resulted from the CNT concentration with the uniform capacitance value.

• Proceedings of the Korean Society for Bioinformatics Conference
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• 2005.09a
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• pp.325-330
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• 2005

We are generally interested in the analysis, detection and prediction of structural motifs in proteins, in order to infer compatibility of amino acid sequence to structure in proteins of known three-dimensional structure available in the Protein Data Bank. In this context, we are analyzing some of the well-characterized structural motifs in proteins. We have analyzed simple structural motifs, such as, ${\beta}$-turns and ${\gamma}$-turns by evaluating the statistically significant type-dependent amino acid positional preferences in enlarged representative protein datasets and revised the amino acid preferences. In doing so, we identified a number of ‘unexpected’ isolated ${\beta}$-turns with a proline amino acid residue at the (i+2) position. We extended our study to the identification of multiple turns, continuous turns and to peptides that correspond to the combinations of individual ${\beta}$ and ${\gamma}$-turns in proteins and examined the hydrogen-bond interactions likely to stabilize these peptides. This led us to develop a database of structural motifs in proteins (DSMP) that would primarily allow us to make queries based on the various fields in the database for some well-characterized structural motifs, such as, helices, ${\beta}$-strands, turns, ${\beta}$-hairpins, ${\beta}$-${\alpha}$-${\beta}$, ${\psi}$-loops, ${\beta}$-sheets, disulphide bridges. We have recently implemented this information for all entries in the current PDB in a relational database called ODSMP using Oracle9i that is easy to update and maintain and added few additional structural motifs. We have also developed another relational database corresponding to amino acid sequences and their associated secondary structure for representative proteins in the PDB called PSSARD. This database allows flexible queries to be made on the compatibility of amino acid sequences in the PDB to ‘user-defined’ super-secondary structure conformation and vice-versa. Currently, we have extended this database to include nearly 23,000 protein crystal structures available in the PDB. Further, we have analyzed the ‘structural plasticity’ associated with the ${\beta}$-propeller structural motif We have developed a method to automatically detect ${\beta}$-propellers from the PDB codes. We evaluated the accuracy and consistency of predicting ${\beta}$ and ${\gamma}$-turns in proteins using the residue-coupled model. I will discuss results of our work and describe databases and software applications that have been developed.

• Applied Chemistry for Engineering
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• v.7 no.6
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• pp.1105-1114
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• 1996

The characteristic and performance of ${\beta}-PbO_2$ layer electrodeposited on ${\alpha}-PbO_2/IrO_2-TiO_2/Ti$ substrate by adding sodium lauryl sulfate and $TiO_2$ powder in lead nitrate solution were investigated by using XRD, SEM, cyclic voltammograms, and macro-elctrolysis. Results of XRD analysis ascertain that ${\beta}-PbO_2$ layers electrodeposited in the presence of sodium lauryl sulfate and $TiO_2$, powder on ${\alpha}-PbO_2/IrO_2-TiO_2/Ti$ substrate have the same tetragonal structure as pure ${\beta}-PbO_2$ layers. The SEM results show that sodium lauryl sulfate tend to diminish crystal size of the deposited layer. The ${\beta}-PbO_2$ electrode electrodeposited in the presence of sodium lauryl sulfate and $TiO_2$ powder gives significantly improved oxygen overvoltage and durability for anodic oxidation in KOH and $HClO_4$ supporting electrolyte. Electrode performance and durability for the evolution of ozone in perchloric acid solution have been investigated by using ${\beta}-PbO_2$ electrodes electrodeposited on Titanium $madras^{(R)}$. It was ascertained that the $PbO_2$ electrode electrodeposited on ${\alpha}-PbO_2/IrO_2-TiO_2/Ti$ $madras^{(R)}$ by adding sodium lauryl sulfate and $TiO_2$ powder in $HClO_4$ supporting electrolyte had the highest current efficiency and durability.

• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.2015-2020
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• 2011

A series of isoxazol-indolin-2-one was designed for GSK-3${\beta}$ inhibitors as novel anticancer agents based on their binding mode analysis in GSK-3${\beta}$ crystal structure. Total 21 compounds were synthesized and evaluated for their inhibitory activity against two tumor cell lines (DU145 and HT29). Most of the synthesized compounds were potent with above 80% inhibitory activity at 100 ${\mu}M$, and several compounds were examined for inhibitory activity against GSK-3${\beta}$. Among them, 15(Z) ($R_1$=H, $R_2$=3-Cl-phenyl) was most active with 78% inhibition of tumor cell line (HT29) at 20 ${\mu}M$ and 72% inhibition of GSK-3${\beta}$ at 20 ${\mu}M$.

• Bulletin of the Korean Chemical Society
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• v.29 no.6
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• pp.1157-1161
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• 2008

2,6-Dinitrophenol (2,6-DNP) complexes with lanthanide series including yttrium (except Pm, Tm, and Lu) have been synthesized and their crystal structures have been analyzed by X-ray diffraction methods. Singlecrystal X-ray structure determinations have been performed at 296 K on the Ce$\rightarrow$Yb species and shown them to be isomorphous, triclinic, P1, a = 8.6558(2)$\rightarrow$8.5605(3) $\AA$, b = 11.8813(3)$\rightarrow$11.6611(4) $\AA$, c = 13.9650(3) $\rightarrow$13.8341(5) $\AA$, $\alpha$ = 73.785(1)$\rightarrow$73.531(2)o, $\beta$ = 74.730(1)→74.903(2)${^{\circ}}$, $\gamma$ = 69.124(1)→ 69.670 $(2){^{\circ}}$, V = 1266.86(5)→1221.53(7) $$\AA^{3}$$, Z = 2. In Ln(III) complexes, three 2,6-DNP ligands coordinate directly to the metal ion in the bidentate fashion. The nine coordinated Ln(III) ion forms slightly distorted tri-capped trigonal prism. There are no water molecules in the crystal lattice. The dependences of metal to ligand bond lengths are discussed on the atomic number of lanthanide elements. The thermal properties of lanthanide complexes of 2,6- DNP have also studied by TG-DTG and DSC thermal analysis methods.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.10 no.2
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• pp.111-115
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• 2000

$BaTIO_3$ thin films were prepared on (100) $BaTIO_3$ substrates by coating- pyrolysis process using metal-organic compounds of Ba and Ti. The amorphous films prefired at $450^{\circ}C$were crystallized above $700^{\circ}C$ under oxygen partial pressure of $2\times 10^{-4}$. The lattice parameters of the perpendicular axis for the $BaTIO_3$ thin films heat-treated below $800^{\circ}C$ were closer to a value of cubic $BaTIO_3$, whereas those above $800^{\circ}C$ were closer to a value of tetragonal BaTiG. The results of XRD P scan and pole-figure analyses indicated that BaTiO, thin films have an epitaxial relationship with the $SrTiO_3$ substrates. The $BaTIO_3$thin films annealed at$800^{\circ}C$ showed the surface with island-like grains about 0.4$mu \textrm{m}$ and the cross section of 0.8 $mu \textrm{m}$ thickness with granular grains.

• Bulletin of the Korean Chemical Society
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• v.35 no.6
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• pp.1697-1702
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• 2014

A novel complex [$Zn(phen)(o-AB)_2$] [phen: 1,10-phenanthroline o-AB: o-aminobenzoic acid] was synthesized and characterized by elemental analysis and X-ray diffraction single-crystal analysis. The crystal crystallizes in monoclinic, space group P2(1)/c with $a=7.6397(6){\AA}$, $b=16.8761(18){\AA}$, $c=17.7713(19){\AA}$, ${\alpha}=90^{\circ}$, ${\beta}=98.9570(10)^{\circ}$, ${\gamma}=90^{\circ}$, $V=2.2633(4)nm^3$, Z = 4, F(000) = 1064, S = 1.058, $Dc=1.520g{\cdot}cm^{-3}$, $R_1=0.0412$, $wR_2=0.0948$, ${\mu}=1.128mm^{-1}$. The Zn(II) is six coordinated by two nitrogen and four oxygen atoms from the 1,10-phenanthroline and o-aminobenzoic acid to furnish a distorted octahedron geometry. The complex exhibits intense fluorescence at room temperature. Theoretical studies of the title complex were carried out by density functional theory (DFT) B3LYP method. CCDC: 898291.