• Proceedings of the Korean Society for Bioinformatics Conference
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• 2004.11a
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• pp.203-209
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• 2004

Molecular docking using Lamarckian genetic algorithm of AutoDock 3.0 (AD3) was employed to understand in retrospect the selectivity of phenylaminopyrimidine (PAP) derivatives against the kinase domain c-Abl, implicated in chronic myelogenous leukemia (CML). The energetics of protein-ligand complex was scored using AD3 to identify active drug conformations while Ligplot and ligand protein contact (LPC) programs were used to probe schematic molecular recognition of the bound inhibitor to the protein. Results signify correlation between model and crystal structures of STI-571 compound or Imatinib (IM), a PAP derivative and now clinically proven for its efficacy in CML. A prospect active form Abl inhibitor scaffold from matlystatin class of compounds will be published elsewhere.

• Journal of the Korean Ceramic Society
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• v.55 no.4
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• pp.325-336
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• 2018

Perovskite solar cells (PSCs) are a new class of photovoltaic devices, which have attracted significant attention due to their remarkable optoelectrical properties, including high absorption coefficients, high carrier mobilities, long carrier diffusion lengths, tunable bandgaps, low cost, and facile fabrication. PSCs have reached efficiencies of 22.70% and 18.36% on rigid fluorine-doped tin oxide and poly(ethylene terephthalate) substrates, respectively; these are comparable to those of single-crystal silicon and copper-indium-gallium-selenium solar cells. Over the past eight years, the photo conversion efficiency of PSCs has been significantly improved by device-architecture adjustments, and absorber and electron/hole transport layer optimization. Each layer is important for the performance of PSCs; hence, we discuss achievements in flexible perovskite solar cells (FPSCs), covering electron/hole-transport materials, electrode materials. We give a comprehensive overview of FPSCs and put forward suggestions for their further development.

• Korean Journal of Optics and Photonics
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• v.1 no.2
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• pp.130-134
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• 1990

In this paper, pSDF-based referance image is reahzed. Using BJTC(binary joint transform correlator) as nonlinear correlator, optical pattern recognition for interclass discrimination is performed. Experimental results show that correlation peak intensity of one calss is two times higher than that of the other class, which indicates its superiority in discrimination sensitivity.

• Bulletin of the Korean Chemical Society
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• v.19 no.12
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• pp.1283-1293
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• 1998

A solid state chemical approach to discover new mateials with enhanced thermoelectric properties is described. The aim is to construct three-dimensional bismuth chalcogenide framework structures which contain tonically interacting alkali or alkaline earth atoms. The alkali atoms tend to have soft "rattling" type phonon modes which result in very low thermal conductivity in these materials. Another desirable feature in this class of compounds is the low crystal symmetry and narrow band-gaps. Several promising materials such as BaBiTe3, KBi6.33S10, K2Bi8S13, β-K2Bi8Se13, K2.5Bi8.5Se14, Ba4Bi6Se13, Eu2Pb2Bi6Se13, Al1+xPb4-2xSb7+xSe15 (A=K, Rb), and CsBi4Te6 are described.

• Proceedings of the Korea Association of Crystal Growth Conference
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• 1998.06a
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• pp.39-43
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• 1998

Single crystals of{{{{ { Zn}_{ 1-x} {Mn }_{x }{Te} }}}} with x=0.3-0.6 were prepared by the standard Bridgeman method. Diffuse neutron diffraction intensities due to the short range magnetic ordering is found in the vicinities of 1 1/2 0 reciprocal point and its equivalent point, indicating that the magnetic correlation of the clusters is the type III antiferromangetic one do the F-type Bravais class crystals, being identical with that of {{{{{ Cd}_{ 1-x} {Mn }_{x }Te }}}}. Neutron inelastic scattering measure-ment has been performed for {{{{{ Zn}_{ 0.6} { Mn}_{ 0.4}Te }}}} sample using the cold neutron spectrometer. AGNES. High resolution measurement with the energy resolution of {{{{ TRIANGLE E= +- .01meV}}}} was carried out in the temperature range from 10K to the ambient. Critical scattering, closely related with the spin glass transition, has been observed for the first time in this semimagnetic semi-conductor. The critical scattering is observed at temperatures in the vicinity of the spin glass transition temperature, 17K. The scattering is observed as a kind of quasielastic scattering in the reciprocal range where the elastic magnetic diffuse scattering has been observed, e.g., 11/20 reciprocal point, indicating the spin fluctuation has dynamic components in this material. Photoconductivity has been discovered below 150K in {{{{{ Zn}_{ 0.4} {Mn }_{0.6 } Te}}}}. The electric AC conductivity has been increased dramatically under the laser light with the wave lengths of {{{{ lambda =6328,5145 and4880 }}}}$\AA$ ,respectively. After the light was darkened, the conductivity was reduced to the original level after about 2000 seconds at 50K, being above the spin glass transition temperature. This phenomenon is the typical persistent photoconductivity; PPC which was similarly found in {{{{ { Zn}_{ 1-x} { Mn}_{x} Te}}}}.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.1 no.1
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• pp.27-32
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• 2000

Porous glass ceramics composed of $Ag_2-Li_2O-CaO-TiO_2-P_2O_5$-CaO with 0.05-1.5 mole CuO were prepared by melting and 2 step heat treatment for nucleation at $610^{\circ}C$ and crystallization at $840^{\circ}C$. $\beta$-$Ca_3(PO_4)_2$crystal phase was selectively leached out in 1N-HC1 solution for 3 days, leaving $AgTi_2(PO_4)_3$and $LiTi_2(PO_4)_3$crystal phases. Antibacterial effects and characterizations of the porous glass ceramics were investigated. Staphylococcus aureus and Salmonella typhi bacteroa were used in this study. It was found that the resultant porous glass ceramics show excellent bacteriostatic properties.

• Korean Journal of Food Science and Technology
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• v.54 no.2
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• pp.241-246
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• 2022

Antibiotic resistance is a serious problem to food safety as well as human healthcare. To avoid this, there are several approaches for a new class of antibiotic agents that target only production of virulence factors such as biofilm without bacterial growth defect. The objective of this study was to investigate the antibiofilm activity of tuberostemonine in Staphylococcus aureus. Tuberostemonine significantly reduced the biofilm formation (26.07-47.02%) in the crystal violet assay whereas there were no effect on S. aureus growth. The dispersion in preformed biofilm was also observed by confocal laser scanning microscopy (CLSM). Quantification real-time PCR revealed that the icaA and agrA expression having an important role in biofilm production of S. aureus were strongly affected with tuberostemonine. These results suggest that tuberostemonine has potential for controlling biofilm formation and dispersion by effect on virulence regulation of S. aureus.

• Journal of Powder Materials
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• v.29 no.1
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• pp.34-40
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• 2022

Recently, high-entropy carbides have attracted considerable attention owing to their excellent physical and chemical properties such as high hardness, fracture toughness, and conductivity. However, as an emerging class of novel materials, the synthesis methods, performance, and applications of high-entropy carbides have ample scope for further development. In this study, equiatomic (Hf-Ti-Ta-Zr-Nb)C high-entropy carbide powders have been prepared by an ultrahigh-energy ball-milling (UHEBM) process with different milling times (1, 5, 15, 30, and 60 min). Further, their refinement behavior and high-entropy synthesis potential have been investigated. With an increase in the milling time, the particle size rapidly reduces (under sub-micrometer size) and homogeneous mixing of the prepared powder is observed. The distortions in the crystal lattice, which occur as a result of the refinement process and the multicomponent effect, are found to improve the sintering, thereby notably enhancing the formation of a single-phase solid solution (high-entropy). Herein, we present a procedure for the bulk synthesis of highly pure, dense, and uniform FCC single-phase (Fm3m crystal structure) (Hf-Ti-Ta-Zr-Nb)C high-entropy carbide using a milling time of 60 min and a sintering temperature of 1,600℃.

• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.2008-2014
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• 2011

Serotonin or 5-hydroxytryptamine subtype 2C ($5-HT_{2C}$) receptor belongs to class A amine subfamily of G-protein-coupled receptor (GPCR) super family and its ligands has therapeutic promise as anti-depressant and -obesity agents. So far, bovine rhodopsin from class A opsin subfamily was the mostly used X-ray crystal template to model this receptor. Here, we explained homology model using beta 2 adrenergic receptor (${\beta}$2AR), the model was energetically minimized and validated by flexible ligand docking with known agonists and antagonists. In the active site Asp134, Ser138 of transmembrane 3 (TM3), Arg195 of extracellular loop 2 (ECL2) and Tyr358 of TM7 were found as important residues to interact with agonists. In addition to these, V208 of ECL2 and N351 of TM7 was found to interact with antagonists. Several conserved residues including Trp324, Phe327 and Phe328 were also found to contribute hydrophobic interaction. The predicted ligand binding mode is in good agreement with published mutagenesis and homology model data. This new template derived homology model can be useful for further virtual screening based lead identification.

• Molecules and Cells
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• v.39 no.4
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• pp.286-291
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• 2016

Epstein-Barr virus (EBV) is the prototypical ${\gamma}$-herpesvirus and an obligate human pathogen that infects mainly epithelial cells and B cells, which can result in malignancies. EBV infects these target cells by fusing with the viral and cellular lipid bilayer membranes using multiple viral factors and host receptor(s) thus exhibiting a unique complexity in its entry machinery. To enter epithelial cells, EBV requires minimally the conserved core fusion machinery comprised of the glycoproteins gH/gL acting as the receptor-binding complex and gB as the fusogen. EBV can enter B cells using gp42, which binds tightly to gH/gL and interacts with host HLA class II, activating fusion. Previously, we published the individual crystal structures of EBV entry factors, such as gH/gL and gp42, the EBV/host receptor complex, gp42/HLA-DR1, and the fusion protein EBV gB in a postfusion conformation, which allowed us to identify structural determinants and regions critical for receptor-binding and membrane fusion. Recently, we reported different low resolution models of the EBV B cell entry triggering complex (gHgL/gp42/HLA class II) in "open" and "closed" states based on negative-stain single particle electron microscopy, which provide further mechanistic insights. This review summarizes the current knowledge of these key players in EBV entry and how their structures impact receptor-binding and the triggering of gB-mediated fusion.