• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.1177-1181
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• 2014

A 2D grid-like (4, 4)-connected topology coordination polymer, $[Co(BTA)_2(H_2O)_2]_n$ (1), where HBTA = 2-(1H-benzotriazol-1-yl)acetic acid, has been synthesized by hydrothermal method and characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy (SPS). X-ray diffraction analyses indicated that 1 displays octahedral metal centers with secondary building units (SBUs) [$Co(BTA)_2(H_2O)_2$] bridged by the $BTA^-$ ligands. In the crystal, the 2D supramolecular architecture is further supported by $O-H{\cdots}O$, $O-H{\cdots}N$, $C-H{\cdots}O$ hydrogen bonds and ${\pi}{\cdots}{\pi}$ stacking interactions. The SPS of polymer 1 indicates that there are positive response bands in the range of 300-600 nm showing photo-electric conversion properties. There are good relationships between SPS and UV-Vis spectra.

• Proceedings of the Korea Crystallographic Association Conference
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• 2003.05a
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• pp.15-15
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• 2003

To discover new drugs more quickly and more efficiently, pharmaceutical companies and biotechnology firms are increasingly turning to the genomics and the structural proteomics technologies. Structural-proteomics can provide a foundation for this through the determination and analysis for protein structure on a genomics scale. Among many structures determined by CGI, we will present with the representative examples drawn from our work on novel structures or complex structures of the disease-related proteins. The alpha subunit of Hypoxia-inducible factor (HIF) is targeted for degradation under normoxic conditions by an ubiquitin-ligase complex that recognizes a hydroxylated proline residue in HIF. Hydroxylation is catalysed by HIF prolyl 4-hydroxylases (HIFPH) which are fe(II) and 2-oxoglutarate (2-OG) dependent oxygenases. Here, we discuss the first crystal structure of the catalytic domain of HIFPH in complexes, with the Fe(II)/2-OG at 1.8Å. These structures suggest that the Ll region (residues 236-253), which is also conserved in mammals, form a 'lid' that closes over the active site. The structural and mutagenesis analyses allow us to provide a focus for understanding cellular responses to hypoxia and a target for the therapeutic manipulation.

• Proceedings of the Korean Biophysical Society Conference
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• 2003.06a
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• pp.28-28
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• 2003

To discover new drugs more quickly and more efficiently, pharmaceutical companies and biotechnology firms are increasingly turning to the genomics and the structural proteomics technologies. Structural-proteomics can provide a foundation for this through the determination and analysis for protein structure on a genomics scale. Among many structures determined by CGI, we will present with the representative examples drawn from our work on novel structures or complex structures of the disease-related proteins. The alpha subunit of Hypoxia-inducible factor (HIF) is targeted for degradation under normoxic conditions by an ubiquitin-ligase complex that recognizes a hydroxylated proline residue in HIF, Hydroxylation is catalysed by HIF prolyl 4-hydroxylases (HIFPH) which are Fe(II) and 2-oxoglutarate (2-OG) dependent oxygenases. Here, we discuss the first crystal structure of the catalytic domain of HIFPH in complexes, with the Fe(II)/2-OG at 1.8 ${\AA}$. These structures suggest that the L1 region (residues 236-253), which is also conserved in mammals, form a ‘lid’ that closes over the active site. The structural and mutagenesis analyses allow us to provide a focus for understanding cellular responses to hypoxia and a target for the therapeutic manipulation.

• Bulletin of the Korean Chemical Society
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• v.33 no.11
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• pp.3777-3787
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• 2012

Three kinds of 3D isomorphous and isostructural coordination polymers, namely, $\{[Ln_2(PDA)_3(H_2O)_3]{\cdot}0.25H_2O\}_{\infty}$ (Ln = La(1), Sm(2), and Gd(3)) ($PDA^{2-}$ = pyridine-2,6-dicarboxylate anion) have been synthesized under hydrothermal conditions and characterized by elemental analyses, IR spectroscopy, thermal analyses and single crystal X-ray diffraction. In these MOFs, Ln(III) centers adopt eight-coordinated and nine-coordinated with the $N_1O_7$ and $N_2O_7$ donor sets to construct distorted trianglar dodecahedron geometry and tricapped trigonal prism configurations, respectively. Based on the building block of tetranuclear homometallic $Ln_4C_4O_8$ unit (16-membered ring), 1-3 are connected into highly ordered 2D sheets via O-C-O linkers and further constructed into 3D architectures through hydrogen bonds. Crystallographic parameters suggest that the lanthanide contraction effect exist in these coordination polymers. Luminescent properties of the lanthanide-based MOFs (metal-organic frameworks) have been measured at room temperature, which reveal that they presenting ionselective characters toward certain metals, such as $Mg^{2+}$, $Cd^{2+}$ and $Pb^{2+}$ ions.

• Journal of the Optical Society of Korea
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• v.20 no.3
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• pp.401-406
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• 2016

This study first proposes a new version of a photonic crystal based de-multiplexer operating under the slow light regime, secondly analyses the structure numerically to demonstrate de-multiplexing operation and finally studies the impact of light speed on the performance of the proposed structure. The operation wavelength is 1.55 µm. The study indicates that, by adjusting the speed of light, around 0.1C, in the main waveguide and in the output channels’ waveguides, an enhancement in the performance of the de-multiplexer will be gained.

• Korean Journal of Crystallography
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• v.14 no.1
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• pp.24-24
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• 2003

• 한국정보디스플레이학회:학술대회논문집
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• 2005.07b
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• pp.1568-1571
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• 2005

We have evaluated thermal stability of a $BaAl_2Si_2O_8:Eu^{2+}$ $(BAS:Eu^{2+})$, which have polymorph property such as hexagonal, monoclinic structure depending upon firing temperature. When both polymorph $BAS:Eu^{2+}$ were baked in air at 500 $^{\circ}C$ for 30 min, the photoluminescence (PL) intensity of $monoclinic-BAS:Eu^{2+}$ was maintained of the initial intensity. However, the PL intensity of $hexagonal-BAS:Eu^{2+}$ decreased significantly, corresponding to about 34 %. From analyses of Rietveld refinement, the difference of thermal stability of both $BAS:Eu^{2+}$ can be ascribed to both crystal structure of host materials and the average interatomic distances between $Eu^{2+}$ ion and oxygen their crystal structure which plays a key role of shield for Eu2+ ions against oxidation atmosphere.

• Korean Journal of Crystallography
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• v.11 no.2
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• pp.84-88
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• 2000

The crystal of cholesteryl crotylcarbonate was investigated by X-ray diffraction method. Crystallographic data for the title compound: P21, a=13.510(2)Å, b=11.843(2)Å, c=19.882(2)Å, β=106.88(1)°, Z=4. Reflections were collected with an Enraf-Nonius CAD-4 diffractometer equipped with a graphite monochromator. The structure was solved by direct methods and refined by least-squares analyses. The final R value was 0.125 for 2607 reflections. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The molecules were stacked in clearly separated layers. At the center of the layers, there were cholesteryl-cholesteryl interactions between the symmetry-related B molecules and the cholesteryl-C(17) side chain of A molecules. There were also interactions between the C(17) side chain of B molecules and the crotylcarbonate chain in the interface region between layers. The crystal structure of the title compound turned out to be isostructural with those of cholesteryl ethylcarbonate and cholesteryl propylcarbonate.

• Korean Journal of Crystallography
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• v.11 no.4
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• pp.231-237
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• 2000

CMR Materials RE/sub 1-x/Ca/sub x/MnO₃(RE=La, Nd, A=Ca, Sr) were grown using the floating zone image furnace with halogen lamps as heat source. The growth condition was at 2∼10 mm/hr growth rate in air atmosphere, were 445∼50 rpm and 20∼25 rpm of rotation rate of feedrod and growing crystal, respectively. The grown crystals showed shiny black color and annealed at 1500℃ in a box furnace to release the residual stress during cooling. Characterization analyses of the crystal were carried out using XRD and SEM. The crystal structure of Nd/sub 0.7/Ca/sub 0.3/MnO₃ was analyzed with smart CCD XRD was lattice parameter of a=5.425(4)Å, b=5.434(4)Å, and c=7.712(5)Å, an orthorombic system with space group of pbnm.

• Bulletin of the Korean Chemical Society
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• v.31 no.7
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• pp.1875-1880
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• 2010

A dicycle pyrazoline derivative, 1-phenyl-5-(p-fluorophenyl)-3,4-($\alpha$-p-fluoro-tolylenecyclohexano) pyrazoline, was synthesized and characterized by elemental analysis, IR, UV-vis, fluorescence spectra and X-ray single crystal diffraction. Density function theory (DFT) calculations were performed by using B3LYP method with 6-$311G^{**}$ basis set. The optimized geometry can well simulate the molecular structure. Vibrational frequencies were predicted, assigned and compared with the experimental values, which suggest that B3LYP/6-$311G^{**}$ method can well predict the IR spectra. Both the experimental electronic absorption spectra and the predicted ones by B3LYP/6-$311G^{**}$ method reveal three electron-transition bands, with the theoretical ones having some red shifts compared with the experimental data. Natural bond orbital analyses indicate that the absorption bands are mainly derived from the contribution of n $\rightarrow\pi^*$ and $\pi\rightarrow\pi^*$ transitions. Fluorescence spectra determination shows that the title compound can emit blue-light at about 478 nm. On the basis of vibrational analysis, the thermodynamic properties of title compound at different temperature have been calculated, revealing the correlations between $C^0_{p,m}$, $S^0_m$, $H^0_m$ and temperature.