• Bulletin of the Korean Chemical Society
• /
• v.31 no.12
• /
• pp.3521-3524
• /
• 2010

MTH1880 is a hypothetical protein derived from Methanobacterium thermoautotrophicum, thermophilic methanogen. The solution structure determined by NMR spectroscopy showed that it has a novel $\alpha+\beta$-fold with a highly acidic ligand binding pocket. Since MTH1880 maintains its ultra-stable structural characteristics at both high temperature and pressure, it has been considered as an excellent model for studying protein folding. To initiate the structural and folding study of MTH1880 in proving its unusual stability, we performed the site directed mutagenesis and biochemical analysis of MTH1880 mutants. Data from circular dichroism and NMR spectroscopy suggest that the point mutations perturbed the structural stability of protein even though the secondary structure is retained. This study will provide the useful information in understanding the role of participating residues during folding-unfolding process and our result will be used in designing further folding experiments for hyper-thermopile proteins like MTH1880.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.5
• /
• pp.1429-1434
• /
• 2013

A synthesis and cation-induced fluorescent behavior of the carbazole-attached $NO_2S_2$-macrocycle (L) is described and structurally characterized by single crystal X-ray analysis. The photoluminescence spectrum of L in 80% $CH_3CN/CH_2Cl_2$ displays a peak maximum at 431 nm (blue emission). In the metal-induced fluorometric experiment, L showed a drastic chelation-enhanced fluorescence quenching (CHEQ) effect only with $Hg^{2+}$ and $Cu^{2+}$. In ESI-mass study, a 1:1 stoichiometry for complexation of L with $Hg^{2+}$ was confirmed, suggesting the unique sensing behavior of the proposed ligand L due to the selective complexation affinity for $Hg^{2+}$. The observed results indicate that L is a promising turn-off type fluoroionophore for $Hg^{2+}$ and $Cu^{2+}$ detections. Additionally, the $Ag^+$ complex of the precursor macrocycle was prepared and its solid structure was crystallographically characterized.

• Bulletin of the Korean Chemical Society
• /
• v.27 no.1
• /
• pp.87-92
• /
• 2006

Fas-associated death domain protein (FADD) recruits and activates procaspase-8 through interactions between the death effector domains of these two proteins. Cellular FLICE-inhibitory protein (c-FLIP) was identified as a molecule with sequence homology to caspase-8. It has been postulated that c-FLIP prevents formation of the competent death-inducing signaling complex in a ligand-dependent manner, through its interaction with FADD and/or caspase-8. However, the interaction of FADD and $c-FLIP_s$ (short form) in apoptosis signaling has been controversially discussed. We show the purification and the characterization of human full-length FADD and $c-FLIP_s$ expressed in Escherichia coli. The purified FADD and $c-FLIP_s$ are shown as homogeneity, respectively, in SDS-PAGE analysis and light-scattering measurements. The folding properties of the $\alpha$-helical structure of FADD and the super-secondary structure of $c-FLIP_s$ proteins were characterized by circular dichroism spectroscopy. Furthermore, we report here a series of biochemical and biophysical data for FADD-$c-FLIP_s$ binding in vitro. The binding of both FADD and $c-FLIP_s$ proteins was detected by BIAcore biosensor, fluorescence measurement, and size-exclusion column (SEC).

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2003.11a
• /
• pp.71-75
• /
• 2003

Carbon nanotubes(CNTs) are grown by using Co catalyst metal. CNTs fabricated by PECVD(plasma enhanced chemical vapor deposition) method are studied in terms of surface reaction and surface structure by TEM and Raman analysing method and are analysed in its electrical field emission characteristics with variation of space between anode and cathode. Acetylene($C_2H_2$) gas is used as the carbon source, while ammonia and hydrogen gas are used as catalyst and dilution gas. The CNTs grown by hydrogen($H_2$) gas plasma indicates better vertical alignment, lower temperature process and longer tip, compared to that grown by ammonia($NH_3$) gas plasma. The CNTs fabricated with Co(cobalt) catalyst metal and PECVD method show the multiwall structure in mid-circle type in tip-end and the inner vacancy of 10nm. Emission properties of CNTs indicate the turn-on field to be $2.6\;V/{\mu}m$. We suggest that CNTs can be possibly applied to the emitter tip of FEDs and high brightness flat lamp because of low temperature CNTs growth, low turn-on field.

• Bulletin of the Korean Chemical Society
• /
• v.13 no.2
• /
• pp.127-131
• /
• 1992

Changes in network structures of ${\alpha}-Nb_2O_5$ in the X MgO+(1-X) ${\alpha}-Nb_2O_5$ solid solutions occurring as the MgO doping level (X) was varied were investigated by means of infrared spectroscopy and X-ray analysis. X-ray diffraction revealed that all the synthesized specimens have the monoclinic structure. The FT-IR spectroscopy showed that the system investigated forms the solid solutions in which $Mg^{2+}$ ions occupy the octahedral sites in parent crystal lattice. Electrical conductivities were measured as a function of temperature from 600 to $1050{\circ}$ and $P_{O2}$ form $1{\times}10^{-5}$ to $2{\times}10^{-1}$ atm. The defect structure and conduction mechanism were deduced from the results. The $1}n$ value in ${\alpha}{\propto}{P_{O2}^{1}n}}$ is found to be -1/4 with single possible defect model. From the activation energy ($E{\alpha}$ = 1.67-1.73 eV) and the1/n value, electronic conduction mechanism is suggested with a doubly charged oxygen vacancy.

• Bulletin of the Korean Chemical Society
• /
• v.20 no.1
• /
• pp.35-41
• /
• 1999

Stability characteristics of hyperbolic reaction-diffusion equations with a reversible Brusselator model are investigated as an extension of the previous work. Intensive stability analysis is performed for three important parameters, Nrd, β and Dx, where Nrd is the reaction-diffusion number which is a measure of hyperbolicity, β is a measure of reversibility of autocatalytic reaction and Dx is a diffusion coefficient of intermediate X. Especially, the dependence on Nrd of stability exhibits some interesting features, such as hyperbolicity in the small Nrd region and parabolicity in the large Nrd region. The hyperbolic reaction-diffusion equations are solved numerically by a spectral method which is modified and adjusted to hyperbolic partial differential equations. The numerical method gives good accuracy and efficiency even in a stiff region in the case of small Nrd, and it can be extended to a two-dimensional system. Four types of solution, spatially homogeneous, spatially oscillatory, spatio-temporally oscillatory and chaotic can be obtained. Entropy productions for reaction are also calculated to get some crucial information related to the bifurcation of the system. At the bifurcation point, entropy production changes discontinuously and it shows that different structures of the system have different modes in the dissipative process required to maintain the structure of the system. But it appears that magnitude of entropy production in each structure give no important information related for states of system itself.

• Bulletin of the Korean Chemical Society
• /
• v.17 no.8
• /
• pp.700-706
• /
• 1996

We present the results of molecular dynamics simulations of monolayers of long-chain alkyl thiol [S(CH2)15CH3] molecules on an air-solid interface using the extended collapsed atom model for the chain-molecule and a gold surface for the solid surface. Several molecular dynamics simulations have been performed on monolayers with areas per molecule ranging from 18.30 to 32.10 Å2/molecule. It is found that there exist three possible transitions: a continuous transition characterized by a change in molecular configuration without change in lattice structure, a sudden transition characterized by the distinct lattice defects and perfect islands, and a third transition characterized by the appearance of a random, liquid-like state. The analysis of probability distributions of the segments shows that the structure of the chain-molecules at the air-solid interface is completely different from that at the air-water interface in the view of the degree of overlap of the probability distributions of the neighbor segments. The calculated diffusion coefficients of the chain-molecules on the monolayers seem to be not directly related to any one of the three transitions. However, the large diffusion of the molecules enhanced by the increment of the area per molecule may induce the second transition.

• Bulletin of the Korean Chemical Society
• /
• v.14 no.6
• /
• pp.722-726
• /
• 1993

Organotin(IV) complexes of ylidenemalonates $(R_xSn)_{x-1}(O_2C)_2C=C(SR')_2\;(R=n-C_4H_9,\;C_6H_5,\;cyclo-C_6H_{11},\;CH_3OOCCH_2CH_2;\;x=2,3;\;R'=CH_3,\;R_2'=-CHCH-,\;-CH_2CH_{2^-})$ have been synthesized and characterized by means of various spectroscopic methods. The X-ray crystal structure of $(Ph_3Sn)_2(O_2C)_2C=C(SCH_3)_2$ has been determined (Pi; a= 9.704(2) ${\AA}$, b= 14.412(1) ${\AA}$, c= 14.760(3) ${\AA}$, ${alpha}$=74.26(1)$^{\circ}$, ${beta}$=99.38(l)$^{\circ}$, ${\gamma}$=79.09(1)$^{\circ}$, $V= 1950.7(7){\AA}^3$) and refined to R= 0.045. The crystal structure discloses a discrete molecule with bidentate-like carboxylate ligand. For diorganotin analogues, the structures are discussed in terms of IR, $^1H-NMR,\;^{13}C-NMR$, and FAB mass spectrometry. The mass spectrum indicates that the diorganotin complexes of ylidenemalonates are dimeric.

• Journal of Hydrogen and New Energy
• /
• v.30 no.1
• /
• pp.49-57
• /
• 2019

Biomass, a carbon-neutral fuel, has great advantages because it can replace fossil fuels to reduce greenhouse gas emissions. However, due to its low density, high water content, and hydrophilicity, biomass has disadvantages for transportation and storage. To improve these properties, a pretreatment process of biomass is required. One of the various pre-treatment technologies, torrefacion, makes biomass similar to coal through low-temperature pyrolysis. In this study, torrefacion treatment was carried out at 200, 230, 250, 280, and $300^{\circ}C$ for wood pellet, empty fruit bunch (EFB) and kenaf, and the feasibility of replacing coal with fuel was examined. Hygroscopicity tests were conducted to analyze the hydrophobicity of biomass, and its chemical structure changes were investigated using Infrared spectrum analysis. It was confirmed that the hygroscopicity was decreased gradually as the torrefacion temperature increased according to the hygroscopicity tests. The hydrophilicity was reduced according to the pyrolysis of hemicellulose, cellulose, and lignin of biomass.

• Journal of the Korean Chemical Society
• /
• v.63 no.3
• /
• pp.160-165
• /
• 2019

A series of reactions between an amino alcoholic ligand, cis-2-((2-((2-hydroxyethyl)amino)ethyl)amino)cyclohexan-1-ol (HEAC), with the mixtures of group 12 metals including, $HgCl_2/CdCl_2$, $HgCl_2/CdI_2$, $ZnCl_2/CdCl_2$ and $ZnCl_2/CdCl_2/HgCl_2$ was experimentally and theoretically studied to determine the most stable product of these reactions. Furthermore, the Cambridge Structural Database (CSD) studies were done to evaluate the theoretical results. The products were characterized by elemental analysis, FT-IR, Raman, $^1H$ NMR spectroscopy and single-crystal X-ray diffraction. Based on these investigations a binuclear structure of cadmium, [$Cd_2(HEAC)_2({\mu}-Cl)_2Cl_2$] (1), is the most stable product that was formed in all studied reactions between HEAC and metals mixtures. In this structure, the cadmium atom has a $CdN_2O({\mu}-Cl)_2Cl$ environment and distorted octahedral geometry.