• Journal of Integrative Natural Science
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• v.8 no.4
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• pp.273-284
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• 2015

Chemoattractant Receptor Homologous molecule expressed on Th2 cells (CRTh2) is a chemoattractant receptor with seven transmembrane helices targeted for inflammatory diseases such as asthma and allergic rhinitis. In this study, pharmacophore based Comparative Molecular Similarity Indices Analysis (CoMSIA) were performed on the series of 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl) acetic acids derivatives. Initially, GASP module was used for generation of pharmacophore models using five highly active compounds from the dataset. Among the generated pharmacophores, the best pharmacophore model was selected based on fitness score and was used as template for the alignment of compounds which was used for CoMSIA analysis. The best predictions were obtained utilizing steric, hydrophobic and H-bond acceptor parameters showing a $q^2$=0.559 and $r^2$=0.730. 15 test set compounds was used to investigate the predictive ability of the CoMSIA model. Contour maps suggested that presence of bulky substituents and H-bond acceptor atoms at $5^{th}$ position of benzene ring will increase the activity of the compounds. The results obtained from this study will be useful to design more potent CRTh2 antagonists.

• ETRI Journal
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• v.16 no.3
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• pp.1-10
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• 1994

Undoped GaAs has been successfully grown by chemical beam epitaxy (CBE) via surface decomposition process using arsine $(AsH_3)$ and trimethylgallium (TMG). Three distinct regions of temperature-dependent growth rates were identified in the range of temperatures from 570 to $690^{\circ}C$. The growth rates were found strongly dependent on the V/III ratio between 5 and 30. The growth rate at low V/III ratio seems to be determined by arsenic produced on the surface, whereas at high V/III ratio it shows dependence on the adsorption of TMG. Hall measurement and photoluminescence (PL) analysis show that the films are all p-type and that carbon impurities are primarily responsible for the background doping. Carbon concentrations have been found to be reduced by two orders of magnitude as compared to those of epilayers grown by CBE which employs TMG and arsenic obtained from precracked $AsH_3$ in a high temperature cell. It was also found that hydrogen atoms dissociated from unprecracked $AsH_3$ play an important role in removing hydrocarbon-containing species resulting in a significant reduction of car-bon impurities.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.6-10
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• 2005

A novel potential linking ligand (4-nitro-benzylidene)-(3-nitro-phenyl)-amine (1) was prepared from 4-nitrobenzaldehyde and 3-nitroaniline by the Schiff-base condensation. From the reaction between 1 and dichlorobis(benzonitrile)palladium (II) $(PdCl_2(NCPh)_2)$, an unexpected product $trans-PdCl_2(NO_2-C_6H_4-NH_2)_2$ (2) was isolated. Compounds 1 and 2 were structurally characterized by X-ray diffraction. In compound 2, the $NH_2$ hydrogen atoms in the 3-nitroaniline ligand participate in intermolecular N-H${\cdot}\;{\cdot}\;{\cdot}\;$Cl hydrogen bonds.

• Journal of Life Science
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• v.9 no.2
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• pp.44-48
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• 1999

The ionization of tyrosine residue is known to be involved in the stabilization of transition-state in catalysis of astacin based upon the astacin-transition state analog structure. Two tyrosine residues, Tyr-216 and Tyr-219, are conserved in all MMPs related with astacin family, We replaced Tyr-216 and Tyr-219 into phenylalanine, respectively and the zinc binding properties, kinetic parameters, and pH dependence of each mutant are determined in order to examine the role of tyrosine residue in matrilysin catalysis. Both mutants contain two zinc atoms per mol of enzyme, indicating that either tyrosime does not affect the zinc binding property of the enzyme. Y216F and Y219F mutants are highly active and the kcat/Km values are only decreased 1.1-1.5-fold compared to the wild-type enzyme. The decrease in the activity of the mutants is essentially due to the increase in Km value. The pH dependencies of the kcat/Km values for both mutants are similar to the corresponding dependencies obtained with the wild type enzyme. The pKa values at the alkaline side of both mutants are not changed. These kinetic and pH dependence results indicate that the ionization of active site tyrosine residue of matrilysin is not reflected in the kinetics of peptide hydrolysin as catalyzed by astacin.

• Journal of the Korean Chemical Society
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• v.7 no.4
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• pp.293-298
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• 1963

The crystal structure of ethylenediamine dihydrochloride has been determined by the two-dimensional Patterson methods and refined by two-dimensional Fourier syntheses. The unit cell dimensions are a = 4.44${\pm}$0.02, b = 6.88${\pm}$0.02, c = 9.97${\pm}$0.02 ${\AA}$, ${\beta}$ = 92${\pm}$$1^{\circ}$. The space group is $P2_1_{/c}$. The carbon and nitrogen atoms in the ethylenediamine itself lie on one plane and its structure has a trans-form with a centre of symmetry in it, and C-C distance of 1.54 ${\AA}$, C-N distance of 1.48${\AA}$ and C-C-N bond angle of $109.07^{\circ}$. The molecules are linked by N-H${\cdots}$Cl hydrogen bonds with distance of 3.14, 3.16 and 3.22 ${\AA}$ forming three dimensional network. The values of reliability factor for F(okl), F(hol) and F(hko) are 0.11, 0.10 and 0.09 respectively.

• Journal of Advanced Marine Engineering and Technology
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• v.23 no.3
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• pp.360-368
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• 1999

The paper describes spectroscopic characteristics of plasma induced in the pulsed YAG laser welding of alloys containing a large amount of volatile elements. The authors have conducted the spectroscopic analyses of laser induced Al-Mg alloys plasma in the air and argon atmosphere. In the air environment the identified spectra were atomic lines of Al, Mg, Cr, Mn, Cu, Fe and Zn and singly ionized Mg lines as well as the intense molecular spectra of ALO and MgO formed by chemi-cal reactions of evaporated Al and Mg atoms from the pool surface with oxygen in the air. In argon atmosphere MgO and AlO spectra vanished but AlH spectrum was detected. the hydrogen source was presumable hydrogen dissolved in the base metals water absorbed on the surface oxide layer or $H_2$ and $H_2O$ in the shielding gas. The resonant lines of Al and Mg were strongly self-absorbed in particular self-absorption of the Mg line was predominant. These results show that the laser induced plasma was made of metallic vapor with relatively low temperature and high density.

• Archives of Pharmacal Research
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• v.3 no.1
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• pp.37-49
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• 1980

Chlorpropamide, $C_{10}H_{13}N_{2}O_{3}SCI$, forms orthofombic crystals of space group $P_{2}_{ 1}2_{1}2_{1}$ with a 9.066 $\pm$ 0.004, b = 5.218 $\pm$ 0.003, c = 26, 604 $\pm$, 0.008 $\AA$, and four molecules per cell. Three dimensional photographic data were collected with Mo-K$\alpha$ radiation. The structure was determined using Patterson, Fourier and Difference syntheses methods and refined by the block-diagonal least-squares methods with anisotropic thermal parameters for all nonhydrogen atoms and isotropic thermal parameters for all hydrogen atomes. The final R value was 0.10 for the 1823 observed independent reflections. The dihedral angle between the planes through the benzene ring and the urea goup is 99$^{\circ}$. The conformational angle formed by the projection of the S-C(1) with that of N(1)-C(7) when the projection is taken along the S-N(1) bond is 76$^{\circ}$. The molecule appears to form with neighbouring molecules two hydrogen bonds, N(1)..H...O(3) and N(2)-H...0(2) of lengths 2.774 and 2.954$\AA$ respectively related by screw diads parallel to the a axis. Adjacent molecules parallel to b and c axis are bound together by van der Wasls forces.

• Bulletin of the Korean Chemical Society
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• v.34 no.10
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• pp.3093-3097
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• 2013

The synthesis, X-ray crystallography, spectroscopic (IR, UV-vis), and electrochemical properties of the title compound, $[H_3O][Cr(dipic)_2][H_3O^+.Cl^-]$ (1), ($H_2dipic$ = 2,6-pyridinedicarboxylic acid), are reported. This complex crystallizes in the monoclinic space group Cc with a = 14.9006(10) ${\AA}$, b = 12.2114(8) ${\AA}$, c = 8.6337(6) ${\AA}$, ${\alpha}=90.00^{\circ}$, ${\beta}=92.7460(10)^{\circ}$, ${\gamma}=90.00^{\circ}$, and V = 1569.16(18) ${\AA}^3$ with Z = 4. The hydrogen bonding and noncovalent interactions play roles in the stabilization of the structure. In order to gain a better understanding of the most important geometrical parameters in the structure of the complex, atoms in molecules (AIM) method at B3LYP/6-31G level of theory has been employed.

• Journal of Powder Materials
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• v.12 no.1
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• pp.36-42
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• 2005

Four different mechanical alloying(MA) processes were employed to fabricate very fine intermetallic compound $Al_3Zr$ particles dispersed Al composite materials(MMC) with Al-4at.%Zr composition. Phase transformations including phase stability during MA and heat treatment processes were investigated. Part of Zr atoms were dissolved into Al matrix and part of them reacted with hydrogen produced by decomposition of PCA(methanol) to form hydride $ZrH_2$ during first MA process. These $ZrH_2$ hydrides disappeared when alloy powders were heat treated at $500^{\circC}$. Stable $Al_3Zr$ dispersoids with $DO_23$ structure were formed by heat treating the mechanically alloyed powders at $400^{\circC}$. On the other hand, metastable $Al_3Zr$dispersoids with $L1_2$ structure were formed during first MA of powers with Al-25at.%Zr composition. These metastable $Al_3Zr$ dispersoids transformed to stable $Al_3Zr$ with $DO_23$ structure when heat treated above $450^{\circC}$.

• Transactions of the Korean hydrogen and new energy society
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• v.22 no.6
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• pp.787-793
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• 2011

A 76.5wt%Mg - 23.5wt%Ni (Mg-23.5Ni) sample was prepared by reactive mechanical grinding (RMG) and its hydriding and dehydriding properties were then investigated. Activation of the Mg-23.5Ni sample was completed only after two hydriding (under 12 bar $H_2$) - dehydriding (under 1.0 bar $H_2$) cycles at 593K. The reactive mechanical grinding of Mg with Ni is considered to facilitate nucleation and shorten diffusion distances of hydrogen atoms. After hydriding - dehydriding cycling, the Mg-23.5Ni sample contained Mg2Ni phase.