• Bulletin of the Korean Chemical Society
• /
• v.35 no.7
• /
• pp.2013-2018
• /
• 2014

The adsorption and decomposition of trimethylene oxide ($C_3H_6O$) molecule on the Al(111) surface were investigated by the generalized gradient approximation (GGA) of density functional theory (DFT). The calculations employed a supercell ($6{\times}6{\times}3$) slab model and three-dimensional periodic boundary conditions. The strong attractive forces between $C_3H_6O$ molecule and Al atoms induce the C-O bond breaking of the ring $C_3H_6O$ molecule. Subsequently, the dissociated radical fragments of $C_3H_6O$ molecule oxidize the Al surface. The largest adsorption energy is about -260.0 kJ/mol in V3, V4 and P2, resulting a ring break at the C-O bond. We also investigated the decomposition mechanism of $C_3H_6O$ molecules on the Al(111) surface. The activation energies ($E_a$) for the dissociations V3, V4 and P2 are 133.3, 166.8 and 174.0 kJ/mol, respectively. The hcp site is the most reactive position for $C_3H_6O$ decomposing.

• Bulletin of the Korean Chemical Society
• /
• v.19 no.6
• /
• pp.667-671
• /
• 1998

A series of 1-aryl-lH-pyrazolo[4,3-c]quinolines and 2-aryl-2H-pyrazolo[4,3-c]quinolines are prepared by reacting 3-acyl-4-chloroquinolines in ethanol or 3-acyl-4(lH)-quinolone in acetic acid with appropriate hydrazines as possible anti-ulcer agents. A regiospecific synthesis of 1-aryl-lH-pyrazolo[4,3-c]quinolines is also achieved. The central pyridine ring could be easily reduced by catalytic hydrogenation.

• Biomedical Science Letters
• /
• v.18 no.3
• /
• pp.307-309
• /
• 2012

(S)-(+)-3(3,4-dihydroxy-phenyl)-acrylic acid 2,2-dimethyl-8-oxo3,4-dihydro-2H,8H-pyrano[3,2-g]Chromen-3-yl-ester (Compound 6, C6) is synthesized from (S)-(+)-decursin and attenuates the pathophysiologic progression of asthma in a ovalbumin-induced asthmatic mouse model. In the present study, we examined the effect of C6 on spontaneous apoptosis of eosinophils and neutrophils of normal and asthmatic subjects. C6 increased the apoptosis of asthmatic eosinophils in a dose-dependent manner, but it inhibited neutrophil apoptosis. C6 has no effect on apoptosis of normal eosinophils and neutrophils. LY294002, an inhibitor of PI3K, rottlerin, an inhibitor of $PKC{\delta}$, Ro-31-8425, an inhibitor of classical PKC inhibitor, PD98059, an inhibitor of MEK, and BAY 11-7085, an inhibitor of NF-${\kappa}B$, blocked the inhibitory effect on apoptosis of asthmatic neutrophils due to C6. These results indicate that C6 may be valuable as a therapeutic agent for the treatment of asthma.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.15 no.2
• /
• pp.86-91
• /
• 2005

The layered structure of organic-inorganic perovskite hybrids, $(C_nH_{2n+1}NH_3)_2CuC1_4$ (n = 6, 8, 10, 12) have synthesized. In $(C_nH_{2n+1}NH_3)_2CuC1_4$ compounds, the long-chain protonated alkylammonium ions as tilted bilayer type are inserted into perovskite-type layers of corner sharing $CuCl_6$ octahedron. Three solid phases have been characterized in the perovskite layered compound $(C_nH_{2n+1}NH_3)_2CuC1_4$ using HT-XRD and DSC. The $(C_nH_{2n+1}NH_3)_2CuC1_4$ compounds shows solid-solid phase transitions with stepwise increasing of the layer distance. Three different structures are explained by the conformational change of the long-chain protonated alkylammonium ions.

• Journal of the Korean Chemical Society
• /
• v.63 no.3
• /
• pp.216-219
• /
• 2019

• Transactions of the Korean Society of Mechanical Engineers
• /
• v.10 no.1
• /
• pp.131-137
• /
• 1986

Cutting oil cools the chip and a tool as well as lubricates the chip-tool interface, the flank and machined surface. Rehbinder effect has been known as a phenomenon, the reduction of mechanical strength, when the metal is exposed to a polar organic environment or the surface of metal is coated with some polar organic substances. About the cause of Rehbinder effect there have been many different ideas by Rehbinder, Shaw, Barlow, Sakida and etc. In this report, the efect of polar organic substance( $C_{6}$ $H_{5}$C $H_{3}$+ $C_{6}$ $H_{4}$(C $H_{3}$)$_{2}$+ $C_{4}$ $H_{9}$OH+ $C_{6}$ $H_{12}$ $O_{2}$) (magic ink) upon the mechanism of chip formation on the orthogonal cutting of copper and mechanical properties of the work material are experimentally discussed with various rake angles. As expected no lubrication action could be noticed, but the shear angle increased and the cutting force and shear strain on the shear plane decreased, therefore the work material must be embrittled under polar organic substance.substance.

• YAKHAK HOEJI
• /
• v.31 no.4
• /
• pp.219-223
• /
• 1987

2-Cyclohexylimino-3-cyclohexyl-5-methyl-4-oxo-2H, 5H-1, 3-oxazino [5,6-C]-1, 2-benzothiazine-6,6-dioxide 2 was hydrolized in d-HCl/$CH_3$CN to give 5-methyl-3-cyclohexyl-2H, 5H-1, 3-oxazino [5, 6-C]-1, 2-benzothiazine-2, 4(3H)-dione 6, 6-dioxide 3 in 82% yield. The alkaline hydrolysis of 3 afforded to 4-hydroxy-2-methyl-N-(cyclohexyl)-2H-1, 2-benzothiazine-3-carboxamide-1, 1-dioxide 4 in 88% yield. On the other hand 3 was synthesized from 4 and ethylchloroformate on the reversed procedure.

• Bulletin of the Korean Chemical Society
• /
• v.8 no.2
• /
• pp.102-105
• /
• 1987

2-Methoxy-6-methyl-3,4-dihydro-2H-pyran ($1_a$), 2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyran ($1_b$), and 2-ethoxy-3-methyl-6-ethyl-3,4-dihydro-2H-pyran ($1_c$) were prepared by (4 + 2) cycloaddition reaction from the corresponding vinyl ketones and alkyl vinyl ethers. Compounds $1_{a-c}$ were ring-open polymerized by cationic catalyst to obtain alternating head-to-head (H-H) copolymers. For comparison, copolymer of head-to-tail (H-T) was also prepared by free radical copolymerization of the mixture of the corresponding monomers. The H-H copolymer exhibited some differences in its $^1H$ NMR and IR spectra. However, significant differences were showed between the H-H and H-T copolymers in the $^{13}C$ NMR spectra. Also noteworthy was that$T_g$ value of H-H copolymer was higher than that of the corresponding H-T structure. Decomposition temperature of the H-H copolymer was lower than that of the H-T copolymer. All the H-H and H-T copolymers were soluble in common solvents.

• Journal of the Korean Chemical Society
• /
• v.51 no.6
• /
• pp.499-505
• /
• 2007

Monomeric complexes of nickel(II) having terdentate bis(imino)aryl ligands (N,C,N-pincer) are reported. New complexes (2,6-(ArN=CH)2C6H3)NiBr (Ar=2,6-dimethylphenyl (1), 2,6-diisopropylphenyl (2)) have been synthesized through oxidative addition of 1,3-(ArN=CH)2C6H3Br (bis(N-Ar)-2-bromoisophthalaldimine: Ar=Ph-2,6-Me2, Ph-2,6-iPr2) to Ni(COD)2 (COD=1,5-cyclooctadiene), in high yields. The development of a synthetic route to ligands and nickel complexes is outlined. The complexes were characterized by IR, 1H-NMR and elemental analysis. Full characterization of complexes 1 and 2 is discussed. An investigation into the catalytic activity of the complexes in ethylene polymerization was performed, resulting in no formation of polyethylenes but producing a small amount of oily oligomers. Preliminary results indicate that the pincer complexes were found to be inactive as catalysts in ethylene polymerization.

• Journal of the Korean Chemical Society
• /
• v.40 no.3
• /
• pp.161-166
• /
• 1996

6-ethyl-5,6-dihydrouracil($C_6H_10N_2O_2$) is monoclinic, space group $$P2_{1}c}$$ with a=10.302(2), b=10.419(3), $c=7.095(1)\AA$, $\beta=106.6(0)$, Z=4, $V=729.7(3)\AA$^3$$, $D_c=1.29 g/cm^3,\;{\lambda}(MoK\alpha)=0.71073\AA$, $\mu=0.010cm^{-1}$, F(000)=304, and R=0.054 for 1070 unique observed reflection with F>4.0 $\sigma(F).$ The structure was solved by direct methods and refined by full-matrix least-squares refinement with the fixed C-H bond length at $0.96\AA.$ The hydrouracil molecule makes an envelope conformation with the ethyl substituent oriented to an axial position attainable to a varying degree of steric strain. There are two intermolecular hydrogen-bondings via N-H---O interactions, being nearly parallel to the 100 plane. The shortest distance between molecules is $3.187\AA$ of C(4) and O(8) (-x,-y, 1-z).