• Bulletin of the Korean Chemical Society
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• v.25 no.11
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• pp.1623-1624
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• 2004

• Journal of the Korean Applied Science and Technology
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• v.19 no.3
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• pp.222-244
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• 2002

A mixture of methyl ester derivatives of fatty acids from the oils of pine nuts was well resolved to five fractions differing by degree of unsaturation by silver ion solid-phase extraction column chromatography ($Ag^{+}$-SEC). Polyunsaturated fatty acid with non-methylene interrupted conjugated double bond (NMiDB) radical held more strongly to silver ions in the column than methylene interrupted conjugated double bond (MiDB) one when they had the same number of double bonds. Although both the picolinyl ester and DMOX derivative provided clear mass ion species powerful enough to elucidate the structure of the polyunsaturated fatty acid (PUFA) with NMiDB and/or methylene interrupted conjugated double bond (MiDB) radical in the oils, the picolinyl ester of PUFA with NMiDB radical did not provide a cluster of mass ions neighboring diagnostic mass ions induced by the double bond in the proximal to the carboxyl group. However, the DMOX derivative of PUFA with NMiDB group as well as MiDB showed abundant mass ion species differing by gaps of 12 amu, which made it possible with greater ease to locate the double bonds in the molecule. The oil contained $C_{18:2{\omega}6}$ (46.2 %) and $C_{18:1{\omega}9}$ (25.4 %) as main components, and considerable amounts of PUFAs with NMiDB radical such as ${\Delta}^{5.\;9.\;12}-C_{18:3}$ (16.0 %), ${\Delta}^{5.\;9}-C_{18:2}$ (2.3 %) and ${\Delta}^{5.\;11.\;14}-C_{20:3}$ (0.8 %).

• Macromolecular Research
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• v.14 no.3
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• pp.354-358
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• 2006

Polybutadiene (BR) was pyrolyzed at $540-860^{\circ}C$ and the effect of pyrolysis temperature on variations in the relative abundance of the major pyrolysis products (C4-, C5-, C6-, C7-, and C8-species) was investigated. Formation of the C4-, C5-, C6-, and C7-species competed with that of the C8-species. Relative intensity of the C8-species decreased with increasing pyrolysis temperature, while that of the C5-, C6-, and C7-species increased. Pyrolysis paths were became more complicated with increasing pyrolysis temperature. We suggested the operation of double bond migration and succeeding rearrangements for the formation of the C5- and C7-species and various rearrangements, including a double bond, for the formation of the C6-species at high temperature. The activation energies for the pyrolysis product ratios of(C5+C6+C7)/C4 and C8/C4 were used to explain the competition reactions to form the pyrolysis products.

• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.1851-1858
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• 2011

Details of the double-bond isomerization of 1-hexene over H-ZSM-5 were clarified using density functional theory. It is found that the reaction proceeds by a mechanism which involves the Br${\o}$nsted acid part of the zeolite solely. According to this mechanism, 1-hexene is first physically adsorbed on the acidic site, and then, the acidic proton transfers to one carbon atom of the double bond, while the other carbon atom of the double bond bonds with the Br${\o}$nsted host oxygen, yielding a stable alkoxy intermediate. Thereafter, the Br${\o}$nsted host oxygen abstracts a hydrogen atom from the $C_6H_{13}$ fragment and the C-O bond is broken, restoring the acidic site and yielding trans-2-hexene. The calculated activation barrier is 12.65 kcal/mol, which is in good agreement with the experimental value. These results well explain the energetic aspects during the course of double-bond isomerization and extend the understanding of the nature of the zeolite active sites.

• Korean Journal of Agricultural Science
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• v.35 no.1
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• pp.11-17
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• 2008

This study was conducted to isolate polyacetylenes from the Acanthopanax senticosus and to identify the chemical structure of the polyacetylenes by UV, IR, $^1H$-NMR and $^{13}C$-NMR. One of the liposoluble materials was extracted with petroleum ether. Polyacetylene compounds were collected through solvent fractionation at silica gel column chromatograph. The HPLC was used for the semi-preparative separation IR spectra of fraction 5 showed triple bonds at $2256cm^{-1}$ and double bond at $1654cm^{-1}$, respectively, $^1H$-NMR spectra of Fraction 5 showed the double bond at 5.35-5.48 ppm. Triple bond at 64.0. 71.2, 74.2, 80.2 ppm and double bond at 121.89, 133.0 ppm were observed in the $^{13}C$-NMR spectra.

• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1059-1060
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• 2003

• Journal of the Korean Chemical Society
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• v.20 no.2
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• pp.111-117
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• 1976

The configuration and conformation of methyl benzamidoxime have been studied from extended Huckel molecular orbital calculations.The results show that the E-configuration of the C=N double bond is favored compared with that of Z-configuration with the sp-conformation of the C-N bond rotamers, but Z-configuration is more stable with the ap-conformation of the C-N bond rotamers. The conformation of C-N bond with equal configuration of C=N bond and equal conformation of N-O bond, sp-form is favored, but the conformation of N-O bond with equal configuration and equal conformation of C-N bond ap-form is more stable. The major part of the stabilization energies can be accounted for by the electrostatic energies between the atoms involved.

• Structural Engineering and Mechanics
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• v.3 no.4
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• pp.299-312
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• 1995

A new reinforcing steel model which is embedded inside a concrete element and also accounts for the effect of bond-slip is developed. Unlike the classical bond-link or bond-zone element using double nodes, the proposed model is considering the bond-slip effect without taking double nodes by incorporation of the equivalent steel stiffness. After calculation of nodal displacements, the deformation of steel at each node can be found through the back-substitution technique from the first to the final steel element using a governing equation constructed based on the equilibrium at each node of steel and the compatibility condition between steel and concrete. This model results in significant savings in the number of nodes needed to account for the effect of bond-slip, in particular, when the model is used for three dimensional finite element problems. Moreover a new nonlinear solution scheme is developed in connection with this model. Finally, correlation studies between analytical and experimental results and several parameter studies are conducted with the objective to establish the validity of the proposed model.

• Journal of the Korean Applied Science and Technology
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• v.14 no.1
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• pp.61-76
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• 1997

Triacylglycerols of the seeds of Ginkgo biloba have been resolved by high-performace liquid chromatography(HPLC} in the silver-ion and reverse-phase modes. The fatty acids were identified by a combination of capillary gas chromatography and gas-chromatography /mass spectrometry as the methyl and /or picolinyl ester. The main components are $C_{18:2{\omega}6}$(39.0mol%), $C_{18:1{\omega}7}$(asclepic acid 21.5mol%), and $C_{18:1{\omega}9}$(oleic acid, 13.8mol%). Considerable amounts of unusual acid such as $C_{20:3{\Delta}^{5,11,14}$ (5.7mol%), $C_{18:2{\Delta}^{5,9}$(2.8mol%), and $C_{18:3}{\Delta}^{5,9,12}$(1.6mol%), were checked. In addition, an anteiso-branched fatty acid, 14-methylhexadecanoic acid, was also present as a minor component(0.9 mol%). The triacylglycerols were separated into 17 fractions by reverse-phase HPLC, and the fractionation was achieved according to the partition numnber(PN) in which a ${\Delta}^5$-non methylene interrupted double bond($^5$-NMDB) showed different behaviour from a methylene interrupted double bond in a molecule with a given cahinlength. Silver-ion HPLC exhibited excellent resolution in which fractions(23 fractions) were resolved on the basis of the number and configuration of double bonds. In this instance, the strength of interaction of a ${\Delta}^5$-NMDB system with silver ions seemed to be weaker than a methylene interrupted double bond system. The principal triacylglycerol species are as follows ; $(C_{18:2{\omega}6)2}/C_{18:1{\omega}7}$, $C_{18:1{\omega}9}/C_{18:1{\omega}7}/C_{18:2{\omega}6}$, $(C_{18:1{\omega}7)2}/C_{18:2{\omega}6}$, $C_{16:1{\omega}7}/C_{18:1{\omega}9}/C_{20:3}{\Delta}^{5,11,14}$, $C_{16:1{\omega}7}/C_{18:1{\omega}7}/C_{20:3}{\Delta}^{5,11,14}$, $C_{18:1{\omega}9}/C_{18:1{\omega}7}/C_{18:2{\omega}6}$, $C_{18:1{\omega}9}/C_{18:2}{\Delta}^{5,5}/C_{20:3}{\Delta}^{5,11,14}$, $(C_{18:1{\omega}7)2}/C_{18:2{\omega}6}$ and $(C_{18:1{\omega}9)2}/C_{18:2{\omega}6}$, while simple triacylglycerols without $C_{18:2{\omega}6})_3$ were not present. Stereospecific analysis showed that fatty acids with ${\Delta}^5$-NMDB system and saturated chains were predominantly located at the site of sn-3 carbon of glycerol backbones. It is evident that there is asymmetry in the distribution of fatty acids in the TG molecules of Ginkgo nut oils.

• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3274-3278
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• 2013

$CF_2Cl{\cdots}Cl$, an elusive photo-isomer of $CF_2Cl_2$, has been observed in matrix IR spectra from the precursors exposed to radiation from laser ablation of transition-metals. Other plausible products, $CFCl_2{\cdots}F$ and $FClC{\cdots}F-Cl$ are not detected due to their considerably higher energies. Parallel to its previously reported analogues, the C-X bonds are considerably stronger than those of the reactant, and particularly the Cl atom that is weakly bound to the residual Cl atom forms an unusually strong carbon-halogen bond. NBO analysis reveals that the C-Cl bond is a true double bond, and the weak $Cl{\cdots}Cl$ bond is largely ionic, $F_2C=Cl^{\delta+}{\cdots}Cl^{\delta-}$. IRC computation reproduces smooth inter-conversion between the reactant and product, and the transition state is energetically close to the product, consistent with its prompt disappearance in the early stage of photolysis.