• Bulletin of the Korean Chemical Society
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• v.23 no.1
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• pp.107-111
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• 2002

The OSS2 (Oj？me-Shavitt-Singer 2)[L. Oj？me et al., J. Chem. Phys. 109, 5547 (1998)] model for the solvated proton in water is examined for $H_2O,\;H_3O^+,\;H_5O_2^+,\;H_7O_3^+,\;and\;H_9O_4^-$ by molecular dynamics (MD) simulations. The equilibrium molecular geometries and energies obtained from MD simulations at 5.0 and 298.15 K agree very well with the optimized calculations.

• Journal of Integrative Natural Science
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• v.6 no.1
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• pp.34-38
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• 2013

Tributyltin hydride ($n-Bu_3SnH$), an endocrine disruptor, was slowly polymerized by the group 4 ${Cp^{\prime}}_2TiCl_2/N$-selectride (Cp' = $C_5H_5$, Cp; $Me-C_5H_4$, Me-Cp; $Me_5C_5$, $Cp^*$) catalyst combination to give two phases of products: one is an insoluble cross-linked solid, polystannane in 3-25% yield as minor product via disproportionation/dehydrocoupling combination process, and the other is an oil, hexabutyldistannane in 65-90% yield as major product via simple dehydrocoupling process. Disproportionation/dehydrocoupling process first produced a low-molecular-weight oligostannane possessing partial backbone Sn-H bonds which then underwent an extensive cross-linking reaction of backbone Sn-H bonds, resulting in the formation of an insoluble polystannane. The disproportionation/dehydrocoupling of a tertiary hydrostannane mediated by early transition metallocene/inorganic hydride is quite unusual and applicable.

• Archives of Pharmacal Research
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• v.19 no.6
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• pp.507-513
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• 1996

Three sesquiterpene lactone compounds, two novel(1.betha.,3.betha.-dihydroxy-6.betha.,11.betha.,4.alpha.,5.alpha.,7.alpha.H -eudesm-12, 6-olide-1-O-.betha.-D-glucopyranoside, 1.betha.,3.betha.-dihydroxy-6.betha.,11.betha.,4.alpha.,5.alpha.,7.alpha.H-eudes m-12,6-olide-1-O-.betha.-D-glucopyranoside) and 1.betha.,3.betha.-dihydroxy-6.betha.,11.betha.,4.alpha.,5.alpha., 7.alpha.H-eudesm-12,6-olide were isolated from the aqueous fraction of MeOH extract of the roots from Taraxacum hallaisanensis (Compositae) employing Amberlite XAD-2, ODS-gel, silica gel and Sephadex LH-20 column chromatographics. Another known compound, (-)-epicatechin, was isolated from the aqueous fraction of the MeOH extract. The total MeOH extract also contained phytosterol and a mixture of .betha.-amyrin acetate, .alpha.-amyrin acetate and lupeol acetate. Structures of isolated compounds were elucidated by spectroscopic parameters of IR, Mass, /sup 13/C-NMR, /sup 1/H-NMR, /sup 1/H-/sup 1/H COSY, /sup 13/C-/sup 1/H COSY and HMBC.

• Korean Journal of Crystallography
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• v.18 no.1_2
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• pp.21-25
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• 2007

When a $CH_2Cl_2$ solution of the dipyridyl species L' (N,N'-bis-(1-pyridin-4-yl-ethylidene)-naphthalene-1,5-diamine) was layered onto the top of a MeOH solution of $Co(NO_3)_2{\cdot}6H_2O$, a molecular cobalt compound [$CoL_2(MeOH)(NO_3)_2$] (1), not a coordination polymer, was formed. X-ray structural analysis of compound 1 revealed that it contains the pyridyl-amine ligand L (N1-(4-imino-1-methyl-but-2-enylidene)-naphthalene-1,5-diamine), instead of L'. Structure of compound 1 strongly suggests that the original ligand L' has been hydrolyzed to ligand L during the reaction.

• YAKHAK HOEJI
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• v.38 no.4
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• pp.469-475
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• 1994

As the continued studies for Korean cultivated rhubarb, MeOH extract of the leaves was fractionated with ether, ethylacetate, and n-butanol. From the ethyl acetate fraction of MeOH extract, one flavone glycoside, apigenin-8-${\beta}$-D-glucopyranoside(vitexin, $C_{21}H_{20}O_{10}$) and from the n-BuOH fraction of MeOH extract, two flavonol glycosids, kaempferol-3-O-(2,6-di-O-rhamnopyranosyl)-${\beta}$-D-galactopyranoside$(C_{33}H_{40}O_{19})$and quercetin-3-O-rutinoside(rutin, $C_{27}H_{30}O_{16}$) were isolated and identified through the physico-chemical properties and spectroscopic evidences(UV, IR, NMR, Mass) respectively.

• Journal of the Korean Chemical Society
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• v.29 no.6
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• pp.565-574
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• 1985

The rates of reaction between 4-substituted-2,6-dinitrochlorobenzenes with para-substituted anilines in methanol-acetonitrile mixtures were measured by conductometry. It was observed that the rate constant increases in the order of X = 4-$NO_2 {\gg}4-CN {\gg}4- CF_3$, where X is a substituent in the substrate. The rate constant also increases in the order of Y = p-O$CH_3{\gg}p- CH_3{\gg}H {\gg}p-Cl{\gg}m- NO_2$, where Y is a substituent in the aniline ring. Kinetic studies in the methanol-acetonitrile solvent system with various nucleophiles showed that the N-C bond forming step is making a great contribution to the overall second order rate constant. The electrophilic catalysis by methanol probably consists of the hydrogen bonding between alcoholic hydrogen and leaving chloride in the transition state. The nucleophilic catalysis by methanol may be ascribed to the formation of hydrogen bonds between alcoholic oxygen and hydrogens of amines in the transition state. All these experimental facts are supporting the operation of $S_N$Ar machanism with the second step being the rate determining. This mechanism can be successfully fitted to the PES model.

• Journal of the Korean Society of Environmental Restoration Technology
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• v.4 no.3
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• pp.19-29
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• 2001

This study was carried out to examine the recovery of forest ecosystem at the burned areas of coniferous (Mt. Chosdae) and broad leaved forest (Samsinbong in Mt. Chiri) by investigating the changes of forest vegetation. The results obtained are summarized as follows; 1. In the Samsinbong, the total number of species appeared at the burned area were 5 species at tree layer, 11 species at sub-tree layer and 24 species at herb layer, and at the unburned area were 5 species at tree layer, 14 species at sub-tree layer, 18 species at shrub layer and 23 species at herb layer, respectively. In the Mt. Chosdae, the total number of species appeared at the burned area only showed to 83 species at herb layer, and at the unburned area were 7 species at tree layer, 13 species at sub-tree layer, 21 species at shrub layer and 46 species at herb layer, respectively. 2. In the soil chemical properties of the burned area of Samsinbong, pH was 5.8, and contents of Organic matter, Total nitrogen, Available $P_2O_5$, Exchangeable $K^+$, Exchange $Ca^{{+}{+}}$ and Exchange $Mg^{{+}{+}}$ were 7.42%, 0.73%, 28.5mg/kg, 1.3me/100g, 13.3me/100g and 2.2me/100g, respectively. But they showed a tendency to decrease by passing the time. In the soil chemical properties of the burned area of Mt. Chosdae, pH was 5.3, and contents of Organic matter, Total nitrogen, Available $P_2O_5$, Exchangeable $K^+$, Exchange $Ca^{{+}{+}}$ and Exchange $Mg^{{+}{+}}$ were 6.42%, 0.25%, 24.4mg/kg, 0.7me/100g, 3.7me/100g and 2.1me/100g, respectively, and they also showed a tendency to decrease by passing the time. 3. An the burned and unburned areas of Samsinbong, the total evolved amounts of soil respiration were $4,049.1mg/m^2/h$ and $9,950.0mg/m^2/h$, respectively. An the burned and unburned areas of Mt. Chosdae, the total evolved amounts of soil respiration were $4,392.4mg/m^2/h$ and $8,286.5mg/m^2/h$, respectively.

• Journal of Microbiology and Biotechnology
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• v.16 no.7
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• pp.1111-1119
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• 2006

Beauvericins and enniatins are cyclohexadepsipeptides exhibiting various biological activities on animal systems, including humans. Fusarium oxysporum FB1501 (KFCC 11363P) that produces four different cyclohexadepsipeptides was isolated from soil in Korea and the structures of the four cyclohexadepsipeptides elucidated by HPLC, MS, IR, and NMR analyses. The molecular weights for compounds 1,2,3, and 4 were determined to be 654.5, 784.5, 668.6, and 682.5, respectively, on the basis of ESI-MS measurements. The IR spectra for all the compounds exhibited absorptions for ester $(1,733-1,743\;cm^{-1})$ and amide $(1,649-1,655\;cm^{-1})$ bonds that were very similar to those for beauvericin and enniatins with ester and amide absorptions. The results of the NMR analysis $(^{1}H,\;^{13}C,\;135-DEPT,\;COSY,\;HMQC,\;and\;HMBC;\;in\;COCl_{3})$ revealed that compounds 1,3, and 4 consisted of $_{L}-N-methyl\;valine$ (N-MeVal), $_{D}-{\alpha}-hydroxyisovaleic\;acid$ (Hiv), and 2-hydroxy-3-methylpentanoic acid (Hmp) residues (compound 1: three N-MeVal residues, two Hiv residues, and one Hmp residue; compound 3: three N-MeVal residues, one Hiv, and two Hmp residues; compound 4: three N-MeVal residues and three Hmp residues). Therefore, the compounds were identified as enniatin H (compound 1), enniatin I (compound 3), and enniatin MK1688 (compound 4). Compound 2 was analyzed as beauvericin according to 1D and 2D NMR analyses. This study is the first report related to the co-production of beauvericin with other unusual enniatins, such as enniatin H, enniatin I, and enniatin MK1688, by Fusarium oxysporum.

• Bulletin of the Korean Chemical Society
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• v.26 no.6
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• pp.892-898
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• 2005

A long, bis(monodentate), linking Schiff-base ligand L (py-CH=N-$C_6H_4$-N=CH-py) was prepared from 1,4-phenylenediamine and 3-pyridinecarboxaldehyde by the Schiff-base condensation. Ligand L has two terminal pyridyl groups capable of coordinating to metals through their nitrogen atoms. In contrast, the same reaction between 1,2-phenylenediamine and 3-pyridinecarboxaldehyde produced a mixture of imidazol isomers (2-pyridin-3-yl-1H-benzoimidazole), which are connected to one another by the N-H…N hydrogen bonding to form a tetramer. From Zn($NO_3)_2{\cdot}6H_2O$ and ligand L under various conditions, one discrete molecule, trans- [Zn($H_2O)_4L_2]{\cdot}(NO_3)_2{\cdot}(MeOH)_2$, and two 1-D zinc polymers, [Zn$(NO_3)(H_2O)_2(L)]{\cdot}(NO_3){\cdot}(H_2O)_2$ and [Zn(L) (OBC)($H_2O$)], were prepared. In ligand L, the N$\ldots$N separation between the terminal pyridyl groups is 13.994 $\AA$, with their nitrogen atoms at the meta positions (3,3’) in a trans manner. The corresponding N$\ldots$N separations in its compounds range from 13.853 to 14.754 $\AA$.

• YAKHAK HOEJI
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• v.51 no.2
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• pp.88-95
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• 2007

Atractylodes macrocephala has been used for renal anorexia, gastroenteritis, cold, dyspepsia in Korean folk medicine. Specially aerial parts has been eaten as edible mountain herbs. In order to investigate the efficacy of antioxidant activity the activity guided fractionation and isolation of physiologically active substance were peformed. For the investigation of the active components from Atractylodes macrocephala MeOH extracts of aerial parts of Atractylodes macrocephala Koidzumi L. were suspended with H$_2$O, partitioned by CHCl$_3$. In order to investigate the efficacy of antioxidative activity the activity guided fractionation and isolation of physiologically active substance were peformed. CHCl$_3$, H$_2$O, 30% MeOH, 60% MeOH, MeOH fractions were examined antioxidative activity by DPPH method. It was revealed that 30% MeOH and 60% MeOH fractions have significantly antioxidant activity. From 30% MeOH and 60% MeOH fraction, six flavonoids (7-methoxy-pinocembrin-7-O-${\beta}$-D-glucopyranoside, apige nin-8-C-${\beta}$-D-glucopyranoside, 4'-caffeoyl-luteolin-6-glucopyranoside, luteloin-6-C-${\beta}$-D-glucopyranoside, apigenin-6-C-${\beta}$-D-glucopyranoside, luteolin) and four phenylpropanoids (3-feruloylquinic acid, 4,5-di-O-caffeoylquinic acid, feruloyl acid, 3,5-di-O-caffeoylquinic acid) were isolated. To investigate the antioxidant activities of each compounds, we measured radical scavening activity with DPPH method and anti-lipid peroxidative efficacy on low density lipoprotein (LDL) with TBARS assay. Six compounds (III, IV, V, VI, IX, X) which have antioxidant factor showed significant activities.