• Korean Journal of Crystallography
• /
• v.13 no.2
• /
• pp.82-85
• /
• 2002

From the reaction of cis,cis,trans- [MoBr/sub 2/(CO)/sub 2/(PPh/sub 3/)/sub 2/］with 2,6-dimethylphenyl isocyanide, a molybdenum oxohaloisocyanide compound cis,fac-[Mo(O)Br/sub 2/,(CN-C/sub 6/H/sub 3/,-2,6-Me/sub 2/)sub 3/] (1) was iso-lated. Compound 1 was characterized by spectroscopy (/sup 1/H-NMR, /sup 13/C｛/sup 1/H｝-NMR, IR) and X-ray diffraction. Crystallographic data for 1: triclinic space group P(equation omitted), a=9.172(2) (equation omitted), b ＝ 11.550(3) (equation omitted), c ＝ 15.106(3) (equation omitted), α ＝ 100.44(2)°, β＝ 107.12(2)°, γ＝ 107.83(1)°, Z ＝ 2, R(wR/sub 2/) ＝ 0.0529(0.1344).

• Korean Journal of Crystallography
• /
• v.2 no.2
• /
• pp.22-27
• /
• 1991

4-Amino-n-(2,6-dimethyk4-pyrimidnyl) benzenesulfonamide, C12H14N402. Unit cell parameters are a =12.626, b=11.262, c=9.375, a:b:r=90°, V =1333.07h3, D,at=1.390 g /cm3, and λ(Cu-Ka)=1.5418, The space group is Pca21, Orthorhombic. The final R factor of 1068 unique observed reflections is R=0.040. Two pair of molecules which related by symmetry operation has strong hydrogen bond. One is between H(N2) and N(3), and the other is H(NIA) and 0(1).

• Journal of the Korean Society of Food Science and Nutrition
• /
• v.44 no.1
• /
• pp.7-13
• /
• 2015

In this study, anti-inflammatory activity of hot water extract of Aronia fruits (AF-H) was examined. Pre-treatment with AF-H significantly inhibited production of nitric oxide (NO) and prostaglandin E-2 in a dose-dependent manner in lipopolysaccharide (LPS)-stimulated RAW 264.7 macrophages. The inhibitory effect of AF-H on LPS-induced inflammation was also confirmed by down-regulation of inducible NO synthase as well as cyclooxygenase-2 protein expression. Furthermore, treatment with AF-H significantly inhibited secretion of inflammatory cytokines such as tumor-necrosis $factor-{\alpha}$ and interleukin-6. Signal transduction pathway studies further indicated that AF-H inhibited LPS-induced activation of nuclear $factor-{\kappa}B$, but not mitogen-activated protein kinase. Treatment with AF-H also partially protected against LPS-induced lethal shock in C57BL/6 mice, although its effect was not statistically significant. These results suggest that AF-H is a more promising nutraceutical or medicinal agent for inhibition of LPS-induced inflammation or inflammation-related diseases.

• Progress in Superconductivity
• /
• v.14 no.2
• /
• pp.116-121
• /
• 2012

Effect of mixed gas and additional Mg powder in an annealing process of the $MgB_2$ is investigated. Four different type of samples were prepared, each in different annealing environment of Ar, $Ar+4%H_2$, Ar with Mg powder and $Ar+4%H_2$ with Mg powder. Different annealing environment did not affect the electron-phonon interaction which is reflected from the same superconducting transition of 36.6 K for all samples. The reducing effect of hydrogen is clearly depicted from the presence of excess Mg in sample synthesized in $Ar+4%H_2$ gas implying the reduced rate of reaction between Mg and B. This has manifested itself in terms of slightly increased high-field critical current density of the sample. In contrast, the sample synthesized in $Ar+4%H_2$ with Mg powder, has shown overall enhancement in the superconducting properties as presented by higher diamagnetic saturation and critical current density.

• Applied Chemistry for Engineering
• /
• v.10 no.6
• /
• pp.885-888
• /
• 1999

This study was carried out to determine the reaction kinetic constant of the dehydration - thermal decomposition of $Na_2B_4O_7{\cdot}10H_2O/Na_2B_4O_7{\cdot}5H_2O$ and to investigate the durability during the repeated use of a chemical heat-storage material and the reproducibility of reaction system. The order of the dehydration reaction was 1st-order. The reaction rate was directly proportional to a partial pressure difference of water steam. The kinetic constant was 0.27 and the reproducibility of dehydration reaction for a kinetic constant and a reaction order was excellent. The activity variation in the durability test of a chemical heat-storage material was within range of ${\pm}5%$ during the repeatedly use in several times.

• Applied Chemistry for Engineering
• /
• v.8 no.6
• /
• pp.1029-1033
• /
• 1997

Fundamental research of non-isothermic analysis of reaction rate has been carried out for the heat storage system using the thermal decomposition of $Na_2B_4O_7{\cdot}10H_2O$. It was found that the equilibrium temperature of the thermal decomposition reaction was lowered less than 373K in $Na_2B_4O_7{\cdot}10H_2O/Na_2B_4O_7{\cdot}5H_2O$ system, but the heat efficiency was unchanged. The initiation temperature of the reaction was varied from low to high temperature region with heating rate. The reaction order of the dehydration reaction by the thermal decomposition was appeared to be 0.67 by non-isothermic analysis, thereby $Na_2B_4O_7{\cdot}10H_2O$ may be used as a hemical heatstorage material.

• Journal of the Korean Chemical Society
• /
• v.53 no.1
• /
• pp.7-16
• /
• 2009

The global minimum structures of the benzene-water, Bz-$H_2O$ and benzene-water cation complex, [Bz-$H_2O]^+$ have been investigated using ab initio and density functional theory(DFT) with very large basis sets. The highest levels of theory employed in this study are B3LYP/cc-pVQZ for geometry optimization and MP2/aug-cc-pVTZ//B3LYP/aug-cc-pVTZ for binding energy. The harmonic vibrational frequencies and IR intensities are also determined at the various levels of theory to confirm whether the structure of water complex is affected by the presence of benzene. The binding energies of Bz-$H_2O$ (N-1) structure are predicted to be 3.92 kcal/mol ($D_e$) and 3.11 kcal/mol ($D_0$) after the zero-point vibrational energy correction at the MP2/cc-pVQZ//B3LYP/cc-pVQZ level of theory. The binding energies of [Bz-$H_2O]^+$ (C-1) structure are predicted to be 9.06 kcal/mol for $D_e$ and 7.82 kcal/mol for $D_0$ at the same level of theory.

• Food Science and Preservation
• /
• v.31 no.2
• /
• pp.235-244
• /
• 2024

A nonthermally sterilized raw apple vinegar was manufactured using an ultra-fine filtration process (0.2 ㎛ membrane filter) and its quality was comparable to commercially available vinegar products. First, using apple concentrate as a raw material, it was possible to produce non-thermal sterilized Using a two-stage fermentation process of alcohol and acetic acid fermentations, a non-thermally sterilized raw apple vinegar with pH 2.94 and an acidity of 6.20% was produced from an apple concentrate. The fermentation process increased the browning index significantly. However, the fundamental quality parameters of the non-thermal sterilized raw apple vinegar (A) with sterilized apple vinegar (B) did not differ significantly. The pH (2.92-2.95) of apple vinegar (A and B) was higher than that (pH 2.65-2.70) of commercial vinegar (C and D), and the total acidity, which is in the range of 6.20-6.21% and 6.53-6.90%, respectively, was higher in samples C and D than in samples A and B. However, four kinds of organic acids were detected in non-thermal sterilized raw apple vinegar (A), and its total organic acid content (6,245.00 mg%) was significantly higher than that of other samples (B, C, D) (p<0.05). In particular, malic acid content, as a main organic acid in apples, was very high in sample (A) (244.83 mg%) and sample (B) (210.21 mg%), compared to commercial products C (125.78 mg%) and D (86.90 mg%). The total polyphenol content and antioxidant activity of fermented apple vinegar (A, B) were more than twice as high as those of commercial products (C, D). Vinegar A had higher total polyphenol content than vinegar B. The above results suggest it is possible to manufacture and commercialize non-thermal sterilized raw apple vinegar with higher organic acid content and antioxidant properties using ultra-fine filtration.

• Journal of the Korean Chemical Society
• /
• v.41 no.11
• /
• pp.586-589
• /
• 1997

1,2,3,4,5,6-Hexaalkyl-1,4-dibora-2-cyclohexene was not produced by the general preparation method in our laboratory because of difficulties in the preparation of $B_2Cl_4.$ 2,3-Dietyl-1,4,5,6-tetramethyl-1,4-dibora-2-cyclohexene, 2 was synthesized by the reduction-oxidation reaction of potassium and methyliodide from 1,4-dimethyl-2,3-diethyl-1,4-dibora-2-cyclohexene, 1 as a substrate. Cobalt sandwich-complexes, 6, 7 and 8 were synthesized by the reaction of 2,3-diethyl-1,4,5,6-tetramethyl-1,4-dibora-2-cyclohexene with $({\eta}5-C_5H_5Co(C_2H_4)_2.$.

• Bulletin of the Korean Chemical Society
• /
• v.24 no.6
• /
• pp.853-858
• /
• 2003

The reaction mechanism of the pyrolysis of sulphonyl oximes ($CH_3-C_6H_4-S(O)_2O-N=C(H)-C_6H_4Y$), in the gas phase is studied theoretically at HF/3-21G, ONIOM (B3LYP/6-31G**:HF/3-21G) and ONIOM (MP2/6- 31G**:HF/3-21G) levels. All the calculations show that the thermal decomposition of sulphonyl oximes is a concerted asynchronous process via a six-membered cyclic transition state. The activation energies (Ea) predicted by ONIOM (B3LYP/6-31G**: HF/3-21G) method are in good agreement with the experimental results for a series of tosyl arenecarboxaldoximes. Five para substituents, Y = $OCH_3$, $CH_3$, H, Cl, and $NO_2$, are employed to investigate the substituent effect on the elimination reaction. Linear Hammett correlations are obtained in all calculations in contrast to the experimental finding.