• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.673-680
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• 2011

The compound 3-(2-Mercaptopyridine)phthalonitrile has been synthesized and characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry from X-ray determination of the title compound in the ground state has been compared using the Hartree-Fock (HF) and density functional theory (DFT) with the 6-31G(d) basis set. The calculated results show that the DFT and HF can well reproduce the structure of the title compound. The energetic behavior of the title compound in solvent media was examined using the B3LYP method with the 6-31G(d) basis set by applying the Onsager and polarizable continuum model. Using the TD-DFT and TD-HF methods, electronic absorption spectra of the title compound have been predicted and good agreement with the TD-DFT method and the experimental determination was found. The predicted nonlinear optical properties of the title compound are much greater than those of urea. Besides, molecular electrostatic potential of the title compound were investigated by theoretical calculations. The thermodynamic properties of the compound at different temperatures have been calculated and corresponding relations between the properties and temperature have also been obtained.

• Journal of Physiology & Pathology in Korean Medicine
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• v.20 no.1
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• pp.196-201
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• 2006

Electroacupuncture(EA) is commonly used in various diseases. In the present study, the effect of EA in the allergic mouse model was examined. Allergy is generated via immunological mechanism and non-immunological mechanism. Mast cells activated dy those mechanisms get to release various substances such as histamine, leukotrienes, prostaglandin, TNF-$\alpha$, IL-4, IL-6, etc. which induce allergic reactions and the following inflammatory responses. To evaluate the anti-allergic effects of EA, mortality, ear swelling response, vascular permeability and cytokine secretion were investigated in EA group and non-EA group of which mice were compound 48/80-induced allergy model or PCA model. Compound 48/80 induces allergic reaction via non-immunological mechanism and PCA model is generated through the same mechanism with immediate-type(Type1) allergic reaction, one of immunological allergic reactions. EA inhibited compound 48/80-induced ear swelling response but did not inhibit the systemic anaphylaxis. EA also inhibited passive cutaneous anaphylaxis(PCA) activated dy anti-dinitrophenol IgE. In addition, EA inhibited IL-6 and TNF-$\alpha$ secretion from 48 h PCA in mice. These results indicate that EA may be used for the treatment of mast cell-mediated allergic diseases, especially immediate-type(Type 1) allergy and non-immunologically mediated allergy.

• Journal of Korean Institute of Industrial Engineers
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• v.31 no.1
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• pp.27-35
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• 2005

Due to the importance of lead time demand in the design of inventory management systems, researchers and practitioners have paid continuous attention and a few analytic models using the compound distribution approach have been reported. However, since the nature of compound distributions is hardly amenable, the analytic models have been done by non‐recognition of the compound nature of some components to reduce the analytic task. This study concerns some of the important aspects in the analytic models. Through the theoretic examination of the analytic model approach and the comparison with the rigid compound stochastic process approach, this study clarifies the assumptions implicitly made by the analytic models and provides some precautions in using the analytic models. Illustrative examples are also presented.

• Journal of the Korean Statistical Society
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• v.36 no.2
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• pp.229-235
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• 2007

We consider a ruin model whose surplus process is formed by a compound Poisson process. If the level of surplus reaches V > 0, it is assumed that a certain amount of surplus is invested. In this paper, we apply the optional sampling theorem to the surplus process and obtain the expectation of period T, time from origin to the point where the level of surplus reaches either 0 or V. We also derive the total and average amount of surplus during T by establishing a backward differential equation.

• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.620-624
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• 2011

In recent years, the study of self-assembly peptide used in drug delivery system has been attracted great interest from scientists. In the category are self-assembly peptides in the structure either with one hydrophobic surface and another hydrophilic or a hydrophobic head and a hydrophilic tail. Here, we focus on a novel designed peptide EYK with double amphiphilic surfaces, investigating on the capability of peptide as a carrier for hydrophobic compound model pyrene. The fluorescence data presented the dynamic process of the transfer, showing that the pyrene was in the crystalline form in peptide solution, and molecularly migrated from its peptide encapsulations into the membrane bilayers when the peptide-pyrene suspension was mixed with liposome vesicles. The results indicated that the peptide EYK could stabilize hydrophobic pyrene in aqueous solution and delivered it into EPC liposome as a potential carrier.

• Korean Journal of Materials Research
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• v.16 no.2
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• pp.85-91
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• 2006

The fraction of $\varepsilon\;and\;\gamma$'-iron nitride in compound layer is predicted by x-ray diffraction using direct comparison method. The validity of formulation models was checked by comparing calculated results with metallographic analysis of iron nitride compound layer grown on steel S45C by gas nitriding. The fraction of $\varepsilon$ calculated by the three phase model, porous-$Fe_3N$/ dense-$Fe_3N$/ mixed layer with $Fe_3N\;and\;Fe_4N$, is 80 percent of that analyzed by etching technique. The $\varepsilon$ fraction predicted by mixed layer model is 122 percent of that measured by microscope.

• Bulletin of the Korean Chemical Society
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• v.15 no.8
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• pp.658-662
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• 1994

Ab initio and extended Huckel calculations have been applied to discuss the electronic structure, ring inversion barrier, and geometry of the $Cp_2TiS_3$ compound. The deformation of four membered ring in the planar geometry is originated from a second-order Jahn-Teller distortion due to the small energy gap between HOMO and LUMO on the basis of extended Huckel calculations. The puckered $C_s$ geometry is stabilized by the interaction of the $x^2-y^2$ metal orbital with the hybrid orbital in sulfur. Ab initio calculations have been carried out to explore the ring inversion process for the model $Cl_2TiS_3$ compound. We have optimized $C_s$ and $C_{2v}$ structures of the model compound at the RHF level. The energy barriers for the ring inversion are sensitive to the used basis set. With 4-31$G^*$ for the Cl and S ligands, the barriers are computed to be 8.41 kcal/mol at MP2 and 8.02 kcal/mol at MP4 level.

• Proceedings of the Plant Resources Society of Korea Conference
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• 2022.09a
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• pp.20-20
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• 2022

Herein, we demonstrate that butein (1) can prevent swelling in a murine lymphedema model by suppressing tumor necrosis factor α (TNF-α) production. Butein derivatives were synthesized and evaluated to identify compounds with in vitro anti-inflammatory activity. Among them, 20 µM of compounds 7j, 7m, and 14a showed 50% suppression of TNF-α production in mouse peritoneal macrophages after lipopolysaccharide stimulation. Compound 14a, exhibited the strongest potency with an in vitro IC₅₀ of 14.6 µM and suppressed limb volume by 70% in a murine lymphedema model. The prodrug strategy enabled a six-fold increase in kinetic solubility of compound 1 and five-fold higher levels of active metabolite in the blood for compound 14a via oral administration in the pharmacokinetics study. We suggest that the compound 14a could be developed as a potential therapeutic agent targeting anti-inflammatory activity to alleviate lymphedema progression.

• Journal of Forest and Environmental Science
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• v.12 no.1
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• pp.37-44
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• 1996

Two dilignols composed of ${\beta}$-O-4 structure, a important substructure compound in lignin, was synthesized in high yield in a series of the synthetic studies of lignin model compounds. The dimers were identified with $^1H$ and $^{13}C$-NMR and Mass spectroscopy. The important compound of among them, the final synthetic compound [IV].is called 1-(3,4-dimethoxyphenyl)-2-(2'-methoxy-4'-hydroxymethylphenoxy)-propanediol-l,3. This dimeric lignin model compounds should be usefull for the studies of lignin reactions such as pulping, bleaching, pyrolysis, hydrogenolysis, oxidation, reduction, biodegradation, and chemical utilization.

• Geotechnical Engineering
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• v.11 no.2
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• pp.121-138
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• 1995

The Langmuir competitive model and the IAS(ideal adsorption solution) model were eveluated and compared in a multisolute adsorption study using five organic compounds (phenol, 2, 4-dichlorophenol, 2, 4, 6-trichlorophenot brucine, and thiourea) and two soils. The chemicals were evaluated individually and in mixtures. In general, the IfS model predicted the equilibrium concentration of a chemical in a mixture better than the Langmuir model. The Langmuir model underestimated the sorption of phenol when the concentration of another compound in a mixture with phenol was high. Neither of the models predicted satisfactorily the equilibrium concentration of thiourea in the mixtures. Thiourea is an aliphatic compound while the other four chemicals are aromatic compounds.