• 한국자기공명학회논문지
• /
• 제3권2호
• /
• pp.109-126
• /
• 1999

The location of Cu(II) exchanged into measoporous aluminosilicate MCM-41(AlMCM-41) material and its interaction with various adsorbate molecules were investigated by electron spin resonance and electron spin echo modulation spectroscopies. Cu(II) is fully coordinated to adsorbates in a wide open mesopore of AlMCM-41 for the formation of favorable complexes. It was found that in the fresh hydrated material, Cu(II) is octahedrally coordinated to six water molecules as evidenced by an isotropic room temperature ESR signal. This species is located in a cylindrical MCM-41 channel and rotates rapidly at room temperature. Evacuation at room temperature removes some of these water molecules, leaving the Cu(II) coordinated to less water molecules and anchored to oxygens in an MCM-41 channel wall. Dehydration at 450$^{\circ}C$ produces one Cu(II) species located on the internal wall of a channel, which is easily accessible to adsorbates. Adsorption of adsorbate molecules such as water, methanol, ammonia, pyridine, aniline, acetonitrile, benzene, and ethylene on a dehydrated Cu-AlMCM-41 material causes changes in the ESR spectrum of Cu(II), indicating the complex formation with these adsorbates. Cu(II) forms a complex with six molecules of methanol as evidenced by an isotropic room temperature ESR signal and ESEM analysis like upon water adsorption. Cu(II) also forms a square planar complex containing four molecules of N-containing adsorbates such as ammonia, pyridine and aniline based on resolved nitrogen superhyperfine interaction and their ESR parameters. However, Cu(II) forms a complex with six-molecules of acetonitrile based on ESR parameters. Only one molecule of benzene or ethylene is coordinated to Cu(II).

• Bulletin of the Korean Chemical Society
• /
• 제24권6호
• /
• pp.805-808
• /
• 2003

Fundamental ideas of the free energy gradient method are briefly reviewed with three applications: the stable structures of glycine and ammonia-water molecule pair in aqueous solution and the transition state (TS) structure of a Menshutkin reaction $NH_3 + CH_3Cl → CH_3NH_3^+ + Cl^-$ in aqueous solution, which is the first example of full TS optimization of all internal degrees of freedom.

• 대한약침학회지
• /
• 제12권1호
• /
• pp.67-76
• /
• 2009

Objective : Following central nervous system(CNS) injury, inhibitory influences at the site of axonal damage occur. Glial cells become reactive and form a glial scar, gliosis. Also myelin debris such as MAG inhibits axonal regeneration. Astrocyte-rich gliosis relates with up-regulation of GFAP and CD81, and eventually becomes physical and mechanical barrier to axonal regeneration. MAG is one of several endogenous axon regeneration inhibitors that limit recovery from CNS injury and disease. It was reported that molecules that block such inhibitors enhanced axon regeneration and functional recovery. Recently it was reported that treatment with anti-CD81 antibodies enhanced functional recovery in the rat with spinal cord injury. So in this current study, the author investigated the effect of the water extract of Uncariae Ramulus et Uncus on the regulation of CD81, GFAP and MAG that increase when gliosis occurs. Methods : MTT assay was performed to examine cell viability, and cell-based ELISA, western blot and PCR were used to detect the expression of CD81, GFAP and MAG. Then also immunohistochemistry was performed to confirm in vivo. Results : Water extract of Uncariae Ramulus et Uncus showed relatively high cell viability at the concentration of 0.05%, 0.1% and 0.5%. The expression of CD81, GFAP and MAG in astrocytes was decreased after the administration of Uncariae Ramulus et Uncus water extract. These results was confirmed in the brain sections following cortical stab injury by immunohistochemistry. Conclusion : The authors observed that Uncariae Ramulus et Uncus significantly down-regulates the expression of CD81, GFAP and MAG. These results suggest that Uncariae Ramulus et Uncus can be a candidate to regenerate CNS injury.

• 대한화학회지
• /
• 제22권6호
• /
• pp.403-411
• /
• 1978

Collagen의 model compound인 poly(Gly-Pro-Pro)의 수화에 관해서 empirical ppotential energy 함수를 사용하여 이론적으로 연구하였다. 물 분자와 model compound 간의 상호작용 energy를 최소화시켜서 물 분자들의 위치와 결합 energies를 계산하였다. 다음에는 일차수화층에 물이 붙음으로써 생기는 안정화 energy를 계산하고, 전체 안정화에 기여하는 여러 energy components의 기여도에 대해 논의하였다.

• 대한한방내과학회지
• /
• 제34권2호
• /
• pp.204-214
• /
• 2013

Objectives : This study was designed to investigate the cellular and molecular mechanisms of anti-inflammatory activity of the water extract of Polygala tenuifolia Willd. (Pt-WE). Methods : Using lipopolysaccharide (LPS)-stimulated murine RAW264.7 cells, we examined inflammatory mediators such as nitric oxide (NO), inducible NO synthase (iNOS), cyclooxygenase (COX)-2 and prostaglandin $E_2$ ($PGE_2$). Also, the inhibitory effect of Pt-WE on the activity of activator protein 1 (AP-1) and upstream signaling molecules was evaluated. To assess the protective effect of Pt-WE on hydrochloride/ethanol (HCl/EtOH)-induced gastric ulcer in mice, we compared Pt-WE (200 mg/kg) with ranitidine (50 mg/kg) treated mice's gastric mucosa, based on gross observations. Results : Pt-WE inhibited LPS-induced production of NO, $PGE_2$ in a dose-dependent manner, without causing cytotoxicity. Pt-WE suppressed AP-1 activation by reducing generations of both c-Jun and c-Fos. In addition, Pt-WE inhibited the p-MKK 4/7 (mitogen-activated protein kinase kinase 4/7) and p-JNK (c-Jun N-terminal kinase) 1 in LPS-stimulated RAW264.7 cells. HCl/EtOH-induced gastric ulcer lesions were inhibited by pre-treatment of Pt-WE based on gross observations. In addition, Pt-WE decreased the phosphorylation level of JNK. Conclusions : These results demonstrate that Pt-WE has anti-inflammatory and gastroprotective effects. Thus, Pt-WE may be used widely in treatment of not only neurodegenerative diseases but also inflammatory diseases.

• Journal of Pharmaceutical Investigation
• /
• 제34권6호
• /
• pp.443-452
• /
• 2004

Habit is the description of the outer appearance of a crystal. If the environment of a growing crystal affects its external shape without changing its internal structure, a different habit results. Crystal habit and the internal structure of a drug can affect bulk and physicochemical properties, which range from flowability to chemical stability. A polymorph is a solid crystalline phase of a given compound resulting from the possibility of at least two different arrangements of the molecules of that compound in the solid state. Chemical stability and solubility changes due to polymorphism can have an impact on a drug's bioavailability and its development program. During crystallization from a solution, crystals separating may consist of a pure component or be a molecular compound. Solvates are molecular complexes that have incorporated the crystallizing solvent molecule in their lattice. When the solvent incorporated in the solvate is water, it is called a hydrate. To distinguish solvates from polymorphs, which are not molecular compounds, the term pseudopolymorph is used. Identification of possible hydrate compounds is important since their aqueous solubilities can be significantly less than their anhydrous forms. Conversion of an anhydrous compound to a hydrate within the dosage form may reduce the dissolution rate and extent of drug absorption. An amorphous solid may be treated as a supercooled liquid in which the arrangement of molecules is random. Amorphous solids lack the three-dimensional long-range order found in crystalline solids. Since amorphous forms are usually of higher thermodynamic energy than corresponding crystalline forms, solubilities as well as dissolution rates are generally greater. A study on crystal form includes characterization of (l)crystal habit, (2)polymorphism, (3)pseudopolymorphism, (4)amorphous solid.

• 대한화학회지
• /
• 제57권6호
• /
• pp.684-690
• /
• 2013

Since a glycerol molecule has three active sites, two ${\alpha}$ and one ${\beta}$ hydroxyl groups; it undergoes condensation by releasing water molecules to produce linear, nonlinear and heterocyclic oligomers. The Gibbs free energy (G), enthalpy (H) and internal energy (E) of 7 diglycerol, 15 triglycerol and 23 tetraglycerol isomers were calculated at B3LYP level of theory using 6-311++G(d, p) basis set, in both gas and aqueous phases. Linear oligomers, ${\alpha}{\alpha}$-diglycerol, ${\alpha}{\alpha}$, ${\alpha}{\alpha}$-triglycerol and ${\alpha}{\alpha}$, ${\alpha}{\alpha}$, ${\alpha}{\alpha}$-tetraglycerol, were found to be the most stable oligomers in aqueous phase. It was found that the stability of cyclic oligomers decreases as the size of their rings increases. Cyclic oligomers are produced by dehydration of the acyclic ones which is an endothermic reaction while its ${\Delta}G$ is negative. The dehydration reaction is less endothermic in aqueous phase.

• 한국의류학회지
• /
• 제26권7호
• /
• pp.1078-1084
• /
• 2002

Cotton fabrics were treated with 1,2,3,4-butanetetracarboxylic acid(BTCA) to impart durable press performance, which is formaldehyde-free DP finishing reagent. The pore structures of BTCA treated cottons were compared using a reverse gel permeation chromatographic technique(reverse GPC). A series consisting 4 kinds of water soluble sugars was used to study the elution characteristics of columns prepared from cotton fibers. From these data, differences in pore size distribution in the control and BTCA treated cottons were distinguished. BTCA crosslinks cellulose molecules provided wrinkle resistance to the treated cotton fabrics through ester linkages. Although crosslinking of cotton with BTCA reduced accessible internal volume across the entire range of pore size, differences in line pores were larger than in small pores. BTCA treated cotton exhibited reductions over 40% in large pore sizes.

• International Journal of Industrial Entomology and Biomaterials
• /
• 제19권1호
• /
• pp.155-164
• /
• 2009

The most important factors in environment that influence the physiology of insects are temperature and humidity. Insects display a remarkable range of adaptations to changing environments and maintain their internal temperature (thermoregulation) and water content within tolerable limits, despite wide fluctuations in their surroundings. Adaptation is a complex and dynamic state that widely differs in species. Surviving under changing environment in insects depends on dispersal, habitat selection, habitat modification, relationship with ice and water, resistance to cold, diapause and developmental rate, sensitivity to environmental signals and syntheses of variety of cryoprotectant molecules. The mulberry silkworm (Bombyx mori) is very delicate and sensitive to environmental fluctuations and unable to survive naturally because of their domestication since ancient times. Thus, the adaptability to environmental conditions in the silkworm is quite different from those of wild insects. Temperature, humidity, air circulation, gases and photoperiod etc. shows a significant interaction in their effect on the physiology of silkworm depending upon the combination of factors and developmental stage affecting growth, development, productivity and quality of silk. An attempt has been made in this article to briefly discuss adaptation in insects with special emphasis on the role of environmental factors and their fluctuations and its significance in the physiology of mulberry silkworm, B. mori.

• Journal of Acupuncture Research
• /
• 제24권6호
• /
• pp.137-148
• /
• 2007

Objectives : Following central nervous system (CNS) injury, inhibitory influences at the site of axonal damage occur. Glial cells become reactive and form a glial scar, know as gliosis. As well,myelin debris such as MAG inhibits axonal regeneration. Astrocyte-rich gliosis relates to up-regulation of GFAP and CD81, and eventually becomes a physical and mechanical barrier to axonal regeneration. It is postulated that when the astrocytic reaction is absent, regeneration of axons can occur. It was reported that treatment with anti CD81 antibodies enhanced functional recovery in rats with spinal cord injury. Methods : MAG is one of several endogenous axon regeneration inhibitors that limit recovery from central nervous system injury and disease. It was reported that molecules which block such inhibitors enhanced axon regeneration and functional recovery. Results : In this current study, the author investigated the effect of the water extract of Ginseng Radix on the regulation of CD81, GFAP and MAG which increases when gliosis occurs. MTT analysis was performed to examine cell viability, and cell based ELISA, Western Blot and PCR were used to detect the expression of CD81, GFAP and MAG. Immunohistochemistry was also performed to confirm in vivo. Conclusions : We observed that Ginseng Radix significantly down-regulates the expression of CD81, GFAP and MAG by means of cell based ELISA, Western Blot and PCR. In immunohistochemistry, expression of CD81, GFAP and MAG also decreased. Taken together, these results suggest that Ginseng Radix can be a candidate for regenerating CNS injury.