• Bulletin of the Korean Chemical Society
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• v.32 no.11
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• pp.4027-4034
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• 2011

$CaCO_3$ crystalline structures having novel assemblies were in situ fabricated as analogs of naturally occurring proteins and polysaccharides for biomineralization. The calcite crystal was mineralized in a poly(vinyl alcohol)-$Ca^{2+}$ complex film immersed in a $Na_2CO_3$ solution containing poly(aspartic acid). The morphology and size of the $CaCO_3$ crystals were tuned by varying the concentration of poly(aspartic acid). The mechanisms of their nucleation orientation and formation were investigated experimentally and through molecular dynamics (MD) simulations in order to obtain a better understanding of the interactions between the polymers and the crystal at the molecular level. Both the MD results and experimental results indicate that the interaction between PVA and calcite mainly depends on the concentration of the polymer. The novel approach proposed herein for the fabrication of inorganic crystalline assembly structures can be used to fabricate precise crystalline structures.

• Journal of Microbiology and Biotechnology
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• v.18 no.4
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• pp.682-685
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• 2008

Among thirteen strains of the genus Bacillus isolated from Shrimp-jeotkal in our laboratory, a strain BA34 showing good antifungal activity against Phytophthora infestans in a previous experiment was tested for the inhibitory effect against Akt, protein kinase B. Since Akt is known to play an important role in controlling apoptosis, its inhibitors can be used as potential apoptosis-inducing agents in the treatment of cancer. Two active compounds were isolated and their structures were determined. They have similar structures, despite showing different inhibitory effects. In order to elucidate the reasons for these different effects, three-dimensional studies were carried out.

• Bulletin of the Korean Chemical Society
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• v.18 no.4
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• pp.415-424
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• 1997

Conformational flexibilities of the GlcNAc(β1,3)Gal(β)OMe are investigated through NMR spectroscopy and molecular modeling. Adiabatic energy map generated with a dielectric constant of 50 contains three local minima. All of the molecular dynamics simulations on three local minimum energy structures show fluctuations between two low energy structures, N2 at φ=80° and ψ=60° and N3 at φ=60° and ψ=-40°. We have presented adequate evidences to state that GlcNAc(β1,3)Gal(β)OMe exists in two conformationally discrete forms. Two state model of N2 and N3 conformers with a population ratio of 40:60 is used to calculate the effective cross relaxation rate and reproduces the experimental NOEs very well. Molecular dynamics simulation in conjunction with two state model proves successfully the dynamic equilibrium existed in GlcNAc(β1,3)Gal(β)OMe and can be considered as a powerful method to analyze the motional properties in the structure of carbohydrate. This observation also cautions against the indiscriminate use of a rigid model to analyze NMR data.

• Archives of Pharmacal Research
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• v.29 no.7
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• pp.582-586
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• 2006

Due to consumer reluctance to take synthetic drugs for nematode infections and the appearance of resistance to anthelminthic drugs, new drugs from natural products must be developed. Caenorhabditis elegans is one of the freely living nematodes and serves as a good model system for screening anthelminthic drugs. In this study, thirteen flavonoid derivatives were tested for anthelminthic activity and the relationships between their activities and structures were investigated. The structural information combined with the data for the larval growth inhibition of C. elegans provided meaningful structural insights in the search for new anthelminthic drugs.

• Proceedings of the Korean Magnestics Society Conference
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• 2003.12a
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• pp.362-362
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• 2003

• Proceedings of the Korean Fiber Society Conference
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• 2003.10a
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• pp.61-62
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• 2003

To identify the effect of critical molecular parameters of poly(vinyl alcohol) (PVA) such as syndiotacticity, degree of saponification, and molecular weight on the change of morphology, we prepared various PVAs. Also, the structures of these PVA were investigated.

• Journal of Applied Biological Chemistry
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• v.49 no.4
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• pp.189-191
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• 2006

• 한국정보디스플레이학회:학술대회논문집
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• 2006.08a
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• pp.611-614
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• 2006

Sum-frequency vibrational spectroscopy (SFVS) has been used to study the molecular orientations at the polymer surfaces for liquid crystal alignment. Various molecular orientations appear at the surface depending on various types of surface treatments and polymers.

• Proceedings of the Korean Vacuum Society Conference
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• 2002.02a
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• pp.63-63
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• 2002

• Membrane Journal
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• v.7 no.1
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• pp.15-21
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• 1997

Carbon molecular sieve (CMS) membranes were synthesized by the pyrolysis of polymeric precursors. The CMS materials had oxygen-nitrogen selectivities much higher than those observed for the polymeric precursors. Typically molecular sieving materials have diffusion selectivities much higher than polymeric materials. This has been identified as a result of higher entropic selectivity of the molecular sieving materials. A study of the development of molecular sieving properties as the polymeric precursor is pyrolyzed into a CMS material will offer us an insight into polymeric molecular structures needed for enhanced entropic selectivity membrane materials.