• Korea-Australia Rheology Journal
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• v.20 no.2
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• pp.89-94
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• 2008

To satisfy good mechanical and optical properties of polymer-coated film products, it will be indispensable to elucidate the molecular orientation of polymer chains within coating liquids in coating flows. Using hybridized numerical method between computational fluid dynamics (CFD) and Brownian dynamics (BD) simulations can provide the useful information for the better quality control of coated films. Flexible polymer chains, e.g., ${\lambda}$-DNA molecules here, change their conformation according to the flow strength and the flow type. The molecular conformation within the coated film on the web or substrate is quite different, because the polymer chains experience the complicated flow strength and flow types in flow field. Especially in the slot coating flow, these chains are more extended by the extension-like flow field generated in the free surface curvature just beyond the downstream die region. Also, the polymer chain extension beneath the free surface can be affected by the die geometry, e.g., the coating gap, changing flow field.

• Biotechnology and Bioprocess Engineering:BBE
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• v.10 no.3
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• pp.212-217
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• 2005

Desorption/ionization on silicon mass spectrometry (DIOS-MS) is a relatively new laser desorption/ionization technique for mass spectrometry without employing an organic matrix. This present study was carried to survey the experimental factors to improve the efficiency of DIOS-MS through electrochemical etching condition in structure and morphological properties of the porous silicon. The porous structure of silicon structure and its properties are crucial for the better performance of DIOS-MS and they can be controlled by the suitable selection of electrochemical conditions. The fabrication of porous silicon and ion signals on DIOS-MS were examined as a function of silicon orientation, etching time, etchant, current flux, irradiation, pore size, and pore depth. We have also examined the effect of pre- and post-etching conditions for their effect on DIOS-MS. Finally, we could optimize the electrochemical conditions for the efficient performance of DIOS-MS in the analysis of small molecule such as amino acid, drug and peptides without any unknown noise or fragmentation.

• Proceedings of the Korean Society for Bioinformatics Conference
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• 2005.09a
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• pp.249-255
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• 2005

Angiotensin-converting enzyme (ACE) is primarily responsible for human hypertension. Current ACE drugs show serious cough and angiodema health problems due to the un-specific activity of the drug to ACE protein. The availability of ACE crystal structure (1UZF) provided the plausible biological orientation of inhibitors to ACE active site (C-domain). Three-dimensional quantitative structure-activity relationship (3D-QSAR) models have been constructed using the comparative molecula. field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) for a series of 28 ACE inhibitors. Alignment for CoMFA obtained by docking ligands to 1UZF protein using FlexX program showed better statistical model as compared to superposition of corresponding atoms. The statistical parameters indicate reasonable models for both CoMFA (q$^2$ = 0.530, r$^2$ = 0.998) and CoMSIA (q$^2$= 0.518, r$^2$ = 0.990). The 3D-QSAR analyses provide valuable information for the design of ACE inhibitors with potent activity towards C-domain of ACE. The group substitutions involving the phenyl ring and carbon chain at the propionyl and sulfonyl moieties of captopril are essential for specific activity to ACE.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2002.07b
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• pp.769-772
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• 2002

Dendrimers are well-defined macromolecules exhibiting a tree-like structure, first derived by the cascade molecule approach. Peculiar features of the dendritic geometry are the large number of end groups as well as the shape persistence in higher generations, approaching spherical geometry. And one of the most peculiar characteristics of dendritic macromolecules is their controlled molecular structure and orientation, which means that they have a practical application in achieving a highly organized molecular arrangement. We attempted to fabricate a dendrimer LB films containing 48 pyridinepropanol functional end group. As the pyridinepropanol functional group could form a complex structure with metal ions. We investigated the surface activity of dendrimer films at air-water interface compared with pure dendrimer and its complex with $Fe^{2+}$ ions into subphase. We though that metal ions are contributed to networking or branching reaction between dendrimers. And we expected that it can result in the differences on the electrical properties. We have studied the electrical properties of the ultra thin dendrimer LB films investigated by the current-voltage characteristics of metal dendrimer LB films/metal (MIM) structure.

• The Bulletin of The Korean Astronomical Society
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• v.42 no.2
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• pp.42.2-42.2
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• 2017

The Large Magellanic Cloud (LMC) is a unique target to study the detail structures of molecular clouds and star-forming regions, due to its proximity and face-on orientation from us. Most part of the astrophysical subjects for the LMC have been investigated, but the magnetic field is still veiling despite its role in the evolution of the interstellar medium (ISM) and in the main force to influence the star formation process. Measuring polarization of the background stars behind interstellar medium allows us to describe the existence of magnetic fields through the polarization vector map. In this presentation, I introduce the near-infrared polarimetric results for the $39^{\prime}{\times}69^{\prime}$ field of the northeastern region of the LMC and the N159/N160 star-forming complex therein. The polarimetric observations were conducted at IRSF/SIRPOL 1.4 m telescope. These results allow us to examine both the global geometry of the large-scale magnetic field in the northeastern region and the close structure of the magnetic field in the complex. Prominent patterns of polarization vectors mainly follow dust emission features in the mid-infrared bands, which imply that the large-scale magnetic fields are highly involved in the structure of the dust cloud in the LMC. In addition, local magnetic field structures in the N159/N160 star-forming complex are investigated with the comparison between polarization vectors and molecular cloud emissions, suggesting that the magnetic fields are resulted from the sequential formation history of this complex. I propose that ionizing radiation from massive stellar clusters and the expanding bubble of the ionized gas and dust in this complex probably affect the nascent magnetic field structure.

• Composites Research
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• v.29 no.6
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• pp.375-378
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• 2016

Characteristics of nanocrystalline materials are known substantially dependent on the microstructure such as grain size, crystal orientation, and grain boundary. Thus it is desired to have systematic characterization methods on the various nanomaterials with complex geometries, especially in low dimensional nature. One of the interested nanomaterials would be a pure two-dimensional material, graphene, with superior mechanical, thermal, and electrical properties. In this study, mechanical properties of "polycrystalline" graphene were numerically investigated by molecular dynamics simulations. Subdomains with various sizes would be generated in the polycrystalline graphene during the fabrication such as chemical vapor deposition process. The atomic models of polycrystalline graphene were generated using Voronoi tessellation method. Stress strain curves for tensile deformation were obtained for various grain sizes (5~40 nm) and their mechanical properties were determined. It was found that, as the grain size increases, Young's modulus increases showing the reverse Hall-Petch effect. However, the fracture strain decreases in the same region, while the ultimate tensile strength (UTS) rather shows slight increasing behavior. We found that the polycrystalline graphene shows the reverse Hall-Petch effect over the simulated domain of grain size (< 40 nm).

• Natural Product Sciences
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• v.24 no.2
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• pp.88-92
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• 2018

The present study was undertaken to investigate the isolated compounds from the stem bark of Garcinia atroviridis as potential cholinesterase inhibitors and the ligand-enzyme interactions of selected bioactive compounds in silico. The in vitro cholinesterase results showed that quercetin (3) was the most active AChE inhibitor ($12.65{\pm}1.57{\mu}g/ml$) while garcinexanthone G (6) was the most active BChE inhibitor ($18.86{\pm}2.41{\mu}g/ml$). It is noteworthy to note that compound 6 was a selective inhibitor with the selectivity index of 11.82. Molecular insight from docking interaction further substantiate that orientation of compound 6 in the catalytic site which enhanced its binding affinity as compared to other xanthones. The nature of protein-ligand interactions of compound 6 is mainly hydrogen bonding, and the hydroxyl group of compound 6 at C-10 is vital in BChE inhibition activity. Therefore, compound 6 is a notable lead for further drug design and development of BChE selective inhibitor.

• Journal of the Korean Society of Clothing and Textiles
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• v.25 no.7
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• pp.1270-1280
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• 2001

In this research of biodegradable polymers, it is essential to investigate the relation between biodegradability and molecular structure such as chemical constitution, hydrophilicity, molecular weight, crystallinity, chain orientation, and so on. It is also expected that hydrophilicity of polymer can affect biodegradability because biodegradation occurs with the help of enzymes and microorganisms. This study is to investigate the effect of hydrophilicity on biodegradability of polyesters. Hydrophilicity was varied by adding 5~30 mol% of amide groups, since amide groups are hydrophilic and used for improving thermal and mechanical properties. Surface energies and nitrogen contents by ESCA were measured to determine their hydrophilicity. The biodegradation was examined in activated sludge, enzyme and natural soil by $CO_2$evolution, TOC, weight loss, and observation through microscopy. The results showed that hydrophilicity of polyesteramide films increased with the addition of amide, PBAD series of shorter methylene units showed maximum hydrophilicity at 15~20 mol% of amide contents, but PBSE exhibited maximum values at 5~15 mol% of amide contents. The biodegradability increased as the hydrophilicty on surface increased. The biodegradation rate of PBAD series was higher than that of PBSE series. Therefore, it can be concluded that the addition of appropriate contents of hydrophile enhanced the biodegradability of aliphatic polyesters as well as their physical properties. Also, the experimental results revealed the relation between hydrophilicity and biodegradability of polyesteramides.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.247-247
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• 2011

플라즈마 분자선 에피택시(plasma-assisted molecular beam epitaxy)법을 이용하여 다공질 실리콘(porous silicon)에 ZnO 박막을 성장하였다. 성장 후, 아르곤 분위기에서 10분 간 다양한 온도(500~700$^{\circ}C$)로 열처리하였다. 다공질 실리콘 및 열처리 온도가 ZnO 박막의 특성에 미치는 영향을 scanning electron microscopy (SEM), X-ray diffraction (XRD), photoluminescence (PL)을 이용하여 분석하였다. 실리콘 기판에 성장된 ZnO 박막은 일반적은 섬구조(island structure)로 성장된 반면, 다공질 실리콘에 성장된 ZnO 박막은 산맥과 같은 구조(mountain range-like structure)로 성장되었다. 열처리 온도가 증가함에 따라 ZnO 박막의 grain size는 증가하였다. 실리콘 기판 위에 성장된 ZnO 박막은 wurtzite 구조를 나타내는 여러 개의 회절 피크가 관찰된 반면, 다공질 실리콘에 성장된 ZnO 박막은 c-축 배향성(c-axis preferred orientation)을 나타내는 ZnO (002) 회절 피크만이 나타났다. 다공질 실리콘에 성장된 ZnO 박막의 구조적 및 광학적 특성이 실리콘 기판에 성장된 ZnO 박막의 특성보다 우수하게 나타났다. 뿐만 아니라, 열처리 온도가 증가함에 따라 다공질 실리콘에 성장된 ZnO 박막의 PL 강도비(intensity ratio)가 실리콘 기판에 성장된 ZnO 박막의 강도비보다 월등하게 증가하였다.

• Macromolecular Research
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• v.12 no.4
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• pp.342-351
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• 2004

Poly(ethylene glycol) (PEG1K) and sulfonated PEG (PEG1K-SO$_3$) methacrylate (MA) copolymers have been prepared and characterized. The structures of the synthesized copolymers were confirmed by $^1$H and $^{13}$ C NMR spectroscopy and elemental analysis. The bulk characteristics of the copolymers were evaluated by viscosity and thermal analysis. The surface properties of the copolymers were investigated using dynamic contact angle measurements and electron spectroscopy for chemical analysis. The hydrophilicity of the surfaces modified with PEG1KMA or PEG1K-SO$_3$MA increased, possibly as a result of the orientation of the hydrophilic PEG1KMA/PEG1K-SO$_3$MA chains into the water phase. Platelets adhered less to the surfaces of the copolymers than they did to a polyurethane control. In addition, adhesion of platelets to the copolymer surfaces decreased upon increasing the chain density of PEG1KMA and sulfonated PEG1KMA in the copolymers. Both bacterial adhesion and protein adsorption were significantly reduced on the copolymer surfaces and their levels differ depending on the kind of surface or media.