• Proceedings of the Korean Vacuum Society Conference
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• 1997.02a
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• pp.140-141
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• 1997

• Membrane Journal
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• v.13 no.3
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• pp.143-153
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• 2003

The effects of bipolar interface formed on the surface of cation-exchange membrane on water splitting phenomena were investigated. Results showed that the formation of immobilized bipolar interface resulted in significant water splitting during electrodialysis. In particular, the immobilized bipolar interface was easily created on the cation-exchange membrane surface in the electrodialytic systems where multivalent cations served as an electrolyte. Multivalent cations with low solubility product resulted in violent water splitting because they were easily precipitated on the membrane surface in hydroxide form. Therefore, the bipolar interface consisting of H- and OH-affinity groups were formed on the membrane-solution interface. Apparently, water splitting was largely activated with the help of strong electric fields generated between the metal hydroxide layer and fixed charge groups on the membrane surface. Likewise, the accumulation of large molecular counter ions on the membrane surface led to the formation of a fixed bipolar structure that could cause significant water splitting in the over-limiting current region. Therefore, the prevention of the immobilization of bipolar interface on the membrane surface is very essential in improving the process efficiency in a high-current operation.

• BMB Reports
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• v.45 no.2
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• pp.120-125
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• 2012

We have developed a biologist-friendly, Java GUI application (GoBean) for GO term enrichment analysis. It was designed to be a comprehensive and flexible GUI tool for GO term enrichment analysis, combining the merits of other programs and incorporating extensive graphic exploration of enrichment results. An intuitive user interface with multiple panels allows for extensive visual scrutiny of analysis results. The program includes many essential and useful features, such as enrichment analysis algorithms, multiple test correction methods, and versatile filtering of enriched GO terms for more focused analyses. A unique graphic interface reflecting the GO tree structure was devised to facilitate comparisons of multiple GO analysis results, which can provide valuable insights for biological interpretation. Additional features to enhance user convenience include built in ID conversion, evidence code-based gene-GO association filtering, set operations of gene lists and enriched GO terms, and user -provided data files. It is available at http://neon.gachon.ac.kr/GoBean/.

• Tribology and Lubricants
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• v.39 no.1
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• pp.8-12
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• 2023

This study presents a molecular simulation of adhesion control between carbon nanotube (CNT) and Ag thin film deposited on silicon substrate. Rough and flat Ag thin film models were prepared to investigate the effect of surface roughness on adhesion force. Heat treatment was applied to the models to modify the adhesion characteristics of the Ag/CNT interface based on thermal wetting. Simulation results showed that the heat treatment altered the Ag thin film morphology by thermal wetting, causing an increase in contact area of Ag/CNT interface and the adhesion force for both the flat and rough models changed. Despite the increase in contact area, the adhesion force of flat Ag/CNT interface decreased after the heat treatment because of plastic deformation of the Ag thin film. The result suggests that internal stress of the CNT induced by the substrate deformation contributes in reduction of adhesion. Contrarily, heat treatment to the rough model increases adhesion force because of the expanded contact area. The contact area is speculated to be more influential to the adhesion force rather than the internal stress of the CNT on the rough Ag thin film, because the CNT on the rough model contains internal stress regardless of the heat treatment. Therefore, as demonstrated by simulation results, the heat treatment can prevent delamination or wear of CNT coating on a rough metallic substrate by thermal wetting phenomena.

• BMB Reports
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• v.46 no.9
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• pp.460-464
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• 2013

The progression of androgenetic alopecia is closely related to androgen-inducible transforming growth factor (TGF)-${\beta}1$ secretion by hair follicle dermal papilla cells (DPCs) in bald scalp. Physiological levels of androgen exposure were reported to increase reactive oxygen species (ROS) generation. In this study, rat vibrissae dermal papilla cells (DP-6) transfected with androgen receptor showed increased ROS production following androgen treatment. We confirmed that TGF-${\beta}1$ secretion is increased by androgen treatment in DP-6, whereas androgen-inducible TGF-${\beta}1$ was significantly suppressed by the ROSscavenger, N-acetyl cysteine. Therefore, we suggest that induction of TGF-${\beta}1$ by androgen is mediated by ROS in hair follicle DPCs.

• Bulletin of the Korean Chemical Society
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• v.25 no.7
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• pp.1061-1064
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• 2004

Molecular visualization software has the common objective of manipulation and interpretation of data from numerical simulations. They visualize many complicated molecular structures with personal computer and workstation, to help analyze a large quantity of data produced by various computational methods. However, users are often discouraged from using these tools for visualization and analysis due to the difficult and complicated user interface. In this regard, we have developed an easy-to-use three-dimensional molecular visualization and analysis program named POSMOL. This has been developed on the Microsoft Windows platform for the easy and convenient user environment, as a compact program which reads outputs from various computational chemistry software without editing or changing data. The program animates vibration modes which are needed for locating minima and transition states in computational chemistry, draws two and three dimensional (2D and 3D) views of molecular orbitals (including their atomic orbital components and these partial sums) together with molecular systems, measures various geometrical parameters, and edits molecules and molecular structures.

• Journal of Adhesion and Interface
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• v.11 no.3
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• pp.89-99
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• 2010

In this paper, for polymerization of poly(vinyl acetate-co-ethylene) (VAE) by redox system using poly(vinyl alcohol) (PVOH) as emulsifier on the properties of the final emulsion, and pH changes affect the physical properties of the final emulsion was investigated. The results of the molecular weight of PVOH had a dramatic impact on the emulsion properties. The used a low molecular weight of PVOH products was obtained low viscosity and using the high molecular weight of PVOH were obtained high viscosity product. However, changing the pH of the final polymerized product properties for the PVOH obtained different results. Generally, a poly(vinyl acetate) emulsion by a high degree of polymerization and high molecular weight of PVOH was obtained high viscosity of the final emulsion. But, in VAE was lower emulsion viscosity in high pH. This is the molecular weight of the emulsion during the synthesis of PVOH is considered to be affected by degradation. The final viscosity was decreased by grafting ratio and molecular weight were decreased with increasing of pH.

• Korean Journal of Materials Research
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• v.20 no.9
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• pp.478-482
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• 2010

A series of molecular dynamic (MD), finite element (FE) and ab initio simulations are carried out to establish suitable modeling schemes for the continuum-based analysis of aluminum matrix nanocomposites reinforced with carbon nanotubes (CNTs). From a comparison of the MD with FE models and inferences based on bond structures and electron distributions, we propose that the effective thickness of a CNT wall for its continuum representation should be related to the graphitic inter-planar spacing of 3.4${\AA}$. We also show that shell element representation of a CNT structure in the FE models properly simulated the carbon-carbon covalent bonding and long-range interactions in terms of the load-displacement behaviors. Estimation of the effective interfacial elastic properties by ab initio simulations showed that the in-plane interfacial bond strength is negligibly weaker than the normal counterpart due to the nature of the weak secondary bonding at the CNT-Al interface. Therefore, we suggest that a third-phase solid element representation of the CNT-Al interface in nanocomposites is not physically meaningful and that spring or bar element representation of the weak interfacial bonding would be more appropriate as in the cases of polymer matrix counterparts. The possibility of treating the interface as a simply contacted phase boundary is also discussed.

• Interaction and multiscale mechanics
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• v.4 no.3
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• pp.173-185
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• 2011

A multiscale modeling scheme that addresses the influence of the nanoparticle size in nanocomposites consisting of nano-sized spherical particles embedded in a polymer matrix is presented. A micromechanics-based constitutive model for nanoparticle-reinforced polymer composites is derived by incorporating the Eshelby tensor considering the interface effects (Duan et al. 2005a) into the ensemble-volume average method (Ju and Chen 1994). A numerical investigation is carried out to validate the proposed micromechanics-based constitutive model, and a parametric study on the interface moduli is conducted to investigate the effect of interface moduli on the overall behavior of the composites. In addition, molecular dynamics (MD) simulations are performed to determine the mechanical properties of the nanoparticles and polymer. Finally, the overall elastic moduli of the nanoparticle-reinforced polymer composites are estimated using the proposed multiscale approach combining the ensemble-volume average method and the MD simulation. The predictive capability of the proposed multiscale approach has been demonstrated through the multiscale numerical simulations.

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3762-3766
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• 2013

This article examines the modification of surface properties of ultrahigh-molecular-weight polyethylene (UHMWPE) with nanoscale ceramic particles to fabricate an improved composite with butadiene-nitrile rubber (BNR). Adhesion force data showed that ceramic zeolite particles on the surface of UHMWPE modulated the surface state of the polymer and increased its compatibility with BNR. Atomic force microscopy phase images showed that UHMWPE made up the microphase around the zeolite particles and formed the evolving layer with a complex interface. The complex interface resulted in improvements in the mechanical properties of the composite, especially its low-temperature resistance coefficients, thereby improving its performance in low-temperature applications.