• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.785-791
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• 2003

We have studied the folding mechanism of β-hairpins from proteins of 1GB1, 3AIT and 1A2P by unfolding simulations at high temperatures. The analysis of trajectories obtained from molecular dynamics simulations in explicit aqueous solution suggests that the three β-hairpin structures follow different mechanism of folding. The results of unfolding simulations showed that the positions of the hydrophobic core residues influence the folding dynamics. We discussed the characteristics of different mechanisms of β-hairpin folding based on the hydrogen-bond-centric and the hydrophobic-centric models.

• 한국정보디스플레이학회:학술대회논문집
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• 2004.08a
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• pp.91-94
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• 2004

We report on the opto-electronic properties of red, green, and blue poly (fluorene) co-polymer light-emitting devices (PLEDs) fabricated on a flexible plastic substrate. The plastic substrate used has a multi-layer structure with water vapor and oxygen transmission rates of less than $10^{-5}$ g/$cm^2$-day-atm and $10^{-7}$ cc/$cm^2$-day-atm, respectively. We obtained a wide range of color gamut and a maximum emission efficiency of 0.7, 10, and 1.7 cd/A for red, green, and blue PLEDs, respectively. Finally, a simple equivalent circuit model is proposed to simulate PLED current density-voltage characteristics.

• 한국정보디스플레이학회:학술대회논문집
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• 2004.08a
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• pp.1151-1154
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• 2004

In this study, we presented a novel method to calculate unknown voltages on the floating electrodes introduced in a unit pixel of TFT-LCDs using three-dimensional molecular director simulation. For the simulation of the potential distribution profiles generated under the influence of the floating electrodes, we used the floating boundary condition on the surface enclosing the floating electrodes. The constraint for the floating boundary condition was derived from the charge neutrality condition about the floating electrodes disconnected from voltage sources. For the pixel with the floating electrodes patterned between the pixel and the data electrodes, we simulated the molecular director and the potential distribution in three-dimension, and then observed the location of the disclination lines around the edge of the pixel electrode. As a result, it was revealed that the floating electrodes significantly affect the electro-optical characteristics such as the location of the disclination line.

• Journal of the Korean Vacuum Society
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• v.10 no.3
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• pp.303-311
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• 2001

The pumping speed and the maximum compression ratio as well as the critical backing pressure as main parameters representing normal and limiting performance of a turbomolecular pump and a compound molecular pump were measured basing on a draft KS of the acceptance test procedure. Characteristics of the molecular pumps of two different kinds were compared and some points for improving regulations of the test procedure were proposed.

• Journal of Radiopharmaceuticals and Molecular Probes
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• v.5 no.2
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• pp.129-134
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• 2019

Over a few decades, copper radioisotopes and their chelation chemistry for radiopharmaceuticals have played crucial role in the radiopharmaceutical science area. A variety of chelators have been required for their stable targeting ability in physiological conditions. For radiolabeling with copper-64 into biomolecules, thermodynamic stability, kinetic inertness, pH stability, and redox stability should be considered. In this regard, many researchers have attempted to develop the chelators that can bind with copper more tightly, rapidly and stably for copper radiolabeling. This review discusses the chemistry of copper, its suitable chelators and characteristics, while elucidating the evaluations of each chelator for radiolabeling.

• Biomolecules & Therapeutics
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• v.23 no.2
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• pp.99-109
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• 2015

Drug development groups are close to discovering another pot of gold-a therapeutic target-similar to the success of imatinib (Gleevec) in the field of cancer biology. Modern molecular biology has improved cancer therapy through the identification of more pharmaceutically viable targets, and yet major problems and risks associated with late-phase cancer therapy remain. Presently, a growing number of reports have initiated a discussion about the benefits of metabolic regulation in cancers. The Warburg effect, a great discovery approximately 70 years ago, addresses the "universality" of cancer characteristics. For instance, most cancer cells prefer aerobic glycolysis instead of mitochondrial respiration. Recently, cancer metabolism has been explained not only by metabolites but also through modern molecular and chemical biological techniques. Scientists are seeking context-dependent universality among cancer types according to metabolic and enzymatic pathway signatures. This review presents current cancer metabolism studies and discusses future directions in cancer therapy targeting bio-energetics, bio-anabolism, and autophagy, emphasizing the important contribution of cancer metabolism in cancer therapy.

• Proceedings of the KSME Conference
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• 2007.05a
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• pp.343-348
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• 2007

Molecular dynamics study of thermal NIL (Nano Imprint Lithography) process is performed to examine stamp-resist interactions. A layered structure consists of Ni stamp, poly-(methylmethacrylate) thin film resist and Si substrate was constructed for isothermal ensemble simulations. Imposing confined periodicity to the layered unit-cell, sequential movement of stamp followed by NVT simulation was implemented in accordance with the real NIL process. Both vdW and electrostatic potentials were considered in all non-bond interactions and resultant interaction energy between stamp and PMMA resist was monitored during stamping and releasing procedures. As a result, the stamp-resist interaction energy shows repulsive and adhesive characteristics in indentation and release respectively and irregular atomic concentration near the patterned layer were observed. Also, the spring back and rearrangement of PMMA molecules were analyzed in releasing process.

• Bulletin of the Korean Chemical Society
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• v.23 no.5
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• pp.699-704
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• 2002

We characterized nanoelectrode arrays prepared from self-assembled monolayers (SAMs) by adsorption from a solution containing thiolated $\beta$-cyclodextrin ($\beta$-CD) and n-alkanethiol on the gold electrode surface, using electrochemical methods. While the framework, the n-hexadecanethiol SAM, effectively blocked electron transfer between the electrode surface and solution-phase redox probe molecules, the $\beta$-CD cavities isolated in the forests of n-hexadecanethiol molecules were shown to act as an ultramicroelectrode array. The shapes of cyclic voltammograms of probe molecules were related to the number densities of $\beta$-CD molecules within the monolayer films. Probe molecules that have the correct combination of physical and chemical characteristics were shown to effectively penetrate the framework through the $\beta$-CD pores and exchange electrons with the electrode surface.

• Journal of Energy Engineering
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• v.23 no.4
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• pp.215-222
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• 2014

A theory-based methodology for describing the thermodynamic properties of molecular nitrogen is presented. The results obtained indicate a successful application of a fully consistent statistical method for the description of a molecular system in different phase states. The method employs a density of states equation for solid nitrogen and a perturbation potential for gaseous and liquid nitrogen. The main characteristics of the calculation method include the need for a minimal number of initial data and the absence of fitting parameters. The adequacy of the physical model that is the basis for the method allows a description of existing experimental data and the peculiarities of the thermodynamic properties.

• Journal of the Korean Ceramic Society
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• v.38 no.1
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• pp.1-8
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• 2001

선택적 가스분리를 위한 분자체탄소(Molecular Sieve Carbon: MSC)로서의 활용을 위해 제조된 활성탄소섬유의 흡착능과 분자체 특성이 다양한 분자크기를 갖는 가스 흡착실험을 통해 조사되었다. 각 활성화 조건별 세공크기분포와 세공발달 전개과정을 유추함으로서, 세공크기분포의 조절이 가능하게 되었으며 활성탄소섬유의 분자체 탄소로서 활용을 용이하게 할 수 있었다. 800, 85$0^{\circ}C$의 온도로 수증기에 의해 활성화한 활성탄소섬유의 경우 burn-off가 각각 50, 40% 정도를 가진 활성탄소섬유가 비교적 작은 분자크기(0.3~0.4nm)의 흡착질에 대한 분자체 특성을 나타냈다. 또한, 다양한 분자크기의 흡착질을 포함하는 혼합가스의 유속과 흡착온도의 조절로서 원하는 흡착질의 선택적 분리를 위해 활성탄소섬유가 갖는 분자체 특성 향상을 보였다.