• Korean Membrane Journal
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• v.5 no.1
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• pp.43-53
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• 2003

The selectivity of a gas in the carbon molecular sieve membrane (CMSM) can be expressed as the ratio of the product of the diffusivity and the solubility of two different gases. The diffusivity is also expressed as the product of the entropy and the total energy (kinetic and potential energy) in the nano-sized pore of the membrane. The present study calculates the entropic-energy and selectivity of penetrant gases such as H$_2$, O$_2$, N$_2$, and CO$_2$ from the gas-in-a box theory to physically analyze the diffusivity of penetrant gas in slit-shaped pore of CMSM focusing on the restriction of gas motion based on the size difference between penetrant gas pairs. The contribution of each energy term is converted to entropic term separately. By the conjugated calculation for each entropic-energy, the entropic effects on diffusivity-selectivity for gas pairs such as H$_2$/N$_2$, CO$_2$/N$_2$, and O$_2$/N$_2$ were analyzed within active pore of CMSM. In the activated diffusion domain, the calculated value of entropic-selectivity lies between 9.25 and 111.6 for H$_2$/N$_2$, between 3.36 and 6.0 for CO$_2$/N$_2$, and between 1.25 and 16.94 for O$_2$/N$_2$, respectively. The size decrement of active pore in CMSM had the direct effect on the reduction of translational entropic-energy and the contribution of vibrational entropic-energy for N$_2$, O$_2$, and H$_2$ was almost negligible. However, the vibrational entropic term of CO$_2$ might extravagantly affect on the entropic-selectivity.

• Bioinformatics and Biosystems
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• v.1 no.2
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• pp.103-108
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• 2006

Computational prediction of protein-ligand binding has been widely used as a tool to discover lead compounds fur new drugs. Prediction accuracy is determined in part by the scoring function used in docking calculations. Diverse scoring functions are available, and these can be classified into force-field based, empirical, and knowledge-based functions depending upon the basic assumptions made in development. Among these, force-field based functions consider physical interactions the most in detail. However, the force-field based functions have the drawback of not including the entropic effect while considering only the energy contribution such as dispersion or electrostatic forces. In this article, a method to take into account of the entropic effect using the colony energy is suggested when force-field based scoring functions is used by extracting conformational information obtained from the pre-existing docking program. An improved result for decoy discrimination is illustrated when the method is applied to the DOCK scoring function, and this implies that more accurate docking calculation is possible.

• Elastomers and Composites
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• v.35 no.1
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• pp.29-37
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• 2000

In this study as a basic research of the elastomer, we show the results of the behavior of the two different chain length polymers in the melt confined between two impenetrable planes. The cubic lattice simulations are conducted in the canonical ensemble with a method that is a combination of reptation and crackshaft bond flip motions. A total of 680 chains which are 544 short chains comprising 10 beads and 136 long chains comprising 160 beads were placed in 20 lattice layers. It was assumed that there is no energetic interactions between covalently connected beads. while all other neighbors will interact with a truncated 6-12 Lennard-Jones potential. From the analysis of the simulation results, it was shown that purely entropic effects caused the shorter chains to partition preferentially to the surface. We also showed that the center of mass density of the shorter chains shows maximum near the surface. This is the opposite phenomena when compared to that of the longer chains. However, the segments of the shorter and the longer chains did not display any significant changes in bond order.

• Proceedings of the Materials Research Society of Korea Conference
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• 2011.05a
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• pp.3.1-3.1
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• 2011

Over the past decade, the major efforts for lowering the cost of electronics has been devoted to increasing the packaging efficiency of the integrated circuits (ICs), which is defined by the ratio of all devices on system-level board compared to the area of the board, and to working on a larger but cheaper substrates. Especially, in flexible electronics, the latter has been the favorable way along with using novel nanomaterials that have excellent mechanical flexibility and electrical properties as active channel materials and conductive films. Here, the tool for achieving large area patterning is by printing methods. Although diverse printing methods have been investigated to produce highly-aligned structures of the nanomaterials with desired patterns, many require laborious processes that need to be further optimized for practical applications, showing a clear limit to the design of the nanomaterial patterns in a large scale assembly. Here, we demonstrate the alignment of highly ordered and dense silicon (Si) NW arrays to anisotropically etched micro-engraved structures using a simple evaporation process. During evaporation, entropic attraction combined with the internal flow of the NW solution induced the alignment of NWs at the corners of pre-defined structures. The assembly characteristics of the NWs were highly dependent on the polarity of the NW solutions. After complete evaporation, the aligned NW arrays were subsequently transferred onto a flexible substrate with 95% selectivity using a direct gravure printing technique. As proof-of-concept, flexible back-gated NW field effect transistors (FETs) were fabricated. The fabricated FETs had an effective hole mobility of 0.17 $cm2/V{\cdot}s$ and an on/off ratio of ${\sim}1.4{\times}104$. These results demonstrate that our NW gravure printing technique is a simple and effective method that can be used to fabricate high-performance flexible electronics based on inorganic materials.

• Macromolecular Research
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• v.14 no.5
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• pp.510-516
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• 2006

Lactide was produced from oligomeric PLA by back-biting reaction of the OH end groups. For optimization of the reaction conditions, the effects of temperature, pressure, PLA molecular weight, and catalyst type on the lactide synthesis were examined. The fraction of D,L-lactide decreased with increasing temperature. Among the various Sn-based catalysts, the D,L-lactide fraction was maximized when SnO was used. A higher yield with lower racemization was observed at lower pressure. The conversion of PLA was maximized at an oligomeric PLA molecular weight of ca. 1380. The yield of lactide increased but the fraction of D,L-lactide decreased with increasing molecular weight. The highest conversion with the lowest racemization degree was obtained at a catalyst concentration of 0.1 wt%. The lactide was more sensitive to racemization because of the entropic effect.

• Bulletin of the Korean Chemical Society
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• v.14 no.4
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• pp.510-514
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• 1993

The retention behavior of proteins was investigated by using reversed-phase chromatography (RPC), comparing to the retention behavior of small molecules in RPC. The evaluation was carried out on a SynChropak RP-P($C_{18}$) column with 0.1% aq. TFA-organic solvent modifier such as acetonitrile, isopropanol, and ethanol. The Z value (the number of solvent molecules required to displace the solute from the surface) was a general index for the characterization of protein retention as a function of organic concentration over a range of temperature between 5 and 70$^{\circ}C$. Van't Hoff plots provided the basis for evaluating the enthalpic and entropic changes associated with the interaction between protein and the stationary phase. Z values did not change significantly at the range of temperature showing the consistent ${\Delta}H^{\circ}$ and ${\Delta}S^{\circ}$ values. From these investigation, it was concluded that the retention behavior of proteins in RPC was able to be predicted by the retention parameters applied to small molecules. Furthermore, myoglobin and hemoglobin in RPC as stated above showed a similar retention behavior regardless of their molecular weights.

• Proceedings of the Korea Information Processing Society Conference
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• 2022.05a
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• pp.370-373
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• 2022

본 연구에서는 전이 엔트로피 개념을 활용하여 주요 상품 선물의 하방 리스크 지수의 정보 흐름을 바탕으로 한 인과관계 네트워크를 구성하였다. 그리고 구성된 네트워크를 활용하여 금융 시장을 분석하였으며, 또한 정보 흐름의 존재 여부를 바탕으로 상품 선물의 하방 리스크 지수의 예측력이 개선될 수 있는지 확인하고자 하였다. 이를 위하여 정보 불확실성의 감소량을 측정하는 전이 엔트로피를 인과관계의 측정 지표로 상정하였으며, 전이 엔트로피 측정 시 발생할 수 있는 유한크기효과(finite size effect)를 조정하는 데 있어서 효과적인 지표인 효율적 전이 엔트로피를 활용하여 정보 흐름 네트워크를 구성하였으며 이를 이용하여 금융 지수 간의 인과관계를 분석하고 EDaR 의 등락 예측에 활용하였다. 그 결과, 금융 시장 지수를 효율적 전이 엔트로피를 이용한 인과관계 네트워크를 활용하여 금융 시장의 복잡계 네트워크 분석이 가능함을 확인하였고, 구성된 네트워크를 활용하여 국내 금융 시장 등락 예측에 있어 더 적은 데이터 열을 활용하여 거의 유사한 예측 결과를 냄으로써 상품 선물 시장 관련 예측의 데이터 열 선택에 활용할 수 있음을 확인하였다.

• Polymer(Korea)
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• v.32 no.5
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• pp.489-496
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• 2008

The thermotropic liquid crystalline behavior of a homologous series of poly[1-{4-(4' nitrophenylazo) phenoxycarbonylalkanoyloxy}ethylene]s (NAPEn, n = $2{\sim}8$,10, the number of methylene units in the spacer) have been investigated. All of the homologues formed monotropic nematic phases. The glass transition temperatures decreased with n. This is attributed to a plasticization of the backbone by the side chains. The isotropic-nematic phase transition temperatures decreased with increasing n up to 7 and showed the odd-even effect. However it became almost constant when n is more than 7. This behavior was rationalized in terms of the change in the average shape of the side chain on varing the parity of the spacer. This rationalization also accounts for the observed variation of the entropic gain for the clearing transition. The mesophase properties of NAPEn were entirely different from those reported for the polymers in which the azobenzene groups are attached to polyacrylate, polymathacrylate, and polystyrene backbones through polymethylene spacers. The results indicate that the mode of chemical linkage of the side group with the main chain plays an important role in the formation, stabilization, and type of mesophase.