• Journal of Korea Technical Association of The Pulp and Paper Industry
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• v.43 no.5
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• pp.60-67
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• 2011

Hemicelluloses pre-extracted from Korean mixed wood chip were investigated as a wet-end additive. Hemicelluloses dissolved in hot water and alkali solution were isolated by ethyl alcohol precipitation from pre-extractives. They showed molecular weight of 9,000 ~ 27,000 g/mol as revealed by size exclusion chromatography. The reduction of molecular weight through hot water extraction was caused by autohydrolysis. Chemical composition of the hemicelluloses were analyzed with high-performance liquid chromatography and UV-Vis spectroscopy. As the surface charge of isolated hemicelluloses were negative, the adsorption of hemicelluloses onto softwood unbleached kraft pulp fiber was promoted by poly-DADMAC. The physical properties of handsheets increased as the molecular weight of hemicellulose increased. On the other hands, the optical property decreased with hemicellulose adsorption.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.21 no.7
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• pp.615-619
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• 2008

A molecular memory device which has a structure of Al/$Al_2O_3$/ASA-15 LB monolayer/Ti/Al device, was fabricated. To study a charge transfer mechanism of molecular memory devices, current density-voltage (J-V) characteristics were measured at an increasing temperature range from 10 K to 300 K with an interval of 30 K. Strong temperature-dependent electrical property and tunneling through organic monolayer at low bias (below 0.5 V) were appeared. These experimental data were fitted by using a theoretical formula such as the Simmons model. In comparison between the theoretical and the experimental results, it was verified that the fitting results using the Simmons model about direct tunneling was fairly fitted below 0.5 V at both 300 K and 10 K. Hopping conduction was also dominant at all voltage range above 200 K due to charges trapped by defects located within the dielectric stack, including the $Al_2O_3$, organic monolayer and Ti interfaces.

• BMB Reports
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• v.33 no.3
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• pp.268-275
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• 2000

In contrast to the pyrimidine (6-4)pyrimidone photoproduct [(6-4) adduct], its Dewar valence isomer (Dewar product) is low mutagenic and produces a broad range of mutations with a 42 % replicating error frequency. In order to determine the origin of the mutagenic property of the Dewar product, we used experimental NMR restraints and molecular dynamics to determine the solution structure of a Dewar·lesion DNA decamer duplex, which contains a mismatched base pair between the 3'-T residue and an opposed G residue. The 3'-T of the Dewar lesion forms stable hydrogen bonds with the opposite G residue. The helical bending and unwinding angles of the DW/GA duplex, however, are much higher than those of the DW/AA duplex. The stable hydrogen bonding of the G 15 residue does not increase the thermal stability of the overall helix. It also does not restore the distorted backbone conformation of the DNA helix that is caused by the forming of a Dewar lesion. These structural features implicate that no thermal stability, or conformational benefits of G over A opposite the 3'-T of the Dewar lesion, facilitate the preferential incorporation of an A. This is in accordance with the A rule during translesion replication and leads to the low frequent $3'-T{\rightarrow}C$ mutation at this site.

• 한국전산유체공학회:학술대회논문집
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• 2008.03a
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• pp.208-214
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• 2008

The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids (the Lennard-Jones fluid, water and aqueous sodium-chloride solution) confined between two plates that are separated by 1.086 nm; included in the equilibrium properties are the density distribution and the static structure, and the diffusivity in the dynamic property. Three kinds of fluids considered in this study are. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

• 한국전산유체공학회:학술대회논문집
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• 2008.10a
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• pp.208-214
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• 2008

The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids (the Lennard-Jones fluid, water and aqueous sodium-chloride solution) confined between two plates that are separated by 1.086 nm; included in the equilibrium properties are the density distribution and the static structure, and the diffusivity in the dynamic property. Three kinds of fluids considered in this study are. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.15 no.4
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• pp.162-167
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• 2005

As the properties of porous materials during the drying process relate to the atomistic defects of heterogeneous materials such as dislocation, grain, grain boundary, pore, etc., the knowledge of nano-scale analysis is needed in order to accurately analyze the drying process for porous materials. In this study, the atomic behavior of porous materials Is statically predicted by using the molecular dynamics simulation and the nano-scale material properties are computed. The elastic modulus, thermal expansion coefficient, and volumetric heat capacity numerically found from the molecular dynamics simulation are compared with those of experiment and theory and proved the accuracy.

• Carbon letters
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• v.15 no.2
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• pp.129-135
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• 2014

Spinnable pitch for melt-electrospinning was obtained from pyrolized fuel oil by electron beam (E-beam) radiation treatment. The modified pitch was characterized by measuring its elemental composition, softening point, viscosity, molecular weight, and spinnability. The softening point and viscosity properties of the modified pitch were influenced by reforming types (heat or E-beam radiation treatment) and the use of a catalyst. The softening point and molecular weight were increased in proportion to absorbed doses of E-beam radiation and added $AlCl_3$ due to the formation of pitch by free radical polymerization. The range of the molecular weight distribution of the modified pitch becomes narrow with better spinning owing to the generated aromatic compounds with similar molecular weight. The diameter of melt-electrospun pitch fibers under applied power of 20 kV decreased 53% ($4.7{\pm}0.9{\mu}m$) compared to that of melt-spun pitch fibers ($10.2{\pm}2.8{\mu}m$). It is found that E-beam treatment for reforming could be a promising method in terms of time-savings and cost-effectiveness, and the melt-electrospinning method is suitable for the preparation of thinner fibers than those obtained with the conventional melt-spinning method.

• Journal of computational fluids engineering
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• v.14 no.1
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• pp.24-34
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• 2009

The equilibrium molecular-dynamic simulations have been performed to estimate the properties of the three kinds of fluids confined between two plates that are separated by 1.086 nm; included in the statical properties are the density distribution and the static structure, and the autocorrelation velocity function in the dynamic property. Three kinds of fluids considered in this study are the Lennard-Jones fluid, water and aqueous sodium-chloride solution. The water molecules are modeled by using the SPC/E model and the ions by the charged Lennard-Jones particle model. To treat the water molecules, we combined the quaternion coordinates with Euler angles. We also proposed a plausible algorithm to assign the initial position and direction of molecules. The influence of polarization of water molecules as well as the presence of ions in the solution on the properties will be addressed in this study. In addition, we performed the non-equilibrium molecular-dynamic simulation to compute the flow velocity for the case with the gravitational force acting on molecules.

• Preventive Nutrition and Food Science
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• v.10 no.3
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• pp.207-213
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• 2005

Molecular structures and functional properties of starches isolated from normal, waxy, and zero amylose barleys were examined. Amylopectins from zero amylose starch had the largest molecular weight $(M_w)$, whereas those from high amylose starch, the smallest. A good correlation between the $(M_w)$ and the radius of gyration $(R_g)$ was observed among amylopectins from various starches, indicating similar polymeric conformation in solution even with the differences in the $(M_w)$. The debranched amylopectin molecules from different types of barley starches exhibited similar profiles, implying that the packing geometry of double helices in the different types of barley starches may be similar. Zero amylose starch showed the highest peak viscosity (326 RVU) in RV A viscograms at lower pasting temperature $(67.6^{\circ}C)$, compared to normal and high amylose starches. Relationship between RVA peak viscosity and amylose content suggested that the presence of amylose inhibited the development of granular swelling of barley starches during cooking. A rapid retrogradation, traced by differential scanning calorimetry (DSC) and strain-controlled rheometry, occurred in the high amylose starch sample during storage, while zero amylose starch showed a very good resistance to retrogradation, indicating excellent storage stability.

• Fibers and Polymers
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• v.6 no.1
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• pp.35-41
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• 2005

Research and development of nano fiber products is very active over the world. Physical characteristics and dyeing properties of nylon 66 nano fiber were investigated in this study. X-ray diffraction, DSC, analysis of amino end group, and water absorption were performed to get information concerning physical properties of nano fiber. Nylon 66 nano fiber was dyed with high molecular mass acid dyes. Effects of dyeing temperature, pH of dyeing solution, and concentration of acid dyes on dyeing properties such as rate of dyeing and the extent of exhaustion, were examined and compared to those of regu­lar fiber. It was found that nano fiber adsorbed acid dyes at lower temperature, got rapidly dyed, and its extents of exhaustion at specific dyeing temperature were higher than regular fiber. It was also observed that nano fiber could adsorb a large amount of acid dye without a significant loss in the extent of exhaustion. Washing fastness of the dyed nano fiber was lower by $1/2\~1$ grade, light fastness by 1 grade than the dyed regular fiber.