• BMB Reports
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• v.33 no.2
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• pp.133-137
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• 2000

To elucidate the effect of oxygen radicals on the molecular properties of proteins, the secondary and tertiary structure and molecular weight size of BSA and ${\beta}$-lactoglobulin were examined after irradiation of proteins at various doses. Gamma-irradiation of protein solutions caused the disruption of the ordered structure of protein molecules as well as degradation, cross-linking, and aggregation of the polypeptide chains. As a model system, BSA and ${\beta}$-lactoglobulin were used as a typical ${\alpha}$-helical and a ${\beta}$-sheet structure protein, respectively. A circular dichroism study showed that the increase of radiation decreased the ordered structure of proteins with a concurrent increase of aperiodic structure content. Fluorescence spectroscopy indicated that irradiation quenched the emission intensity excited at 280 nm. SDS-PAGE and a gel permeation chromatography study indicated that radiation caused initial fragmentation of proteins resulting in a subsequent aggregation due to cross-linking of protein molecules.

• BMB Reports
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• v.35 no.6
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• pp.590-594
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• 2002

To elucidate the effect of gamma-irradiation on the molecular properties of myoglobin, the secondary and tertiary structures, as well as the molecular weight size of the protein, were examined after irradiation at various irradiation doses. Gamma-irradiation of myoglobin solutions caused the disruption of the ordered structure of the protein molecules, as well as degradation, cross-linking, and aggregation of the polypeptide chains. A SDS-PAGE study indicated that irradiation caused initial fragmentation of the proteins and subsequent aggregation, due to cross-linking of the protein molecules. The effect of irradiation on the protein was more significant at lower protein concentrations. Ascorbic acid protected against the degradation and aggregation of proteins by scavenging oxygen radicals that are produced by irradiation. A circular dichroism study showed that an increase of the irradiation decreased the a-helical content of myoglobin with a concurrent increase of the aperiodic structure content. Fluorescence spectroscopy indicated that irradiation increased the emission intensity that was excited at 280 nm.

• Preventive Nutrition and Food Science
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• v.7 no.2
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• pp.184-187
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• 2002

Blood products from slaughterhouses that are not hygienically prepared for disposal or food consumption pose a human health hazard. Gamma irradiation is an effective method for sterilization of blood products, but may introduce changes in the molecular characteristics of proteins. This study evaluated the effects of irradiation on animal plasma proteins. Bovine and porcine blood was obtained from a slaughterhouse and the plasma proteins purified and lyophilized. The secondary structure and molecular weight distribution of the plasma protein solutions and powders were examined after ${\gamma}$-irradiation at 1, 5, 7 and 10 kGy. Gamma-irradiation affected the molecular properties of the protein solutions, but not the protein powders. Circular dichroism and sodium dodecyl sulfate-polyacrylamide gel electrophoresis studies showed that increased doses of ${\gamma}$-irradiation decrease the ordered structure of plasma proteins in solution, and cause initial fragmentation of the polypeptide chains and subsequent aggregation.

• Journal of the Korean Chemical Society
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• v.58 no.5
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• pp.500-503
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• 2014

• Bulletin of the Korean Chemical Society
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• v.28 no.10
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• pp.1697-1704
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• 2007

We present results for transport properties of diatomic fluids by isothermal-isobaric (NpT) equilibrium molecular dynamics (EMD) simulations using Green-Kubo and Einstein formulas. As the molecular elongation of diatomic molecules increases from the spherical monatomic molecule, the diffusion coefficient increases, indicating that longish shape molecules diffuse more than spherical molecules, and the rotational diffusion coefficients are almost the same in the statistical error since random rotation decreases. The calculated translational viscosity decreases with the molecular elongation of diatomic molecule within statistical error bar, while the rotational viscosity increases. The total thermal conductivity decreases as the molecular elongation increases. This result of thermal conductivity for diatomic molecules by EMD simulations is again inconsistent with the earlier results of those by non-equilibrium molecular dynamics (NEMD) simulations even though the missing terms related to rotational degree of freedom into the Green-Kubo and Einstein formulas with regard to the calculation of thermal conductivity for molecular fluids are included.

• Elastomers and Composites
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• v.54 no.3
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• pp.175-181
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• 2019

The research and development of high-performance polymer materials with excellent gas barrier properties has gained considerable attention from the viewpoint of expanding their applications in various fields, including tire automobile parts and the polymer film industry. Natural rubber (NR) has been widely used as a rubber material in real-life, but its application is limited owing to its poor gas barrier properties. In this paper, we study the gas barrier properties of NR, epoxidized natural rubber (ENR), and their blend compositions by using molecular simulation. The results show that ENR-50 has superior oxygen barrier properties than those of NR. Moreover, the oxygen barrier properties of a blend of NR/ENR-50 improve with increasing volume fraction of ENR-50. The trend of improved oxygen barrier properties of NR, ENR-50, and their blend is in good agreement with experimental observations.

• Preventive Nutrition and Food Science
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• v.2 no.1
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• pp.1-5
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• 1997

Solution Properties of polyelectrolytic biopolymers such as chitosen, pectin, alginate and etc. are significantly influenced by molecular weight and salt concentrations. The effect of NaCI concentration on the hydrodynamic properties of chitosan in dilute region was investigated for chitosans of varying molecular weight. Intrinsic vicosity([η]) of citosans with 5 different molecular weight was determined by glass capillary viscometer, and the viscosity average molecular weight was calculated using Mark-Houwink equation. Intrinsic viscosity decreased with increasing NaCI concentration for all chitosan samples, and it was proportional to the logarithmic NaCI concentration, i.e.,[η]∝log{TEX}$(C_{NaCl})^{$\alpha$}${/TEX}. Decreasing trend of[η] with NaCI concentration became more pronounced with increasing molecular weight. It was also found that the a values, indicating {TEX}$C_{NaCl}${/TEX} dependence of[η], were linearly correlated with the logarithmic molecular weight({TEX}$R^{2}${/TEX}=0.980). The chain stiffness parameters(B) were calculated by B=S./{TEX}$([η]_{0.1})^{1.32}${/TEX}, in which S was obtained from slope of [η] va {TEX}$I^{-1/2}${/TEX}. The B values of chitosan samples were determined to be 0.113~0071 with a average of 0.09.

• Advances in Computational Design
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• v.3 no.2
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• pp.147-163
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• 2018

Cementitious composites are multiphase heterogeneous materials with distinct dissimilarity in strength under compression and tension (high under compression and very low under tension). At macro scale, the phenomenon can be well-explained as the material contains physical heterogeneity and pores. But, it is interesting to note that this dissimilarity initiates at molecular level where there is no heterogeneity. In this regard, molecular dynamics based computational investigations are carried out on cement clinkers and calcium silicate hydrate (C-S-H) under tension and compression to trace out the origin of dissimilarity. In the study, effect of strain rate, size of computational volume and presence of un-structured atoms on the obtained response is also investigated. It is identified that certain type of molecular interactions and the molecular structural parameters are responsible for causing the dissimilarity in behavior. Hence, the judiciously modified or tailored molecular structure would not only be able to reduce the extent of dissimilarity, it would also be capable of incorporating the desired properties in heterogeneous composites. The findings of this study would facilitate to take step to scientifically alter the structure of cementitious composites to attain the desired mechanical properties.

• Proceedings of the Korean Fiber Society Conference
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• 1996.04a
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• pp.213-216
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• 1996

The relationship between the chemical structure and properties of UV-cured polyurethane acrylate films has been investigated. Studies have been made on the effects of the molecular weight of polyol, the types of polyol and diluents on the properties such as tensile properties and thermal properties. The glass transition temperature decreased with increasing the molecular weight of polyol. However storage modulus increased by using the diluent containing rigid structure and multifunctional acrylate monomers.

• Journal of the Korean Graphic Arts Communication Society
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• v.12 no.1
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• pp.13-27
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• 1994

Litho printing ink vehicles based on rosin modified phenolic are faster drying, have better durability, are harder and glosser and have greater resistance to water than ones based on ester gums. Ink-Water balance and rheological properties are important in litho printing process. These physical properties is concerned with molecular weight of Resin to use vehicle. So this paper was studied about the effects of changing molecular weight of Rosin modified phenolic on surface tension, viscosity, pseudoplasticity and printablility of Litho Inks. The results were as follows. 1) The surface tension of model inks depended on the molecular weight of the resin : Dispersion componnent of ink increase but non dispersion component decrease as molecular weight of Resin increase. 2) Water pick-up of litho ink is more fast balance, using low molecular weight of Resin. 3) Viscosity, Yield value and Newtonian value of model inks increase as molecular weight of Resin increase. 4) The litho ink prepared with the modified phenolic of which molecular weight is about 20000 showed the highest printing density and gloss.