• Journal of the Korean Wood Science and Technology
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• v.45 no.6
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• pp.703-719
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• 2017

Miscanthus had a higher lignin content (19.5 wt%) and carbohydrate (67.6 wt%) than other herbaceous crops, resulting in higher pellet strength and positive effect on combustion. However, miscanthus also contains a high amount of hydrophobic waxes on its outer surface, cuticula, which limits the pellet quality. The glass transition of lignin and cuticula were related to forming inter-particle bonding, which determined mechanical properties of pellet. To determine the effects of surface waxes, both on the pelletizing process and the pellet strength were compared with raw and extracted samples through solvent extraction. In addition, to clarify the relationship between pellet process parameters and bonding mechanisms, the particle size and temperature are varied while maintaining the moisture content of the materials and the die pressure at constant values. Furthermore, kraft lignin was employed to determine the effect of kraft lignin as an additive in the pellets. As results, the removal of cuticula through ethanol extractions improved the mechanical properties of the pellet by the formation of strong inter-particle interactions. Interestingly, the presence of lignin in miscanthus improves its mechanical properties and decreases friction against the inner die at temperatures above the glass transition temperature ($T_g$) of lignin. Consequently, it could found that the use of kraft lignin as an additive in pellet reduced friction in the inner die upon reaching its glass transition temperature.

• Bulletin of the Korean Chemical Society
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• v.24 no.12
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• pp.1742-1750
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• 2003

In order to characterize the hydrophobic parameters of N-acetyl amino acid amides in 1-octanol/water, a theoretical calculation was carried out using a solvation free energy density model. The hydrophobicity parameters of the molecules are obtained with the consideration of the solvation free energy over the solvent volume surrounding the solute, using a grid model. Our method can account for the solvent accessible surface area of the molecules according to conformational variations. Through a comparison of the hydrophobicity of our calculation and that of other experimental/theoretical works, the solvation free energy density model is proven to be a useful tool for the evaluation of the hydrophobicity of amino acids and peptides. In order to evaluate the solvation free energy density model as a method of calculating the activity of drugs using the hydrophobicity of its building blocks, the contracture of Bradykinin potentiating pentapeptide was also predicted from the hydrophobicity of each residue. The solvation free energy density model can be used to employ descriptors for the prediction of peptide activities in drug discovery, as well as to calculate the hydrophobicity of amino acids.

• Journal of the Korean Magnetic Resonance Society
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• v.22 no.4
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• pp.139-143
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• 2018

Short antimicrobial peptide, A4W, have been studied by molecular dynamics (MD) simulation in an explicit dodecylphosphocholine (DPC) micelle. Peptide was aligned with DPC micelle and transferred new peptide-micelle coordinates within the same solvent box using specific micelle topology parameters. After initial energy minimization and equilibration, the conformation and orientation of the peptide were analyzed from trajectories obtained from the RMD (restrained molecular dynamics) or the subsequent free MD. Also, the information of solvation in the backbone and the side chain of the peptide, hydrogen bonding, and the properties of the dynamics were obtained. The results showed that the backbone residues of peptide are either solvated using water or in other case, they relate to hydrogen bonding. These properties could be a critical factor against the insertion mode of interaction. Most of the peptide-micelle interactions come from the hydrophobic interaction between the side chains of peptide and the structural interior of micelle system. The interaction of peptide-micelle, electrostatic potential and hydrogen bonding, between the terminal residues of peptide and the headgroups in micelle were observed. These interactions could be effect on the structure and flexibility of the peptide terminus.

• Journal of the Korean Society of Visualization
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• v.19 no.3
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• pp.123-129
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• 2021

Many plants and animals in nature have superhydrophobic surfaces. This superhydrophobic surface has various properties such as self-cleaning, moisture collection, and anti-icing. In this study, the superhydrophobic properties of PTFE surface were treated by plasma etching. There were four important factors that changed the surface properties. Micro-sized protrusions were formed by plasma etching. The most influential parameter was RF Power. The contact angle of the pristine PTFE surface was about 113.8°. The maximum contact angle of the surface after plasma treatment with optimized parameters was about 168.1°. In this case, the sliding angle was quite small about 1°. These properties made it possible to remove droplets easily from the surface. To verify the self-cleaning effect of the surface, graphite was used to contaminate the surface and remove it with water droplets. Graphite particles were easily removed from the optimized surface compared to the pristine surface. As a result, a surface having water repellency and self-cleaning effects could be produced with optimized plasma etching parameters.

• Applied Biological Chemistry
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• v.38 no.1
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• pp.90-94
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• 1995

Post emergence herbicidal activities$(pI_{50})$ of X-substituted phenylvinylsulfone derivatives(S) in-vivo against rice(Oryza sativa L.), Barnyard grass(Echinochloa crus-galli) and Pickerelweed(Monochoria vaginalis Presl) were measured by the pot test under paddy conditions. The (S) showed herbicidal symptom rapidly with lower activity(average $pI_{50}=2.0$) as proherbicide, which was excellent tolerance to rice. The structure activity relationships(SAR) were analyzed using such a physicochemical parameters as hydrophobic$({\pi})$ and molecular orbital(MO) quantity by the multiple regression technique, and discussed with quantum pharmacology. The herbicidal activities were related to the hydrophobic$({\pi})$ effect of X-substituent and orbital(HOMO & LUMO) energy. In case of Pickerelweed, the effect was rationalized by parabolic function of ${\pi}$ constant, where the optimal value of ${\pi}$ was 1.10. An increase in hydrophobicity and negative orbital energy by the electron attracting X-substituent may contribute to the herbicidal activity. Based on results proposed from SAR analysis, the mode of herbicidal action could be assumed.

• Journal of Microbiology and Biotechnology
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• v.9 no.6
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• pp.832-838
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• 1999

Two different types of lipases (lipase I and lipase II) secreted into culture medium by Rhizopus sp. L-I were purified using a hydrophobic chromatography and were partially characterized. Both enzymes were monomeric as revealed by SDS-PAGE and gel filtration. The molecular masses of the enzymes were identified as 45 kDa (lipase I) and 69 kDa (lipase II). The isoelectric points were estimated to be 3.6 and 5.2 for lipase I and lipase II, respectively. pH and temperature activity optima for lipase I were as 7.5 and $50^{\circ}C$, respectively, whereas the corresponding parameters for lipase II were 6.0 and $45^{\circ}C$. The amino terminal sequences of lipase I and lipase II, determined by Edman degradation, were found to be Leu-Val-Met-Ile-Gln-Arg and Leu-Val-Met-Lys-Gln-Arg, respectively. By western blotting analysis, the two lipases were found to have a common antigenic determinant. Immuno-electron cytochemistry conducted with polyclonal anti-lipase I antibody indicated the enzyme located in both the periplasm and the adjacent vesicles of fungal hyphae. Fortunately, the sites on the cell envelope where lipase was exported into the culture medium was also identified.

• Journal of Korean Society for Atmospheric Environment
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• v.6 no.1
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• pp.85-96
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• 1990

Simultaneous removal efficiencies of hydrophilic and hydrophobic gaseous pollutants are experimentally determined, and the macroscopic removal mechanism of pollutants in a dry scrubber is analyzed using the extended model of three phase equilibrium distribution of pollutant at high temperatures that can describe the different morphological conditions of adsorbent and water at varying relative humidities. For the simplicity, the inside of spray dryer is divided into three regions of ; (1) absorption, (2) three-phase equilibrium, and (3) adsorption, and the removal efficiencies of each pollutants at three regions are observed at different experimental conditions to estimate the effects of important parameters of dry scrubber. The laboratory experiments simulate the three regions of spray dryer with the temperature control and thus evaporation rate of water from the slurry particle. $SO_2$ as a hydrophilic gaseous pollutant and vinyl chloride as a hydrophobic toxic gas are selected for the future field application to soid waste incineration, and the two types of slurry are made of the two sorbents ; 10 wt.% $Ca(OH)_2$, and 10 wt.% NaOH. Result of temperature effect shows the height of absorption plus three-phase region is decreased as the operation temperature is increased, which results in the lower removal efficiency of $SO_2$ but higher removal for vinyl chloride in the adsorption region of dry scrubber. The removal efficiency of $SO_2$ is higher by NaOH slurry than by $Ca(OH)_2$ slurry due to the hygroscopic nature of NaOH, while the removal of vinyl chloride is higher in $Ca(OH)_2$ case. From the analysis of redults using three-phase equilibrium distribution model, the effective two-phase partition coefficients can be obtained, and the possible extention in the application of the three-phase equilibrium model in a dry scrubber design has been demonstrated.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.505-505
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• 2011

The control of wettability of thin films is of great importance and its success surely brings us huge applications such as self-cleaning, antifogging and bio-passive treatments. Usually, the control is accomplished by modifying either surface energy or surface topography of films. In general, hydrophobic surface can be produced by coating low surface energy materials such as fluoropolymer or by increasing surface roughness. In contrast, to enhance the hydrophillicity of solid surfaces, high surface energy and smoothness are required. Silica (SiO2) is environmentally safe, harmless to human body and excellently inert to most chemicals. Also its chemical composition is made up of the most abundant elements on the earth's crest, which means that SiO2 is inherently economical in synthesis. Moreover, modification in chemistry of SiO2 into various inorganic-organic hybrid materials and synthesis of films are easily undertaken with the sol-gel process. The contact angle of water on a flat silica surface on which the Young's equation operates shows ~50o. This is a slightly hydrophilic surface. Many attempts have been made to enhance hydrophilicity of silica surfaces. In recent years, superhydrophilic and antireflective coatings of silica were fabricated from silica nanoparticles and polyelectrolytes via a layer-by-layer assembly and postcalcination treatment. This coating layer has a high transmittance value of 97.1% and a short water spread time to flat of <0.5 s, indicating that both antireflective and superhydrophilic functions were realized on the silica surfaces. In this study, we assessed hydrophillicity and hydrophobicity of silica coating layers that were synthesized using the sol-gel process. Systematic changes of processing parameters greatly influence their surface properties.

• Applied Chemistry for Engineering
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• v.25 no.6
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• pp.598-601
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• 2014

The effects of process parameters for the formation of polypropylene film such as the polypropylene concentration in the solution, drying temperature for coating film, and variation of nano-silica content on the surface structure and property of polypropylene film have been studied. A super-hydrophobic polypropylene film with a maximum contact angle of $154^{\circ}$ was obtained at the condition of a polypropylene concentration of 30 mg/mL, a drying temperature of $30^{\circ}C$, a drying pressure of 93 mtorr for 90 min. The increase of a drying temperature reduced the contact angle by enhancing the surface smoothness of the film. The increase of nano-silica content in the composite film composed of polypropylene and silica changed the surface shape from microporous to microglobular, which led to increasing the contact angle and showed the super-hydrophobic surface property.

• Journal of Electrochemical Science and Technology
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• v.10 no.4
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• pp.345-360
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• 2019

Polymer Electrolyte Membrane Fuel Cells (PEMFC) is one of the leading advanced energy conversion technology for the use in transport. It generates water droplets through the catalytic processes and dispenses the water through the gas-flowed microchannels. The droplets in the dispensing microchannel experience g-forces from different directions during the operation in transport. Therefore, this paper reviews the computational modelling topics of droplet dynamics behaviour specifically for three categories, i.e. (i) the droplet sliding down a surface, (ii) the droplet moving in a gas-flowed microchannel, and (iii) the droplet jumping upon coalescence on superhydrophobic surface; in particular for the parameters like hydrophobicity surfaces, droplet sizes, numerical methods, channel sizes, wall conditions, popular references and boundary conditions.