• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.163-166
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• 2016

Hydrophobicity is the key concept to understand the water plays in protein folding, protein aggregation, and protein-protein interaction. Traditionally, the hydrophobicity of protein is defined based on the scales of the hydrophobicity of residue, assuming that the hydrophobicity of free amino acids is maintained. Here, we explore how the hydrophobicity of constituting amino acids in protein rely on the protein context, in particular, on the total charge and secondary structures of a protein. To this end, we calculate and investigate the hydration free energy of three short proteins based on the integral-equation theory of liquids. We find that the hydration free energy of charged amino acids is significantly affected by the protein total charge and exhibits contrasting behavior depending on the protein total charge being positive or negative. We also observe that amino acids in the ${\beta}-sheets$ display more enhanced the hydrophobicity than amino acids in the loop, whereas those in the ${\alpha}-helix$ do not clearly show such a tendency. And the salt-bridge forming amino acids also exhibit increase of the hydrophobicity than that with no salt bridge. Our results provide novel insights into the hydrophobicity of amino acids, and will be valuable for rationalizing and predicting the strength of water-mediated interaction involved in the biological activity of proteins.

• KEPCO Journal on Electric Power and Energy
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• v.2 no.3
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• pp.469-475
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• 2016

As we are facing the shortage of oil energy, studies on renewable energy, wind energy research has been naturally getting attention. Among wind energies, ocean wind energy is relatively abundant compared to land wind energy and therefore, is getting much attention in terms of its efficiency. However, the problem is the cost. Generally, the cost ratio of the supporting structure is over 25% of the total installation cost of a offshore wind turbine system. Thus, it is very important to reduce the total installation cost of the offshore wind turbine and develop accurate analysis methodology for various offshore wind turbine foundations. In this study, nonlinear structure-soil interaction analyses have been proposed and conducted for the typical suction bucket model of an offshore wind turbine foundation, and the results were compared with experimental test data for numerical validations.

• Proceedings of the Korea Water Resources Association Conference
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• 2015.05a
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• pp.220-220
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• 2015

Water, energy, and food security already became a risk that threatens people around the world. Increasing of resources demand, rapid urbanization, decreasing of natural resources and climate change are four major problems inducing resources' scarcity. Indeed, water, energy, and food are interconnected each other thus cannot be analyzed separately. That is, for simple example, energy needs water as source for hydropower plant, water needs energy for distribution, and food needs water and energy for production, which is defined as W-E-F nexus. Due to their complicated linkage, it needs a computer model to simulate and analyze the nexus. Development of a computer simulation model using system dynamics approach makes this linkage possible to be visualized and quantified. System dynamics can be defined as an approach to learn the feedback connections of all elements in a complex system, which mean, every element's interaction is simulated simultaneously. Present W-E-F nexus models do not calculate and simulate the element's interaction simultaneously. Existing models only calculate the amount of water and energy resources that needed to provide food, water, or energy without any interaction from the product to resources. The new proposed model tries to cope these lacks by adding the interactions, climate change effect, and government policy to optimize the best options to maintain the resources sustainability. On this first phase of development, the model is developed only to learn and analyze the interaction between elements based on scenario of fulfilling the increasing of resources demand, due to population growth. The model is developed using the Vensim, well-known system dynamics model software. The results are amount of total water, energy, and food demand and production for a certain time period and it is evaluated to determine the sustainability of resources.

• Bulletin of the Korean Chemical Society
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• v.11 no.2
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• pp.144-149
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• 1990

Conformational free energy calculations using an empirical potential function (ECEPP/2) and the hydration shell model were carried out on the sulfonylurea herbicides of bensulfuron methyl (Londax) and metsulfuron methyl (Ally). The conformational energy was minimized from starting conformations which included possible combinations of torsion angles in the molecule. The conformational entropy of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecule in aqueous solution, the hydration free energy of each group was calculated and compared each other. It was found that the low-free-energy conformations of two molecules in aqueous solution prefer the overall folded structure, in which an interaction between the carbonyl group of ester in aryl ring and the first amido group of urea bridge plays an important role. From the analysis of total free energy, the hydration and conformational entropy are known to be essential in stabilizing low-free-energy conformations of Londax, whereas the conformational energy is proved to be a major contribution to the total free energy of low-free-energy conformations of Ally.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.103-113
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• 2014

Hydrophobicity is the key concept to understand the role of water in protein folding, protein self-assembly, and protein-ligand interaction. Conventionally, hydrophobicity of amino acids in a protein has been argued based on hydrophobicity scales determined for individual free amino acids, assuming that those scales are unaltered when amino acids are embedded in a protein. Here, we investigate how the hydrophobicity of constituent amino acids depends on the protein context, in particular, on the total charge and secondary structures of a protein. To this end, we compute and analyze the hydration free energy - free energy change upon hydration quantifying the hydrophobicity - of three short proteins based on the integral-equation theory of liquids. We find that the hydration free energy of charged amino acids is significantly affected by the protein total charge and exhibits contrasting behavior depending on the protein net charge being positive or negative. We also observe that amino acids in the central ${\beta}$-strand sandwiched by ${\beta}$-sheets display more enhanced hydrophobicity than free amino acids, whereas those in the ${\alpha}$-helix do not clearly show such a tendency. Our results provide novel insights into the hydrophobicity of amino acids, and will be valuable for rationalizing and predicting the strength of water-mediated interaction involved in the biological activity of proteins.

• Textile Coloration and Finishing
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• v.21 no.5
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• pp.16-20
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• 2009

Films of Poly(ethylene oxide), PEO, were modified to impart hydrophilicity via UV irradiation. The UV irradiation treatment produced new photo-oxidized groups of carbonyl and ether groups as indicated in ATR and ESCA analysis. It was found that water contact angle decreased from $15^{\circ}C$ to $10^{\circ}C$ and total surface energy of PEO increased from 54.2 mN/m to 76.6 mN/m with increasing UV energy, which was attributed to significant contribution of acid base interaction of the photo-oxidized PEO rather than nonpolar interaction originating from the dominant increase in Lewis acid parameter. The increased hydrophilicity and surface energy were also proved by the decreased water wetting time.

• The Transactions of The Korean Institute of Electrical Engineers
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• v.60 no.4
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• pp.733-738
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• 2011

As increase of nonlinear loads and renewable energy generators (REGs) being connected to power distribution system via inverters, the concern on harmonic problems have increased. Recently, the harmonics evaluation method considering TDD (Total Demand Distortion) is used to analyze the effect of harmonics from inverters on power distribution quality. Harmonic current sources are typically used for simulation of nonlinear load. Most inverter type for REGs is voltage source inverter (VSI). So, harmonic voltage sources are more suitable to analyze impact of renewable energy generator on harmonics problem in power distribution system. In this paper, we presented the circuit model to analyze interaction between harmonics from nonlinear load and REGs. We verified that the harmonic analysis using the proposed circuit model is more appropriate than the harmonics evaluation method considering TDD through case study using PSCAD/EMTDC.

• Proceedings of the IEEK Conference
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• 2000.06b
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• pp.306-309
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• 2000

In this work, we investigated A1 cluster deposition on Al (100) surface using molecular dynamics simulation. A result of simulations showed that large cluster with low energy was proper for good surfaced-films without craters at the low temperatures. We investigated the maximum substrate temperature and the time taken for substrate temperature to reach its maximum as a function of cluster size in the case of the same total energy and in the case of the same energy Per atom. The correlated collisions play an important role in interaction between energetic cluster and surface, and as cluster size and cluster energy increases, the correlated collisions effect affects interaction between energetic cluster and surface.

• Food Science of Animal Resources
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• v.36 no.1
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• pp.109-113
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• 2016

This study aimed to examine the nutrient utilization of rump round meat and lotus root using young (32 wk) and aged hens (108 wk) as an animal model. Rump round meat and lotus root were prepared with or without enzymatic treatment. For each age group of laying hens, a total of 24 Hy-Line Brown laying hens were randomly allotted to one of two dietary treatments with six replicates. For rump round meat, the true total tract retention rate (TTTR) of dry matter (DM) and nitrogen (N) were unaffected by either enzymatic treatment or hen age. However, aged hens had greater (p<0.01) TTTR of energy and crude fat than young hens. Enzymatic treatment did not influence the TTTR of energy or crude fat. In addition, we did not observe any significant interaction between the TTTR of DM, energy, N, or crude fat in rump round meat and hen age or enzymatic treatment. The TTTR of DM remained unchanged between controls and enzyme-treated lotus root for young hens. However, enzyme-treated lotus root exhibited greater (p<0.05) TTTR of DM than control lotus root for aged hens, resulting in a significant interaction (p<0.05). The TTTR of energy and N in lotus roots were greater (p<0.01) for aged hens than for young hens. In conclusion, enzymatic treatment exerted beneficial effects on energy and nutrient utilization in aged hens, suggesting the aged hen model is practical for simulation of metabolism of elderly individuals.

• Journal of Hydrogen and New Energy
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• v.31 no.3
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• pp.293-301
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• 2020

This paper describes a numerical study on the improvement of performance of the 2 vane pump impellers. The design of these impellers was optimized using a commercial computation fluid dynamics code and design of experiments. Geometric design variables were defined by the impeller blade angle distribution. The objective functions were defined as the total head, total efficiency and solid material size of the impellers. The importance of the geometric design variables was analyzed using 2^k factorial designs. The interaction between the total head, total efficiency and solid material size, according to the impeller blade angle distribution, is discussed by analyzing the 2^k factorial design results.