• Journal of the Mineralogical Society of Korea
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• v.30 no.4
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• pp.161-172
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• 2017

Clay minerals play a major role in the geochemical cycles of metals in the Critical Zone, the Earth surface-layer ranging from the groundwater bottom to the tree tops. Atomistic scale research of the very fine particles can help understand the fundamental mechanisms of the important geochemical processes and possibly apply to development of hybrid nanomaterials. Molecular dynamics (MD) simulations can provide atomistic level insights into the crystal structures of clay minerals and the chemical reactivity. Classical MD simulations use a force field which is a parameter set of interatomic pair potentials. The ClayFF force field has been widely used in the MD simulations of dioctahedral clay minerals as the force field was developed mainly based on dioctahedral phyllosilicates. The ClayFF is often used also for trioctahedral mineral simulations, but disagreement exits in selection of the interatomic potential parameters, particularly for Mg atom-types of the octahedral sheet. In this study, MD simulations were performed for trioctahedral clay minerals such as brucite, lizardite, and talc, to test how the two different Mg atom types (i.e., 'mgo' or 'mgh') affect the simulation results. The structural parameters such as lattice parameters and interatomic distances were relatively insensitive to the choice of the parameter, but the vibrational power spectra of hydroxyls were more sensitive to the choice of the parameter particularly for lizardite.

• Journal of the Korean Wood Science and Technology
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• v.33 no.1 s.129
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• pp.48-57
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• 2005

Phthalate esters are known as plasticizers and some of them suspected as endocrine disrupting chemicals. In this study, in order to identify the mechanism of phthalate esters degradation by white rot fungus, phthalic acid, which is major metabolite in the biodegradation of phthalate esters, was used. Phthalic acid 50 ppm was treated in culture medium with Polyporus brumalis. The availability of ABTS oxidation was different from control and phthalic acid treated group after 4 days of incubation. The activity was gradually increased in control group, but not in phthalic acid treated group. Especially, esterase activity of control group was maximized at 10 days of incubation, and then decreased while the activity of phthalic acid treated group was increased. Glucose was used as a carbon source, and the difference of glucose consumption by control and phthalic acid treated group was not significant. However, after 6 days of incubation the residual glucose in culture medium was rapidly decreased. The consumption rate of phthalic acid treated group was lower than control. These results might indicate that the absorption of phthalic acid in culture medium was occurred by mycelium and metabolized through some pathways as that of glucose was. To clearify the chemical modification of phthalic acid in culture medium, phthalic acid was reacted under in vitro condition which mycelium was excluded. The metabolites were analyzed by GC/MS. The results showed that phthalic acid was converted to phthalic acid anhydride by the extracellular enzymes of P. brumalis.

• Applied Chemistry for Engineering
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• v.31 no.2
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• pp.164-171
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• 2020

Adsorption characteristics of reactive red 120 (RR 120) dye by a coal-based granular activated carbon (CGAC) from an aqueous solution were investigated using the amount of activated carbon, pH, initial concentration, contact time and temperature as adsorption variables. Isotherm equilibrium relationship showed that Langmuir's equation fits better than that of Freundlich's equation. The adsorption mechanism was considered to be superior to the adsorption of monolayer with uniform energy distribution. From the evaluated Langmuir separation coefficients (R_L = 0.181~0.644), it was found that this adsorption process belongs to an effective treatment area (R_L = 0~1). The adsorption energy determined by Temkin's equation and Dubinin-Radushkevich's equation was E = 15.31~7.12 J/mol and B = 0.223~0.365 kJ/mol, respectively. The adsorption process showed the physical adsorption (E < 20 J/mol and B < 8 kJ/mol). The adsorption kinetics followed the pseudo first order model. The adsorption reaction of RR 120 dye on CGAC was found to increase spontaneously with increasing the temperature because the free energy change decreased with increasing the temperature. The enthalpy change (12.747 kJ/mol) indicated an endothermic reaction. The isosteric heat of adsorption (△H_x = 9.78~24.21 kJ/mol) for the adsorption reaction of RR 120 by CGAC was revealed to be the physical adsorption (△H_x < 80 kJ/mol).

• Resources Recycling
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• v.29 no.1
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• pp.25-34
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• 2020

Electrochemical Quartz Crystal microbalance is a tool that is capable of measuring nanogram-scale mass change on electrode surface. When applying alternating voltage to the quartz crystal with metal electrode formed on both sides, a resonant frequency by inverse piezoelectric effect depends on its thickness. The resonant frequency changes sensitively by mass change on its electrode surface; frequency increase with metal dissolution and decrease with metal deposition on the electrode surface. The relationship between resonant frequency and mass change is shown by Sauerbrey equation so that the mass change during metal dissolution can be measured in real time. Especially, it is effective in the case of reaction mechanism and rate studies accompanied by precipitation, volatilization, compound formation, etc. resulting in difficulties on ex-situ AA or ICP analysis. However, it should be carefully considered during EQCM experiments that temperature, viscosity, and hydraulic pressure of solution, and stress and surface roughness can affect on the resonant frequency. Application of EQCM was shown as a case study on leaching of platinum using aqueous chlorine for obtaining activation energy. A platinum electrode of quartz crystal oscillator with 1000 Å thickness exposed to solution was used as leaching sample. Electrogenerated chlorine as oxidant was purged and its concentration was controlled in hydrochloric acid solution. From the experimental results, platinum dissolution by chlorine is chemical reaction control with activation energy of 83.5 kJ/mol.

• Journal of Ocean Engineering and Technology
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• v.27 no.5
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• pp.99-104
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• 2013

Recently, various nanoparticles have been used for filler in polymer matrices. The particles of nano size are whether high or not cross-link density in polymer affects the thermal and mechanical properties of one. The properties change as a result of chemical reactions between the nanoparticles and the surface of the polymer. There are two models for nanocomposites: "repulsive interaction" and "attractive interaction" between the nanoparticles and matrix. In this study, the variation in the curing mechanism was examined when nano-size $TiO_2$ was dispersed into an epoxy (Bisphenol A, YD-128) with different curing agents. The results of this study showed that the exothermic temperature and Tg in the case of the nanoparticles used (Jeffamine) (D-180) at room temperature were reduced by an increase in the $TiO_2$ contents because of the "repulsive interaction" between the nanoparticles and the matrix. The tensile strengths were increased by increasing amounts of $TiO_2$ until 3 wt% because of a dispersion strengthening effect caused by the nanoparticles, because of the repulsive interaction. However, such tensile properties decreased at 5 wt% of $TiO_2$, because the $TiO_2$ was agglomerated in the epoxy. In contrast, in the case of the nanoparticles that used NMA and BDMA, the exothermic temperature and Tg tended to rise with increasing amounts of $TiO_2$ as a result of the "attractive interaction." This was because the same amounts of $TiO_2$ were well dispersed in the epoxy. The tensile strength decreased with an increase in the $TiO_2$ contents. In the general attractive interaction model, however, the cross-link density was higher, and tensile strength tended to increase. Therefore, for the nanoparticles that used NMA, it was difficult to conclude that the result was caused by the "attractive model."

• Journal of Radiation Industry
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• v.9 no.4
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• pp.217-221
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• 2015

When reactor coolant leaks occur due to cracks of a steam generator's tube, radioactive materials contained in the primary cooling water in nuclear power plant are forced out toward the secondary systems. At this time the secondary water purification resin in the ion exchange resin tower of the steam generator blowdown system is contaminated by the radioactivity of the leaked radioactive materials, so we pack this in special containers and store temporarily because we could not dispose it by ourselves. If steam generator tube leakage occurs, it produces contaminated spent resins annually about 5,000~7,000 liters. This may increase the amount of nuclear waste productions, a disposal working cost and a unit price of generating electricity in the plant. For this reasons, it is required to develop a decontamination process technique for reducing the radioactive level of these resins enough to handle by the self-disposal method. In this research, First, Investigated the structure and properties of the ion exchange resin used in a steam generator blowdown system. Second, Checked for a occurrence status of contaminated spent resin and a disposal technology. Third, identified the chemical characteristics of the waste radionuclides of the spent resin, and examined ionic bonding and separation mechanism of radioactive nuclear species and a spent resin. Finally, we carried out the decontamination experiment using chemicals, ultrasound, microbubbles, supercritical carbon dioxide to process these spent resin. In the case of the spent resin decontamination method using chemicals, the higher the concentration of the drug decontamination efficiency was higher. In the ultrasound method, foreign matter of the spent resin was removed and was found that the level of radioactivity is below of the MDA. In the microbubbles method, we found that the concentration of the radioactivity decreased after the experiment, so it can be used to the decontamination process of the spent resin. In supercritical carbon dioxide method, we found that it also had a high decontamination efficiency. According to the results of these experiments, almost all decontamination method had a high efficiency, but considering the amounts of the secondary waste productions and work environment of the nuclear power plant, we judged the ultrasound and supercritical carbon dioxide method are suitable for application to the plant and we established the plant applicable decontamination process system on the basis of these two methods.

• Journal of the Korean Society of Marine Environment & Safety
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• v.20 no.6
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• pp.768-773
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• 2014

In this study, experimental and numerical studies for the synthesis of carbon nanotube(CNT) in methane counterflow diffusion flame have been performed. Methane mixed with acetylene($C_2H_2$) was used as a fuel gas and ferrocene was used as a catalyst for synthesis of CNT. The major parameters was $C_2H_2$ mixing rate and mixing rates were 2 %, 6 %, and 10 %. Characteristics of CNT formation on grid were analyzed from SEM images. the chemical reaction mechanism adopted is GRI-MECH 3.0. Numerical results showed that flame temperature and CO mole fraction were increased with increasing acetylene mixing rate. Experimental results showed that the CNT synthesis in 2% acetylene mixture flame better than that of 6% and 10% acetylene mixture flames. It can be considered that 6% and 10% acetylene mixture flames generated the excessive carbon source and then it interrupted the supplement of the carbon source into ferrocene catalyst. It can be found that the supply of appropriate quantity of carbon source can make effect to synthesis of high purity of CNT.

• Korean Journal of Food Science and Technology
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• v.53 no.6
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• pp.706-714
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• 2021

Chemical scavenging of reactive oxygen species (ROS) is considered a major mechanism of antioxidant effects, but preventing ROS generation can be more efficient in attenuating oxidative damage. In this study, the extracts of plants, Solanum lycopersicum, Ailanthus altissima, Equisetum arvense, and Oenothera biennis, were tested to determine whether their antioxidative effects are driven by the prevention of superoxide generation from mitochondria, a major ROS generator. While all the extracts efficiently attenuated the elevation of ROS levels in human fibroblasts and inflammation-induced mice, those of S. lycopersicum, A. altissima, and O. laciniata only suppressed mitochondrial ROS generation and reduced levels of lipofuscin and lipid peroxidation. Furthermore, the extracts of A. altissima and O. laciniata extended the lifespan of fruit flies. Our results suggest that plant extracts with anti-oxidative effects differ in their ability to prevent ROS generation, which may be associated with the attenuation of oxidative damage in cells and animal tissues.

• Journal of Life Science
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• v.29 no.9
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• pp.964-971
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• 2019

Hepatic lipid accumulation and insulin resistance increases in patients with non-alcoholic fatty liver disease. Piperine is a major compound found in black pepper (Piper nigrum) and long pepper (P. longum). Piperine has been used in fine chemical for its anti-cancer, anti-obesity, anti-diabetic, anti-inflammatory and anti-oxidant properties. However, the signaling-based mechanism of piperine and its role as an inhibitor of lipogenesis and insulin resistance in human hepatocyte cells remains ill-defined. In the present study, we explored the effects of piperine on lipid accumulation and insulin resistance, and explored the potential underlying molecular mechanisms in palmitate-treated HepG2 cells. Piperine treatment resulted in a significant reduction of triglyceride content. Furthermore, piperine treatment decreased palmitate-treated intracellular lipid deposition by inhibiting the lipogenic target genes, sterol-regulatory-element-binding protein 1c (SREBP-1c) and fatty acid synthase (FAS); whereas the expression of carnitine palmitoyl transferase (CPT-1) and phosphorylation of acetyl coenzyme A carboxylase (ACC) gene involved in fatty acid oxidation was increased. Moreover, piperine also inhibited the phosphorylation of insulin receptor substrate (IRS)-1 (Ser307). Piperine treatment modulated palmitate-treated lipid accumulation and insulin resistance in HepG2 cells with concomitant reduction of lipogenic target genes, such as SREBP-1 and FAS, and induction of CPT-1-ACC and phosphorylation of IRS-1 (Tyr632)-Akt pathways. Therefore, piperine represents a promising treatment for the prevention of lipid accumulation and insulin resistance.

• Applied Chemistry for Engineering
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• v.32 no.3
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• pp.283-289
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• 2021

Adsorption characteristics of carbol fuchsin (CF) dye by coal-based activated carbon (CAC) were investigated using pH, initial concentration, temperature and contact time as adsorption variables. CF dissociates in water to have a cation, NH₂⁺, which is bonded to the negatively charged surface of the activated carbon in the basic region by electrostatic attraction. Under the optimum condition of pH 11, 96.6% of the initial concentration was adsorbed. Isothermal adsorption behavior was analyzed using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich models. Langmuir's equation was the best fit for the experimental results. Therefore, the adsorption mechanism was expected to be adsorbed as a monolayer on the surface of activated carbon with a uniform energy distribution. From the evaluated Langmuir's dimensionless separation coefficients (R_L = 0.503~0.672), it was found that CF can be effectively treated by activated carbon. The adsorption energies determined by Temkin and Dubinin-Radushkevich models were E = 15.31~7.12 J/mol and B = 0.223~0.365 kJ/mol, respectively. Therefore, the adsorption process was physical (E < 20 J/mol, B < 8 kJ/mol). The experimental result of adsorption kinetics fit better the pseudo second order model. In the adsorption reaction of CF dye to CAC, the negative free energy change increased as the temperature increased. It was found that the spontaneity also increased with increasing temperature. The positive enthalpy change (40.09 kJ/mol) indicated an endothermic reaction.