• Bulletin of the Korean Chemical Society
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• v.7 no.5
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• pp.395-399
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• 1986

Intramolecular proton transfer equilibria of acetamide and methyl carbamate have been studied theoretically by MNDO MO method. For both substrates, carbonyl-O protonated tautomer was found to be the most stable form, the next most stable one being N-protonated form. Gas phase proton transfers take place by the 1,3-proton rearrangement process and in all cases have prohibitively high activation barriers. When however one solvate water molecule participates in the process, the barriers are lowered substantially and the process proceeds in an intermolecular manner through the intermediacy of the water molecule via a triple-well type potential energy surface; three wells correspond to reactant(RC), intermediate(IC) and product complex(PC) of proton donor-acceptor pairs whereas two transition states(TS) have proton-bridge structure. General scheme of the process can be represented for a substrate with two basic centers(heteroatoms) of A and B as, $$ABH\limits^+\;+\;H_2O\;{\to}\;ABH\limits^+{\cdots}{\limits_{RC}}OH_2\;{\to}\;AB{\cdots}H\limits_{TS}^+{\cdots}{\limits_{1}}OH_2\;{\to}\;AB{\cdots}{\limits_{IC}}H\limits^+OH_2\;{\to}\;BA{\cdots}H\limits_{TS}^+{\cdots}{\limits_{2}}OH_2\;{\to}\;BA H\limits^+{\cdots}{\limits_{PC}}OH_2\;{\to}\;BAH\limits^+\;+\;H_2O$$ Involvement of a second solvate water had negligible effect on the relative stabilities of the tautomers but lowered barrier heights by 5∼6 Kcal/mol. It was calculated that the abundance of the methoxy-O protonated tautomer of the methyl carbamate will be negligible, since the tautomer is unfavorable thermodynamically as well as kinetically. Fully optimized stationary points are reported.

• Korean Chemical Engineering Research
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• v.59 no.2
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• pp.174-179
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• 2021

Recently, hybrid coal research is underway to upgrade low-grade coal. The hybrid coal is made by mixing low-grade coal with bioliquids such as molasses, sugar cane, and lignin. In the case of lignin used here, a large amount of lignin is included in the wastewater of the papermaking process, and thus, research on hybrid coal production using the same is attracting attention. However, since a large amount of metal ions are contained in the lignin wastewater from the papermaking process, substances that corrode the generator are generated during combustion, and the amount of fly ash is increased. To solve this problem, it is essential to remove metal ions in the lignin wastewater. In this study, metal ions were removed by ion exchange with a alumina hollow fiber membrane coated with K-Phillipsite (K-PHI) zeolite. The alumina hollow fiber membrane used as the support was prepared by the nonsolvent induced phase separation (NIPS) method, and K-PHI seeds were prepared by hydrothermal synthesis. The prepared K-PHI seed was seeded on the surface of the support and coated by secondary growth hydrothermal synthesis. The characteristic of prepared coating membrane was analyzed by Scanning Electron Microscope (SEM), X-Ray Diffraction (XRD), Energy Dispersive Spectroscopy (EDX), and the concentration of metal ions before and after ion exchange was measured by Inductively Coupled Plasma Optical Emission Spectrometer (ICP-OES). The extraction amount of K+ is 86 mg/kg, and the extraction amount of Na+ is 54.9 mg/kg. Therefore, K-PHI zeolite membrane has the potential to remove potassium and sodium ions from the solution and can be used in acidic lignin wastewater.

• Economic and Environmental Geology
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• v.53 no.6
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• pp.793-807
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• 2020

The policy for Green New Deal will promote the shift of the application to coal as feedstock from coal as fuel. Coal can be used as fuel for production of hydrogen and as feedstock materials such as synthetic graphite or activated carbon. Hydrogen is obtained from syngas produced through Steam carbon(SC), Water-Gas Shift(WGS), and Carbonation reactions, and these processes should be used in conjunction with CO2 sequestration technology. Anthracite has a potential in terms of cost advantage as a feedstock compared to a petroleum pitch, because Synthetic graphite is prepared by heat treating an anthracite with high rank to a graphitization temperature which is in the range of 2400~2800℃, in the presence of inorganic catalyst such as silicon or iron. From several studies, it has been confirmed that coal-based activated carbon(AC) is manufactured with quality similar to the large specific surface area and much micropore volume of lignin-based AC, can be prepared. Therefore it is expected that lignin-based AC is replaced to coal-based AC.

• New Physics: Sae Mulli
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• v.68 no.11
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• pp.1183-1191
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• 2018

The plasmon behaviors in a superlattice of $GaAs/Al_xGa_{1-x}As$ multiple quantum wells with a half-parabolic confining potential due to different dielectric interfaces are studied under magnetic and electric fields perpendicular and parallel to the superlattice axis by using a previously published theoretical framework. From the density-density correlation functions by considering the intrasubband and the inter-subband transitions under the random phase approximation, we calculate the dispersion energies of the surface and the bulk states as functions of the composition of the multiple quantum well structure and of the magnetic field strength and the average electric field strength over the quantum well. The Raman intensities for various magnetic field strengths and average electric field strengths over the quantum well are also obtained as a function of the energy of the incoming light for these states.

• Applied Chemistry for Engineering
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• v.32 no.3
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• pp.260-267
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• 2021

In this study, a carboxylate-based anionic surfactant SLEC-3 was prepared from coconut oil and the structure was elucidated by using FT-IR, ¹H-NMR and ¹³C-NMR analysis. Measurements of interfacial properties such as critical micelle concentration, static and dynamic surface tensions, emulsification index, and foam stability have shown that SLEC-3 is better in terms of interfacial activity and more effective in lowering interfacial free energy than those of SLES, which has been widely used as a conventional anionic surfactant in the detergent industry. Biodegradability, acute oral toxicity and dermal irritation tests also revealed that SLEC-3 surfactant possesses excellent mildness and low toxicity, indicating the potential applicability in detergents and cleaner products formulation.

• Membrane Journal
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• v.31 no.6
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• pp.426-433
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• 2021

In this study, a novel material polyketone (PK) was chosen and PK micro/nano fiber membranes were fabricated via electrospinning method under various conditions. After that, the potential application in oil-water separation was thoroughly investigated. The surface of microfiber membrane formed under high humidity especially became much rougher than that formed under low humidity. When salt was added to the spinning solution, the diameter of fibers was reduced up to 90% and the nanofiber membranes could be formed. The oil/water emulsions were prepared and separated under gravity condition using the manufactured rPK-LNC and PK-H membranes. The separation characteristics was evaluated by measuring total organic carbon (TOC) and turbidity. Meanwhile, the changes in the physical properties of fiber membranes under various conditions and with or without salt, as well as the changes in oil water separation characteristics were also studied.

• Proceedings of the SCSK Conference
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• 2003.09a
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• pp.338-351
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• 2003

UV radiation is the most dangerous stress factor among permanent environmental impacts on human skin. Consequences of UV exposure are aberrant tissue architecture, alterations in skin cells including functional changes. Nowadays new kinds of outdoor leisure-time activities and changing environmental conditions make the question of sun protection more important than ever. It is necessary to recognize that self-confident consumers do not consider to change their way of life, they demand modern solutions on the basis of new scientific developments. In the past one fundamental principle of cosmetics was the use of physical and organic filter systems against damaging UV-rays. Today new research results demonstrate that natural protecting cell mechanisms can be activated. Suitable biological actives strongly support the protection function not from the surface but from the inside of the cell. A soy seed preparation (SSP) was proven to stimulate natural skin protective functions. The major functions are an increased energy level and the prevention of DNA damage. These functions can I be defined as biological UV protection. The tumor suppressor protein p53 plays a key role in the regulation of DNA repair. p53 must be transferred into the phosphorylated form to work as transcription factor for genes which are regulating the cell cycle or organizing DNA repair. A pretreatment with SSP increases the phosphorylation rate of p53 of chronically UV-irradiated human keratinocytes significantly. According to the same test procedure SSP induces a dramatic increase in the expression of the tumor suppressor protein p14$^{ARF}$ that is supporting the p53 activity by blocking the antagonist of p53, the oncoprotein Mdm2. Mdm2, a ubiquitin E3-ligase, downregulates p53 and at the same time it prevents phosphorylation of p53. The positive influence of the tumor suppressor proteins explains the stimulation of DNA repair and prevention of sunburn cell formation by SSP, which was proven in cell culture experiments. In vivo the increased skin tolerance against UV irradiation by SSP could be confirmed too. We have assumed, that an increased repair potential provides full cell functionality.y.

• Journal of Powder Materials
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• v.29 no.6
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• pp.511-516
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• 2022

Electroless plating is widely utilized in engineering for the metallization of insulator substrates, including polymers, glass, and ceramics, without the need for the application of external potential. Homogeneous nucleation of metals requires the presence of Sn-Pd catalysts, which significantly reduce the activation energy of deposition. Therefore, rinsing conducted during Sn sensitization and Pd activation is a key variable for the formation of a uniform seed layer without the lack or excess of catalysts. Herein, we report the optimized rinsing process for the functionalization of Sn-Pd catalysts, which enables the uniform FeCo metallization of the glass fibers. Rinsing enables good deposition of the FeCo alloy because of the removal of excess catalysts from the glass fiber. Concurrently, excessive rinsing results in a complete removal of the Sn-Pd nucleus. Collectively, the comprehensive study of the proposed nanomaterial preparation and surface science show that the metallization of insulators is a promising technology for electronics, solar cells, catalysts, and mechanical parts.

• Restorative Dentistry and Endodontics
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• v.48 no.1
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• pp.8.1-8.8
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• 2023

Objectives: This study was designed to evaluate the parameters of bonding performance to root dentin, including push-out bond strength and dentinal tubular biomineralization, of a hydraulic bioceramic root-end filling material premixed with dimethyl sulfoxide (Endocem MTA Premixed) in comparison to a conventional powder-liquid-type cement (ProRoot MTA). Materials and Methods: The root canal of a single-rooted premolar was filled with either ProRoot MTA or Endocem MTA Premixed (n = 15). A slice of dentin was obtained from each root. Using the sliced specimen, the push-out bond strength was measured, and the failure pattern was observed under a stereomicroscope. The apical segment was divided into halves; the split surface was observed under a scanning electron microscope, and intratubular biomineralization was examined by observing the precipitates formed in the dentinal tubule. Then, the chemical characteristics of the precipitates were evaluated with energy-dispersive X-ray spectroscopic (EDS) analysis. The data were analyzed using the Student's t-test followed by the Mann-Whitney U test (p < 0.05). Results: No significant difference was found between the 2 tested groups in push-out bond strength, and cohesive failure was the predominant failure type. In both groups, flake-shaped precipitates were observed along dentinal tubules. The EDS analysis indicated that the mass percentage of calcium and phosphorus in the precipitate was similar to that found in hydroxyapatite. Conclusions: Regarding bonding to root dentin, Endocem MTA Premixed may have potential for use as an acceptable root-end filling material.

• Korean Chemical Engineering Research
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• v.61 no.3
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• pp.348-355
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• 2023

Magnesium secondary batteries are attracting much attention due to their potential to replace conventionally used lithium ion batteries. Magnesium secondary battery cathode material Mo₆S₈ were synthesized by molten salt synthesis method and PVC as a carbon materials were added to improve electrochemical properties. Crystal structure, size and surface of the synthesized anode materials were measured through XRD and SEM. Charge-discharge profiles and rate capabilities were measured by battery test system. 2.81 wt% PVC coated sample showed the best rate capabilities of 85.8 mAh/g at 0.125 C-rate, 69.2 mAh/g at 0.5 C-rate, and 60.5 mAh/g at 1 C-rate.