• Journal of the Korean Chemical Society
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• v.36 no.4
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• pp.523-535
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• 1992

The conformations of hexapeptides, their complexation with alkali cations and the inhibition of the cation transport by 5,5-diphenylhydantoin(DPH) were studied theoretically using ECEPP/2 and MM2 force field. Several low energy conformations of uncomplexed cyclic hexapepides are obtained, and they adopt compact conformations in which most amide hydrogens form intramolecular hydrogen bond to amide carbonyl oxygens. The complexation energy of the peptide with $Na^+$ ion and DPH is -60 kcaal/mol and -18 kcal/mol, respectively. However, no suitable cavity to bind metal cation exists for the local minima of the peptide, and the internal energy of the uncomplexed hexapeptide having cavity is higher than that of the uncomplexed global minimum of this work by 10 kcal/mol. Also, one of the most important amino acid residue to bind DPH is Glycine, and this can explain experimental observation that the replacement of Gly by Sarcosine (N-methyl Glycine) reduce the inhibition ability of the cation transport.

• Bulletin of the Korean Chemical Society
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• v.17 no.9
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• pp.802-807
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• 1996

Second-order rate constants have been measured spectrophotometrically for the reactions of aryl benzoates (X-C6H4CO2C6H4-Y) with EtO-, Z-C6H4O- and Z-C6H4C(Me)=NO- in absolute ethanol at 25.0 ℃. All the reactions have been performed in the presence of excess 18-crown-6 ether in order to eliminate the catalytic effect shown by alkali metal ion. A good Hammett correlation has been obtained with a large ρ- value (-1.96) when σ- (Z) constant was used for the reaction of p-nitrophenyl benzoate (PNPB) with Z-C6H4O-. Surprisingly, the one for the reaction of PNPB with Z-C6H4C(Me)=NO- gives a small but definitely positive ρ- value (＋0.09). However, for reactions of C6H5CO2C6H4-Y with EtO-, correlation of log k with σ- (Y) constant gives very poor Hammett correlation. A significantly improved linearity has been obtained when σ0 (Y) constant was used, indicating that the leaving group departure is little advanced at the TS of the RDS. For reactions of X-C6H4CO2C6H4-4-NO2 with EtO-, C6H5O- and C6H5C(Me)=NO-, correlations of log k with σ (X) constants for all the three nucleophile systems give good linearity with large positive ρ values, e.g. 2.95, 2.81 and 3.06 for EtO-, C6H5O- and C6H5C(Me)=NO-, respectively. The large ρ values clearly suggest that the present reaction proceeds via a stepwise mechanism in which the formation of the addition intermediate is the RDS.

• Advances in Energy Research
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• v.4 no.3
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• pp.189-202
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• 2016

This work emphasized optimum production of biodiesel using non-edible Prunus armeniaca (Bitter Apricot) oil via transesterification collected from the high altitude areas of Himachal Pradesh, India. In this study the author produced biodiesel through the process of transesterification by using an alkali catalyst with alcohol (methanol and ethanol), under the varying molar ratio (1:6, 1:9, 1:12), variable catalyst percentage (1% and 2%) and temperature ($70^{\circ}C$, $75^{\circ}C$, $80^{\circ}C$, $85^{\circ}C$). Furthermore, a few strong base catalysts were used that includes sodium hydroxide, potassium hydroxide, sodium metal and freshly prepared sodium methoxide. After screening the catalyst, response surface methodology (RSM) in connection with the central composite design (CCD) was used to statistically evaluate and optimize the biodiesel production operation using NaOH as catalyst. It was found that the production of biodiesel achieved an optimum level biodiesel yield with 97.30% FAME conversion under the following reaction conditions: 1) Methanol/oil molar ratio: 1:6, 2) Reaction time: 3h, 3) Catalyst amount: NaOH 2 wt. %, and 4) Reaction temperature: $85^{\circ}C$. The experimental results showed that the optimum production and conversion of biodiesel through the process of transesterification could be achieved under an optimal set of reaction conditions. The biodiesel obtained showed appropriate fuel properties as specified in ASTM, BIS and En- standards.

• Tribology and Lubricants
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• v.35 no.2
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• pp.132-138
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• 2019

In this study, we demonstrate the effects of the acidic properties of montmorillonite (MMT), which is commonly used as a catalyst, on the conversion and selectivity of the dimer acid methyl ester (DAME) synthesis. We synthesize DAME by the dimerization of conjugated linoleic acid methyl ester (CLAME) and oleic acid methyl ester using MMT KSF. Incidentally, trimer acid methyl ester was formed as a by-product during the DAME synthesis. There is a necessity to adequately adjust the strength and quantity of the acid site to control the selectivity of DAME. Therefore, we vary the pH of the MMT acid by using various metal hydroxides. The purpose of this study is to increase the yield of monocyclic dimer acid methyl ester, which is a substance with adequate physical properties for industrial applications (e.g., lubricant and adhesive, etc.), using a heterogeneous catalyst. We report the dimerization of fatty acid methyl ester by using base treated-KSF, and apply it to conjugated soybean oil methyl ester. Then, we transmute the acid site properties of KSF, such as pH of 5 wt.% slurry KSF and various alkali metals (Li, Na, K, Ca). Characterization of base treated-KSF using a pH meter, x-ray diffraction, inductively coupled plasma-atomic emission spectrometer, Brunauer-Emmett-Teller surface analysis, and temperature-programmed desorption. We conduct an analysis of CLAME and DAME using nuclear magnetic resonance spectroscopy, gas chromatography, and gel permeation chromatography. Through these experiments, we demonstrate the effects of the acidic properties of KSF on the conversion and selectivity of the DAME synthesis, and evaluate its industrial potential by application to waste vegetable oil.

• Nuclear Engineering and Technology
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• v.53 no.12
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• pp.3879-3891
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• 2021

A heat pipe residual heat removal system is proposed to be incorporated into the reactor driven subcritical (RDS) facility, which has been proposed by MIT Nuclear Reactor Laboratory for testing and demonstrating the Fluoride-salt-cooled High-temperature Reactor (FHR). It aims to reduce the risk of the system operation after the shutdown of the facility. One of the main components of the system is an air-cooled heat pipe heat exchanger. The alkali-metal high-temperature heat pipe was designed to meet the operation temperature and residual heat removal requirement of the facility. The heat pipe model developed in the previous work was adopted to simulate the designed heat pipe and assess the heat transport capability. 3D numerical simulation of the subcritical facility active zone was performed by the commercial CFD software STAR CCM + to investigate the operation characteristics of this proposed system. The thermal resistance network of the heat pipe was built and incorporated into the CFD model. The nominal condition, partial loss of air flow accident and partial heat pipe failure accident were simulated and analyzed. The results show that the residual heat removal system can provide sufficient cooling of the subcritical facility with a remarkable safety margin. The heat pipe can work under the recommended operation temperature range and the heat flux is below all thermal limits. The facility peak temperature is also lower than the safety limits.

• Corrosion Science and Technology
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• v.22 no.3
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• pp.187-192
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• 2023

The use of biomass is increasing as a response to the convention on climate change. In Korea, a method applied to replace fossil fuels is using wood chips in a cogeneration plant. To remove air pollutants generated by burning wood chips, a selective denitrification facility (Selective catalytic reduction, SCR) is installed downstream. However, problems such as ash deposition and descaling of the equipment surface have been reported. The cause is thought to be unreacted ammonia slip caused by ammonia ions injected into the reducing agent and metal corrosion caused by an acidic environment. Element analysis confirmed that ash contained alkali metals and sulfur that could cause catalyst poisoning, leading to an increase in the size of ash particle and deposition. Measurement of the size of ash deposited inside the facility confirmed that the size of ash deposited on the catalyst was approximately three times larger than the size of generally formed ash. Therefore, it was concluded that a reduction in pore area of the catalyst by ash deposition on the surface of the catalyst could lead to a problem of increasing differential pressure in a denitrification facility.

• Analytical Science and Technology
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• v.37 no.1
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• pp.47-62
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• 2024

Abu Gurdi area is located in the South-eastern Desert of Egypt which considered as volcanic massive sulfide deposits (VMS). The present work aims at investigating the ore mineralogy of Abu Gurdi region in addition to the effectiveness of the hydrometallurgical route for processing these ores using alkaline leaching for the extraction of Zn, Cu, and Pb in the presence of hydrogen peroxide, has been investigated. The factors affecting the efficiency of the alkaline leaching of the used ore including the reagent composition, reagent concentration, leaching temperature, leaching time, and Solid /Liquid ratio, have been investigated. It was noted that the sulfide mineralization consists mainly of chalcopyrite, sphalerite, pyrite, galena and bornite. Gold is detected as rare, disseminated crystals within the gangue minerals. Under supergene conditions, secondary copper minerals (covellite, malachite, chrysocolla and atacamite) were formed. The maximum dissolution efficiencies of Cu, Zn, and Pb at the optimum leaching conditions i.e., 250 g/L NaCO₃ - NaHCO₃ alkali concentration, for 3 hr., at 250 ℃, and 1/5 Solid/liquid (S/L) ratio, were 99.48 %, 96.70 % and 99.11 %, respectively. An apparent activation energy for Zn, Cu and Pb dissolution were 21.599, 21.779 and 23.761 kJ.mol^-1, respectively, which were between those of a typical diffusion-controlled process and a chemical reaction-controlled process. Hence, the diffusion of the solid product layer contributed more than the chemical reaction to control the rate of the leaching process. High pure Cu(OH)₂, Pb(OH)₂, and ZnCl₂ were obtained from the finally obtained leach liquor at the optimum leaching conditions by precipitation at different pH. Finally, highly pure Au metal was separated from the mineralized massive sulfide via using adsorption method.

• Journal of Preventive Medicine and Public Health
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• v.29 no.3 s.54
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• pp.617-637
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• 1996

Occupational dermatosis is one of the most prevalent occupational disorders. However, the extent of the occupational dermatoses including incidences and prevalencies of each disease entity, and etiologic materials are not yet welt stated in Korea. Authors reviewed the literatures on the statistic data and reports on the occupational dermatoses, and surveyed on the occupational dermatoses in two factories, and surveyed the physicians responsible to the occupational dermatoses with formed questionnaire. The results are as follows; 1. Among medical journals published since 1964, there were 31 articles on the occupational dermatoses. Of 31 articles, 18 were case reports and all others were review articles. Of 18 case reports, 9 were epidemiologic survey. The Workers' Periodic Health Examinations revealed that prevalence of the occupational dermatoses was highest(4.36 per 10,000 workers) in 1974, but number of the cases reported were decreased sharply since 1978 with some tendency to increase since 1981. There were 2,240 reported cases of occupational dermatoses between 1966 and 1992, which is 1.90% of all the reported occupational diseases. Skin infection and injuries due to chemicals were most frequent and there were 6 cases of skin cancer. 2. In an epidemiological survey on the dermatoses among 995 workers in a metal product manufacturing factory and 225 workers in a coal chemical factory, there were 794 with dermatomycosis, 296 workers with acne, 130 workers with scar, 123 workers with deformity of toe nails. Scars, photosensitivity dermatitis, deformity of finger and toe nails, and acne were more prevalent in the metal product manufacturing factory(p<0.05). In the metal prouct manufacturing factory, workers treating organic solvents and oils had more dermatoses than those without treating the materials(p<0.05). On the skin patch performed on 16 workers in the metal product manufacturing factory, there were 8 cases of irritation dermatitis and 5 cases of contact dermatitis. Prevalence of contact dermatitis in the metal product manufacturing factory was 1.3%. 3. On the questionnaire survey, 34 dermatologists, 29 doctors of preventive medicine, and 22 family physician replied. The proportion of occupational etiology among all dermatoses assumed by the physicians were below 9%, and the most important occupational dermatosis in Korea was contact dermatitis. Main etiologic materials related to the occupational dermatosis were organic solvent, acid and alkali, and metals. The reason for the scarcity of report of occupational dermatoses were difficulty in diagnosis and physician's ignorance of the occupational etiology. They replied that to prevent the occupational dermatoses in the workplace, the use of protective devices was most important, and development of diagnostic criteria on the occupational dermatoses is urgent. Above results shows us that there is many workers with occupational dermatoses, but they are mostly unreported. Measures to prevent and manage the occupational dermatoses are not satisfactory at present. Hence, authors suggest measures for the precise diagnosis, report and prevention of the occupational dermatoses. a. Dermatologist, preventive physician, and industrial hygienist should work as a team to examine the high risk group and establish the preventive measures. b. Disease entities, diagnostic criteria of occupational dermatoses should be listed, criteria for the compensation and job fitting at recruitment should be established, and manual for the proper treatment and effective prevention of each occupational dermatosis should be developed. c. Patch test antigens against each occupational category should be developed and it should be available to any physicians responsible. d. To facilitate the diagnosis of occupational dermatoses by the doctors responsible for the Workersr Periodic Health Examination, development of standardized questionnaire, education on the techniques of the patch test, and cooperation with the dermatologist in diagnosis of occupational dermatoses is essential.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.18 no.5
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• pp.708-715
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• 2017

Recently, in order to meet the stricter emission regulations, the proportion of after-treatments for vehicles and vessels has been increasing gradually. The objective of this study is to investigate the improvement of $CH_4$ reduction ability of natural gas oxidation catalyst (NGOC), which reduces toxic gases emitted from CNG buses. Thirteen NGOCs were prepared, and the conversion performance of noxious gases according to the type of supports, the loading amount of noble metal, and surfactant and aging were determined. Support Zeolite supported on No. 3 $NGOC(1Pt-1Pd-3MgO-3CeO_2/(46TiO_2+23Al_2O_3+23Zeolite)$ is an anionic alkali metal/earth metal component that improved the oxidation reactivity between CO and NO and noble metal dispersion, and thus enhanced the $CH_4$ reduction ability. As the loading amount of Pd, a noble metal with a high selectivity to $CH_4$, was increased, the number of reaction sites was increased and the ability to reduce $CH_4$ was improved. No. 11 $NGOC(1Pt-1Pd-3MgO-3CeO_2/(Z20+Al80)$(pH=8.5), to which nitrate surfactant had been added, exhibited well dispersed catalyst particles with no agglomeration and improved the $CH_4$ reduction ability by 5-15%. The $NGOC(2Pt-2Pd-3Cr-3MgO/90Al_2O_3)$(48h aging), which was mildly thermal aged for 48h, increased the $CH_4$ reduction ability to about 10% or less as compared with No. 12 NGOC(Fresh).

• Analytical Science and Technology
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• v.9 no.3
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• pp.279-291
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• 1996

The new chelating resins, XAD-2, 4, 16-TAC and XAD-2, 4, 16-TAO were synthesized by Amberlite XAD-2, XAD-4, and XAD-16 macroreticular resins with 2-(2-thiazolylazo)-p-cresol(TAC) and 4-(2-thiazolylazo)orcinol(TAO) as functional groups and were characterized by elemental analysis and FT-IR spectrometry. It was found that the content of functional group in chelating resin was 0.60mmol/g in XAD-16-TAC and 0.68mmol/g in XAD-16-TAO respectively. The chelating resins were stable in acidic and alkaline solution and can be reused over 10 times. The sorption behavior of some metalions to two chelating resins was investigated by batch method, which included batch equilibrium, effect of pH, coexisting ions and masking agent. For the optimum condition of sorption, the time required for equilibrium was about 1 hour and optimum pH was 5. In the presence of anions such as ${SO_4}^{2-}$ and $CH_3COO^-$, the sorption of U(VI) ion was slightly reduced but other anions such as $Cl^-$ and $NO{_3}^-$ revealed no interference effect. Also, sorption capacity of U(VI) ion was decreased by addition of $CO{_3}^{2-}$ ion because of complex formation of $[UO_2(CO_3)_3]^{4-}$, but alkali metals and alkali earth metals including Na(I), K(I), Mg(II), and Ca(II) were not affected for the sorption extent. Masking agent, NTA showed better separation efficiency of U(VI) ion from coexisting metal ions such as Th(IV), Zr(IV), Hf(IV), Cu(II), Cd(II), Pb(II), Ni(II), Zn(II) and Mn(II) than EDTA, CDTA.