• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2454-2458
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• 2007

Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.41-48
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• 2011

The wettabilities of the partially fluorinated polymers (ethylene-tetrafluoroethylene copolymer (ETFE), ethylenechlorotrifluoroethylene copolymer (ECTFE), and poly(vinylidene fluoride) (PVDF)) were investigated by contact angle measurements. Zisman plots for ETFE and ECTFE exhibited linear relationships, while the Zisman plot for PVDF showed a slight curvature, which was interpreted to indicate strong non-dispersive interactions between the surface and the contacting liquids. The Lifshitz-van der Waals forces of the fluoropolymers were estimated to increase in the order of ETFE < PVDF $\ll$ ECTFE. An evaluation of the polar or "acid-base" interaction energies showed that PVDF, which possesses the most acidic hydrogens among the examined fluoropolymers, has the strongest acid-base interactions.

• 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.

• Journal of the Korean Chemical Society
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• v.64 no.1
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• pp.30-37
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• 2020

The purpose of this study was to identify the problems faced by students in sub-microscopic representation of acid-base reactions. Herein, we selected 30 students of 12^th grade science classes, who had studied various acid-base models. In order to investigate the sub-microscopic representation ability of the students, we developed nine items related to various contexts, such as one type of solute and solvent, two types of solutes and solvent, cases with water as solvent or with nonaqueous solvents. For all items, we consistently observed lack of concept of chemical change. In context of aqueous and nonaqueous solutions, the frequency of lack of concept of chemical bonding was high if ammonia was the solute or solvent. Moreover, the frequency of lack of concept related to the degree of electrolytic dissociation was high. Therefore, chemistry teachers should understand that students' ability to sub-microscopic representation of acid-base reactions can be enhanced by analyzing the difficulties faced by the students in solving diverse acid-base problems.

• Asian-Australasian Journal of Animal Sciences
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• v.23 no.11
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• pp.1462-1468
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• 2010

The effects of vitamin C and vitamin E with selenium on acid-base balance and some stress hormones were evaluated during heat stress in goats. Goats, 1.5 years of age, were divided into control, heat stress and antioxidant treatment groups 1, 2 and 3. Except for the control, all groups were exposed to a temperature of $40{\pm}2^{\circ}C$ with a relative humidity of 30% for 5 h/d for 21 days in a psychrometric chamber. Rectal temperature and respiratory rates were recorded daily post exposure. Blood samples were collected on every 3rd day for estimation of plasma vitamins C and E, total antioxidant activity and hormones, and separate blood samples were taken to estimate acid-base status. The rectal temperature and respiratory rates were increased (p<0.05) in the heat stress group only. Except for pH and $pO_2$, which were increased significantly (p<0.05) other parameters of acid-base balance such as $pCO_2$, $HCO_3^-$, $TCO_2$, BEb, BEcef, PCV and Hb were significantly decreased (p<0.05) in the heat stress group. An improvement in acid-base status was noted in the antioxidant supplemented groups. Prolactin and cortisol levels were significantly (p<0.05) higher and free T3 and T4 levels were significantly (p<0.05) lower in the heat stress group. Levels of prolactin and cortisol were decreased and free T3 and T4 were increased in antioxidant treatment groups. Different levels of antioxidant supplementation resulted in similar protection against heat stress.

• Journal of the Korean Chemical Society
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• v.65 no.1
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• pp.37-47
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• 2021

In this study, the model cognition level of high school science-gifted students about the two types of acid-base models taught in secondary schools was analyzed. In order to find out the model cognition level of students, 12 items were developed based on the acid-base reaction and the dissociation reaction of acids and bases. The subjects of the study were 95 students of two science-gifted schools. As a result of the questionnaire analysis, model cognition levels were analyzed 6 levels in the context of consistency, inconsistency, and unexplainable scope of the two models. In the acid-base reaction item, the largest percentage of students cognized only understanding of the two models. In the acid-base dissociation reaction item, they understood the two models and perceived the 'Known Ignorance' that cognizes the limitations of one model. However, there was only one student who perceived the limitations of both models and all of the 'Unknown Ignorance' that the model could not explain. Through this, we argued that there is a need for educational efforts to raise the model cognition level of science-gifted students.

• Bulletin of the Korean Chemical Society
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• v.25 no.9
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• pp.1379-1384
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• 2004

Rearrangements of 1,3-oxathiolane sulfoxides 8 and 9 in the presence of base are described from a mechanistic viewpoint of sigmatropic and elimination reactions. In the presence of triethylamine the (Z)-sulfoxide 8 gave the corresponding thiolsulfinate 10 by way of dimerization of the sulfenic acid intermediate 2 at room temperature while the (E)-sulfoxide 9 was recovered even after refluxing in ethyl acetate by the reversal of the [2,3]-sigmatropic rearrangement of the sulfenic acid 4. Triethylamine promoted the developing charge separation in the transition state of the sigmatropic rearrangement of the (Z)-sulfoxide 8 to facilitate the ring opening to the sulfenic acid 2. The reason for more facile ring opening of the (Z)-sulfoxide 8 in comparison with the corresponding (E)-sulfoxide 9 is attributable to the differences in the reactivity of the hydrogen adjacent to the carbonyl group. Triethylamine was not strong base to deprotonate the carbonyl-activated methylene hydrogen of the (E)-sulfoxide 9 but enough to catalyze the sigmatropic process of the sulfoxides. The sulfenic acid 2 dimerized to the thiolsulfinate 10 while the sulfenic acid 4 proceeded the sigmatropic ring closure. In the presence of strong base such as potassium hydroxide, the elimination reaction was predominant over the sigmatropic rearrangement. In this reaction condition, both sulfoxides 8a and 9a gave a mixture of the disulfide 12, the isomeric disulfide 14, and the sulfinic acid 13. Under the strong alkaline condition an elimination of activated hydrogen from the carbon adjacent to the carbonyl group to furnish the sulfenic acid 2a and the isomeric sulfenic acid 18. The formation of the transient intermediate in the reaction was proven by isolation of the isomeric disulfide 14. The reactive entity was regarded as the sulfenic acid rather than sulfenate anion under these reaction conditions.

• Applied Chemistry for Engineering
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• v.8 no.2
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• pp.179-190
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• 1997

To study the effects of chemical composition on the fusion temperatures of coal ashes, the chemical composition, mineral matter, and fusion temperature were studied with 54 kinds of coal ash samples including Korean anthracite coals. CaO, MgO and $Fe_2O_3$ were observed to be major fluxing elements in reducing and oxidizing atmosphere. The fluxing effect of $Fe_2O_3$ was increased more in reducing atmosphere. In a base/acid ratio, the fusion temperature decreased with increasing amounts of basic components. Nevertheless, the correlation between a fusion temperature and base/acid ratio was not shown well in a higher ratio of $Fe_2O_3/CaO$. The differences of fusion temperatures between oxidizing and reducing atmosphere showed close relationship with $SiO_2/Al_2O_3$ ratio rather than with $Fe_2O_3$ contents. Multiple regression was used to predict the fusion temperature of coal ashes, and it was established that the major predictors in oxidizing atmosphere were Base/Acid, $Fe_2O_3/CaO$, $SiO_2/Al_2O_3$, and $(SiO_2/A1_2O_3){\cdot}(Base/Acid)$ and Base/Acid, $Fe_2O_3/CaO$, $SiO_2$, and $TiO_2$ were major ones in reducing atmosphere.

• Asian-Australasian Journal of Animal Sciences
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• v.20 no.5
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• pp.742-747
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• 2007

In order to investigate the mechanism of adaptation to long-term heat stress, six female buffalo calves of about 7 to 8 months age, were exposed to the cool-comfort environment (THI 65) for 21 days to obtain normal values of blood acid-base. An adaptive response of acid-base regulation was determined to long term (21 days) exposure of buffalo calves to hot-dry (THI 80) and hot-humid (THI 84) conditions. Higher rectal temperature and respiratory rate was recorded under hot-humid exposure compared to hot-dry. Significant reduction in the rectal temperature and respiratory rate on day 21 of hot-dry exposure indicated early thermal adaptation compared to hot-humid. Decreasing rectal temperature and respiratory rate from day 1 to 21 was associated with concurrent decrease in blood pH and pCO2. Increased plasma chloride concentration with low base excess in blood and in extracellular fluid suggested compensatory response to respiratory alkalosis. Reduced fractional excretion of sodium with increased fractional excretion of potassium and urine flow rate indicated renal adaptive response to heat stress.

• Corrosion Science and Technology
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• v.21 no.1
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• pp.32-40
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• 2022

The o-Vanillin - Glutamine Schiff base [2-Hydroxy-3-Methoxy BenzylidineCarbomyl) -2-Butanoic Acid] was examined for low carbon steel corrosion inhibition in acid media. Weight loss studies were carried out at three different temperatures to determine the inhibition efficiency (IE). Electrochemical impedance spectroscopy revealed that the charge transfer resistance controlled the corrosion reaction and Tafel polarization indicated that the Schiff base acts as mixed mode of inhibitor. SEM images were recorded for the surface morphology of the low carbon steel surface. DFT studies revealed corrosion control mechanisms using quantum chemical parameters such as E_HOMO, E_LUMO, energy gap (∆E), chemical Hardness (η), chemical Softness (σ), Electronegativity (χ), and the fraction of electron transferred (∆N), which is calculated using Gaussian software 09. The gas-phase geometry was fully optimized in the Density Functional Theory (DFT/B3LYP-6-31G (d)).The DFT results are in good agreement with the experimental results. All the results proved that the Schiff Base (2-Hydroxy-3-Metoxy BenzylidineCarbomyl) -2-Butanoic is a suitable alternative for corrosion inhibition of low carbon steel in acid media.