• Journal of the Korean Chemical Society
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• v.36 no.2
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• pp.197-204
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• 1992

The cationic polymerization of cyclic acetals are investigated theoretically using the semiempirical MINDO/3, MNDO, and $AM_1$, methods. The nucleophilicity and basicity of cyclic acetals can be explained by the negative charge on oxygen atom of cyclic acetals. The reactivity of propagation in the polymerization of cyclic acetals can be represented by the positive charge on $C_2$ atom and the low LUMO energy of active species of cyclic acetals. The reactivity of 2-buthyl-1,3-dioxepane(2-Bu-DOP) of cyclic oxonium and opening carbenium ion form is expected computational stability of the oxonium ion by 5${\sim}$7kcal/mole favoring the carbenium ion. Owing to the rapid equilibrium of these cation forms and the reaction coordinate based on calculation that the reaction coordinate based on calculation that the chain growth $S_N1$ mechanism will be at least as fast as that for $S_N2$ mechanism.

• Journal of Electrochemical Science and Technology
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• v.2 no.1
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• pp.45-50
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• 2011

A series of expanded graphites is prepared from graphite oxide by changing the heat-treatment temperature, and their lithiation/de-lithiation mechanism and rate performance are examined. A featureless sloping profile is observed in their charge-discharge voltage and dilatometry profiles, which is contrasted by the stepwise plateau-like profiles observed with the pristine graphite. With an increase in the heat-treatment temperature from $250^{\circ}C$ to $850^{\circ}C$, the interlayer distance becomes smaller whereas the electric conductivity becomes larger, both of which are resulted from a removal of foreign atoms (mainly oxygen) from the interlayer gaps. The expanded graphite that is prepared by a heat-treatment at $450^{\circ}C$ delivers the best rate performance, which seems to be a trade-off between the $Li^+$ ion diffusivity that is affected by the interlayer distance and electrical conductivity.

• Applied Chemistry for Engineering
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• v.35 no.2
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• pp.140-147
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• 2024

In order to increase the utilization of biomass, an electrochemical performance was considered after manufacturing a carbon anode material (SV-C) for a Setaria viridis-based lithium ion secondary battery through a heat treatment process. When the heat treatment temperature of the Setaria viridis is as low as 750 ℃, the capacitance (1003.3 mAh/g, at 0.1 C) is high due to the negative (-) charge of oxygen present on the surface attracting lithium, along with the low crystallinity and high specific surface area (126 m²/g), but the capacity retention rate is believed to be as low as 61.0% (at 500 cycles and 1 C). In addition, it was confirmed that when the heat treatment temperature increased to 1150 ℃, the carbon layer was condensed to be excellent in arrangement, and the structural defects were reduced, resulting in a significant reduction in the specific surface area (32 m²/g) of the pores. Furthermore, when the surface defects of the anode material are reduced and the crystallinity is increased, the capacity retention rate is as high as 89.7% (at 500 cycles and 1 C), but the degree of defects is small, the active point is reduced, and the specific capacity is considered to be very low at 471.7 mAh/g. In the scope of this study, it was found that in the case of the Setaria viridis-based carbon anode material manufactured according to the heat treatment temperature, the surface oxygen content and crystallinity have higher reliability on the electrochemical properties of the anode material than the specific surface area.

• Applied Chemistry for Engineering
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• v.20 no.2
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• pp.159-164
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• 2009

Monomers of oxetane high explosives were theoretically examined in terms of reactivity, reaction mechanism and process of polymerization substituted by azido $(-CH_2N_3)$, nitrato $(-CH_2ONO_2)$ and hydrazino $(-CH_2N_2H_3)$ which belong to the 5th class hazardous materials and have explosiveness under acid catalyst using MINDO/3, MNDO, and AMI methods for formal charge, heat of formation, and energy level. Nucleophilicity and base of oxetane high explosives could be explained by negative charge size of oxetane oxygen atom and reactivity of oxetane in the growth stage of polymerization under acid catalyzer could be expected to be governed by positive charge size of axial carbon atom and low LUMO energy of electrophile. It could be estimated that carbenium ion was more beneficial in the conversion process of oxetane high explosives than that of stabilization energy (13.90~31.02 kcal/mole) of oxonium ion. In addition, concentration of oxonium ion and carbenium ion in equilibrium state influenced mechanism and it was also estimated that $S_N1$ mechanism reacts faster than that of $S_N2$ in prepolymer growth stage considering quick equilibrium based on form and calculation of polymerization under acid catalyzer.

• Journal of the Korean Geographical Society
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• v.39 no.4
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• pp.544-561
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• 2004

Weekly monitoring of discharge and water quality in forested and agricultural subcatchments were performed to understand the difference of water quality caused by land uses in Doegwollyong area. Correlations between water quality variables including discharge were analyzed for the same purpose. There was little variation of water Quality in forested subcatchment. On the other hand, the range of water quality variation in agricultural subcatchment was wide due to soil loss and the application of chemical fertilizers and livestock manure. Dissolved oxygen(DO) had strong negative correlation with discharge in both subcatchments. Total nitrogen(T-N) and potassium ion(K$^{+}$) had stronger positive correlation with discharge in forested subacatchment than in agricultural one. On the other hand, total suspended sediments(TSS), total phosphorus(T-P), and chemical oxygen demand(COD) had stronger correlation with discharge in agricultural subcatchment than in forested one. As water pollution of the Doam Lake, especially the increase of T-P is serious, soil conservation is very important to improve water quality. In particular, the loss of soil and nutrients from late June till early July were more serious than any other seasons, therefore it is necessary to apply environmentally sustainable methods of cultivation.n.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.29 no.5
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• pp.268-273
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• 2016

In this study, we observed current-voltage characteristics of the MIM (metal-insulator-metal) structure. The $WO_x$ material was used between metal electrodes as the oxide insulator. The structure of the $Al/WO_x/TiN$ shows bipolar resistive switching and the operating direction of the resistive switching is clockwise, which means set at negative voltage and reset at positive voltage. The set process from HRS (high resistance state) to LRS (low resistance state) occurred at -2.6V. The reset process from LRS to HRS occurred at 2.78V. The on/off current ratio was about 10 and resistive switching was performed for 5 cycles in the endurance characteristics. With consecutive switching cycles, the stable $V_{set}$ and $V_{reset}$ were observed. The electrical transport mechanism of the device was based on the migration of oxygen ions and the current-voltage curve is following (Ohm's Law ${\rightarrow}$ Trap-Controlled Space Charge Limited Current ${\rightarrow}$ Ohm's Law) process in the positive voltage region.

• Journal of the Korean institute of surface engineering
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• v.40 no.6
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• pp.245-249
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• 2007

Amorphous IZO films were deposited on PET substrate by DC magnetron sputtering without substrate heating. In order to investigate effect of reactive gas addition on film properties, 0.2-0.4% of $H_2$ or $O_2$ gas was introduced during the deposition. Deposited IZO films were evaluated with mechanical property, electrical property, and water permeability. In the case of $H_2$ gas addition, mechanical property showed clear degradation compared to $O_2$ gas. In the case of $O_2$ gas, water permeability of the IZO film was increased compared to $H_2$ gas which could be attributed to the low adhesion of the film caused by bombardment of high energy negative oxygen ion. As a result, it is confirmed that water permeability of the film could be strongly affected by adhesion of the film.

• 한국생물공학회:학술대회논문집
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• 2001.11a
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• pp.758-761
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• 2001

In this study, the nar promoter of E. coli was characterized to see whether the nar promoter cloned onto pBBR122 can be used as an expression promoter of gram negative microbes. For this purpose, a plasmid with lacZ gene expressing ${\beta}-galactosidase$ instead of the structural genes of nar operon in a gram negative host strain(Agrobacterium.tumefaciens) was used to simplify an assay of induction of the nar promoter. The following effects were investigated to find optimal conditions: methods of inducing the nar promoter, optimal nitrate concentration, maximally inducing the nar promoter, the amount of expressed ${\beta}-galactosidase$ and induction ratio(specific ${\beta}-galactosidase$ activity after maximal induction/specific ${\beta}-galactosidase$ activity before induction). The following results were obtained from the experiments: the growth of Agrobacterium with E.coli nar promoter was not much affected by nitrate concentration in the shake-flask; induction of nar promoter was optimal when Agrobacterium was grown in the presence of 1% nitrate ion at the beginning of culture and when overnight culture was completely grown in the shake-flask before being transferred to other shake-flask; the amount of ${\beta}-galactosidase$ per cell and per medium volume was maximal when Agrobacterium was grown under aerobic condition to $OD_{600}$ of 1.7; then the nar promoter was induced under microaerobic and anaerobic condition made by lowering dissolved oxygen level(DO). After 2-3h of induction in the YEP medium selected as a main culture medium, the specific ${\beta}-galactosidase$ activity became about 17,000 Miller units in the fermentor cluture.

• Restorative Dentistry and Endodontics
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• v.45 no.4
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• pp.54.1-54.16
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• 2020

Objectives: This study aimed to synthesize nanocrystals (NCs) of zinc oxide (ZnO) and calcium ion (Ca²⁺)-doped ZnO with different percentages of calcium oxide (CaO), to evaluate cytotoxicity and to assess the effects of the most promising NCs on cytotoxicity depending on lipopolysaccharide (LPS) stimulation. Materials and Methods: Nanomaterials were synthesized (ZnO and ZnO:xCa, x = 0.7; 1.0; 5.0; 9.0) and characterized using X-ray diffractometry, scanning electron microscopy, and methylene blue degradation. SAOS-2 and RAW 264.7 were treated with NCs, and evaluated for viability using the MTT assay. NCs with lower cytotoxicity were maintained in contact with LPS-stimulated (+LPS) and nonstimulated (-LPS) human dental pulp cells (hDPCs). Cell viability, nitric oxide (NO), and reactive oxygen species (ROS) production were evaluated. Cells kept in culture medium or LPS served as negative and positive controls, respectively. One-way analysis of variance and the Dunnett test (α = 0.05) were used for statistical testing. Results: ZnO:0.7Ca and ZnO:1.0Ca at 10 ㎍/mL were not cytotoxic to SAOS-2 and RAW 264.7. +LPS and -LPS hDPCs treated with ZnO, ZnO:0.7Ca, and ZnO:1.0Ca presented similar NO production to negative control (p > 0.05) and lower production compared to positive control (p < 0.05). All NCs showed reduced ROS production compared with the positive control group both in +LPS and -LPS cells (p < 0.05). Conclusions: NCs were successfully synthesized. ZnO, ZnO:0.7Ca and ZnO:1.0Ca presented the highest percentages of cell viability, decreased ROS and NO production in +LPS cells, and maintenance of NO production at basal levels.

• Journal of the Korean Chemical Society
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• v.32 no.3
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• pp.203-210
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• 1988

Mono-oxo-bridged binuclear molybdenum(V) complex, $[Mo_2O_3(Phen)_2(NCS)_4]$ produces di-oxo-bridged binuclear molybdenum(V) complex, $[Mo_2O_4(Phen)_2(NCS)_2]$ in water + co-solvent, where the co-solvent are acetone, acetonitrile and N,N-dimethylformamide. The rate of conversion of $[Mo_2O_3(Phen)_2(NCS)_4]\;into\;[Mo_2O_4(Phen)_2(NCS)_2]$ has been measured by spectrophotometric method. Temperature was $10^{\circ}C$ to $40^{\circ}C$ and pressure was varied up to 1500 bar. The rate constants are increased with increasing water mole fraction and decreased with increasing concentration of hydrogen ion. The order of oxygen ring formation reaction rate in various cosolvent is as follows, ACT > AN > DMF which is agreed with solvent dielectric constants. The observed negative activation entropy ($[\Delta}S^{\neq}$), activation volume($[\Delta}V^{\neq}$) and activation compressibility coefficient(${\Delta}{\beta}^{\neq}$) values show that the solvent water molecule is strongly attracted to the complex at transition state. From these results, the oxygen ring formation reaction of $[Mo_2O_3(Phen)_2(NCS)_4]$ is believed association mechanism.