• Journal of the Korean Chemical Society
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• v.53 no.3
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• pp.272-278
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• 2009

The optimized structures and vibrational frequencies for $Ca^+-(CO)_n$ and $Ca^+-(CO_2)_n$ (n=1,2) complexes were calculated with MP2 and B3LYP methods employing 6-311++G(2d,p) basis sets. Also the binding energies were investigated for all complexes to compare the stabilities. For $Ca^+-(CO)_n$ C-bonded complexes are more stable than O-bonded complexes. Two stable conformations, linear and $C_{2v}$ form, are possible for $Ca^+-(CO)_2$ complexes and the $C_{2v}$ form is more stable than the linear form. $Ca^+-(CO_2)_2$ also has two possible conformations and linear form has slightly lower energy than $C_{2v}$ form.

• Journal of Korean Society of Environmental Engineers
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• v.28 no.3
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• pp.231-239
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• 2006

In this study, we evaluated the efficiency of using sulfur-$CaCO_3$ complex pellet in the sulfur oxidizing autotrophic denitrification process for synthetic wastewater with high $CaCO_3$ concentration. The sulfur-$CaCO_3$ complex pellet was packed in reactor(R4). Influent ${NO_3}^--N$ loading rate was from 200 to $1,000g/m^3{\cdot}day$. During the operation, average denitrification efficiency of R4 was above 95%. Particularly, the denitrififation rate at $1,000g/m^3{\cdot}day$ loading was 98.96% for R4. High ${NO_3}^--N$ removal efficiency was determined in R4 compared with other reactors. Through $Ca^{2+}$ and alkalinity analyses, we calculated the supplied alkalinity from the packed $CaCO_3$ in the reactor. Sulfur-$CaCO_3$ complex pellet more effectively supplied alkalinity through the dissociation of $CaCO_3$ as compared with other media. Based on these results, sulfur-$CaCO_3$ complex pellet increased the pH buffering capacity while also providing the carbon source to the denitrifying bacteria. Denitrification efficiency of R4 was also higher than other reactors. ESEM pictures of sulfur-$CaCO_3$ complex pellet show higher porosity than that of the granular sulfur. Hence, more denitrifying bacteria attached on the sulfur-$CaCO_3$ complex pellet than on granular sulfur. It can be concluded that the sulfur-$CaCO_3$ complex pellet is a more suitable media for a sulfur oxidizing autotrophic denitrification process as it provides high denitrification efficiency.

• Particle and aerosol research
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• v.9 no.4
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• pp.201-208
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• 2013

Copper (II) and Nickel (II) mimic complexes of enzyme carbonic anhydrase were evaluated under ambient condition for carbon dioxide capture and conversion process. The synthesized complexes were characterized by ATR-FTIR and UV-DR spectroscopy. It was found that all the complexes have biomimetic activity towards $CO_2$ using para-nitrophenyl acetate (p-NPA) hydrolysis as the model reaction. Interestingly, the proper geometry obtained by the restricted orientation of tripodal N atoms in Cu (II) complex of 2,6-bis(2-benzimidazolyl) pyridine showed the highest activity (1.14 au) compared to others. The $CO_2$ bio-mineralization to $CaCO_3$ was carried out via in-vitro crystallization approach. Results indicate that the biomimetic complexes have a role in determining $CaCO_3$ morphology. The present observations establish a qualitative insight for the design of improved small-molecule catalysts for carbon capture.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.31 no.5
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• pp.307-312
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• 2018

Liquid phases in ZnO varistors cause more complex phase development and microstructure, which makes the control of electrical properties and reliability more difficult. Therefore, we have investigated 2 mol% $CaCO_3$ doped $ZnO-Co_3O_4-Cr_2O_3-La_2O_3$ (ZCCLCa) bulk ceramics as one of the compositions without liquid phase sintering additive. The results were as follows: when $CaCO_3$ is added to ZCCLCa ($644{\Omega}cm$) acting as a simple ohmic resistor, CaO does not form a secondary phase with ZnO but is mostly distributed in the grain boundary and has excellent varistor characteristics (high nonlinear coefficient ${\alpha}=78$, low leakage current of $0.06{\mu}A/cm^2$, and high insulation resistance of $1{\times}10^{11}{\Omega}cm$). The main defects $Zn_i^{{\cdot}{\cdot}}$ (AS: 0.16 eV, IS & MS: 0.20 eV) and $V_o^{\bullet}$ (AS: 0.29 eV, IS & MS: 0.37 eV) were found, and the grain boundaries had 1.1 eV with electrically single grain boundary. The resistance of each defect and grain boundary decreases exponentially with increasing the measurement temperature. However, the capacitance (0.2 nF) of the grain boundary was ~1/10 lower than that of the two defects (~3.8 nF, ~2.2 nF) and showed a tendency to decrease as the measurement temperature increased. Therefore, ZCCLCa varistors have high sintering temperature of $1,200^{\circ}C$ due to lack of liquid phase additives, but excellent varistor characteristics are exhibited, which means ZCCLCa is a good candidate for realizing chip type or disc type commercial varistor products with excellent performance.

• Journal of the Korean Applied Science and Technology
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• v.22 no.1
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• pp.28-34
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• 2005

The structure of a carbon monoxide sorption complex of dehydrated fully $Ca^{2+}$-exchanged zeolite X, $|Ca_{46}(CO)_{27}|[Si_{100}Al_{92}O_{384}]$-FAU, has been determined in the cubic space group $Fd\;{\overline{3}}$ at $21^{\circ}C$ (a = 24.970(4) ) by single-crystal X-ray diffraction techniques. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous ${Ca(NO_3)_2}$ for three days, followed by dehydration at $400^{\circ}C$ and $2{\times}10^{-6}$ Torr for two days, and exposure to 100 Torr of zeolitically dry carbon monoxide gas at $21^{\circ}C$. The structure was determined in this atmosphere and was refined, using the 356 reflections for which $F_o$ > $4{\sigma}(F_o)$, to the final error indices $R_1$ = 0.059 and $wR_2$ = 0.087. In this structure, $Ca^{2+}$ ions occupy three crystallographic sites. Sixteen $Ca^{2+}$ ions fill the octahedral site I at the centers of hexagonal prisms (Ca-O = 2.415(7) ${\AA}$). The remaining 30 $Ca^{2+}$ ions are found at two nonequivalent sites II (in the supercages) with occupancies of 3 and 27 ions. Each of these $Ca^{2+}$ ions coordinates to three framework oxygens, either at 2.276(10) or 2.298(8) ${\AA}$, respectively. Twenty-seven carbon monoxide molecules have been sorbed per unit cell, three per supercage. Each coordinates to one of the latter 16 site-II $Ca^{2+}$ ions: C-Ca = 2.72(8) ${\AA}$. The imprecisely determined N-C bond length, 1.26(14) ${\AA}$, differs insignificantly from that in carbon monoxide(g), 1.13 ${\AA}$.

• Journal of Chest Surgery
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• v.34 no.10
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• pp.733-744
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• 2001

Background: The optimal therapeutic strategies for patients with coarctation of the aorta(CoA) and ventricular septal defect(VSD) remain controversial. This study was undertaken to determine the outcome and the need for reintervention following single-stage repair of coarctation with VSD in infants younger than 6 months. Material and Method: Thirty three consecutive patients who underwent single-stage repair of CoA with VSD, from January 1995 to December 2000, at Sejong General Hospital were reviewed retrospectively. Mean age and body weight at repair were 54$\pm$37 days(12 days-171 days) and 3.9$\pm$1.1 kg(1.5~6 kg), respectively. The surgical repair of CoA was performed under deep hypothermic circulatory arrest(CA) in the early period of the study and under regional cerebral perfusion through a direct innominate arterial cannulation without CA in the later period. The technique used in the repair of the CoA was resection and extended end-to-end anastomosis(EEEA; n=16) and extended side-to-side anastomosis(ESSA; n=2) in the early period, and resection and extended end-to-side anastomosis(EESA; n= 15) in the later period. The simultaneous closure of VSD was done with a Dacron patch(n= 16) and autologous pericardium(n=17). Aortic arch hypoplasia was present in 29 patients(88%) and its types were distal(n=18), complete(n=5), and complex(n=6)

• Proceedings of the Korean Society of Applied Pharmacology
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• 1996.04a
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• pp.183-183
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• 1996

Bacteriophage T4 endonuclease V initiates the repair of ultraviolet (UV)-induced pyrimidine dimer photoproducts in duplex DNA. The mechanism of DNA strand cleavage involves four sequential stens: linear diffusion along dsDNA, pyrimidine dimer-specific binding,l pyrimidine dimer-DNA glycosylase activity, and Af lyase activity. Although crystal structure is known for this enzyme, solution structure has not been yet known. In order to elucidate the solution structure of this enzyme NMR spectroscopy was used. As a basis for the NMR peak assignment of the protein, HSQC spectrum was obtained on the uniformly $\^$15/N-labeled T4 endonuclease V. Each amide peak of the spectrum were classified according to amino acid spin systems by interpreting the spectrum of $\^$15/N amino acid-specific labeled T4 endonuclease V. The assignment was mainly obtained from three-dimensional NMR spectra such as 3D NOESY-HMQC, 3D TOCSY-HMQC. These experiments were carried out will uniformly $\^$15/N-labeled sample. In order to assign tile resonance of backbon atom, triple-resonance theree-dimensional NMR experiments were also performed using double labeled($\^$15/N$\^$13/C) sample. 3D HNCA, HN(CO)CA, HNCO, HN(CA)HA spectra were recorded for this purpose. The results of assignments were used to interpret the interaction of this enzyme with DNA. HSQC spectrum was obtained for T4 endonuclease V with specific $\^$15/N-labeled amino acids that have been known for important residue in catalysis. By comparing the spectrum of enzyme*DNA complex with that of the enzyme, we could confirm the important role of some residues of Thr, Arg, Tyr in activity. The results of assignments were also used to predict the secondary structure by chemical shift index (CSI).

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.09a
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• pp.119-120
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• 2004

Urban groundwater has a unique hydrologic system because of the complex surface and subsurface infrastructures such as deep foundation of many high buildings, subway systems, and sewers and public water supply systems. It generally has been considered that increased surface impermeability reduces the amount of groundwater recharge. On the other hand, leaks from sewers and public water supply systems may generate the large amounts of recharges. All of these urban facilities also may change the groundwater quality by the recharge of a myriad of contaminants. This study was performed to determine the factors controlling the recharge of deep groundwater in an urban area, based on the hydrogeochemical characteristics. The term ‘contamination’ in this study means any kind of inflow of shallow groundwater regardless of clean or contaminated. For this study, urban groundwater samples were collected from a total of 310 preexisting wells with the depth over 100 m. Random sampling method was used to select the wells for this study. Major cations together with Si, Al, Fe, Pb, Hg and Mn were analyzed by ICP-AES, and Cl, N $O_3$, N $H_4$, F, Br, S $O_4$and P $O_4$ were analyzed by IC. There are two groups of groundwater, based on hydrochemical characteristics. The first group is distributed broadly from Ca-HC $O_3$ type to Ca-C1+N $O_3$ type; the other group is the Na+K-HC $O_3$ type. The latter group is considered to represent the baseline quality of deep groundwater in the study area. Using the major ions data for the Na+K-HC $O_3$ type water, we evaluated the extent of groundwater contamination, assuming that if subtract the baseline composition from acquired data for a specific water, the remaining concentrations may indicate the degree of contamination. The remainder of each solute for each sample was simply averaged. The results showed that both Ca and HC $O_3$ represent the typical solutes which are quite enriched in urban groundwater. In particular, the P$CO_2$ values calculated using PHREEQC (version 2.8) showed a correlation with the concentrations of maior inorganic components (Na, Mg, Ca, N $O_3$, S $O_4$, etc.). The p$CO_2$ values for the first group waters widely ranged between about 10$^{-3.0}$ atm to 10$^{-1.0}$ atm and differed from those of the background water samples belonging to the Na+K-HC $O_3$ type (<10$^{-3.5}$ atm). Considering that the p$CO_2$ of soil water (near 10$^{-1.5}$ atm), this indicates that inflow of shallow water is very significant in deep groundwaters in the study area. Furthermore, the P$CO_2$ values can be used as an effective parameter to estimate the relative recharge of shallow water and thus the contamination susceptibility. The results of our present study suggest that down to considerable depth, urban groundwater in crystalline aquifer may be considerably affected by the recharge of shallow water (and pollutants) from an adjacent area. We also suggest that for such evaluation, careful examination of systematically collected hydrochemical data is requisite as an effective tool, in addition to hydrologic and hydrogeologic interpretation.ion.ion.

• Economic and Environmental Geology
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• v.32 no.6
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• pp.611-631
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• 1999

Enviromental geochemisty and heary metal contamination at the Kongjueil mine creek were underaken on the basis of physicohemical properties and mineralogy for various kinds of water (surface, mine and ground water),soil, precipitate and sediment collected of April and December in 1998. Hydrgeochemical composition of the water samples are characterized by relatively significant enricant of Ca+Na, alkiali ions $NO_3$ and Cl inground and surfore water, wheras the mine waters are relatively eneripheral water of the mining creek have the characteristics of the (Ca+Mg)-$(HCO_3+SO_4)$type. The pH of the mine water is high acidity (3.24)and high EC (613$\mu$S/cm)compared with those of surface and ground water. The range of $\delta$D and $\delta^{18}O$ values (relative to SMOW) in the waters are shpwn in -50.2 to -61.6% and -7.0 to -8.6$\textperthousand$(d value=5.8 to 8.7). Using computer program, saturation index of albite, calcite, dolomite in mine water are nearly saturated. The gibbiste, kaolinite and smectite are superaturated in the surface and ground water, respectively. Calculated water-mineral reaction and stabilities suggest that weathing of silicate minerals may be stable kaolinite owing to the continuous water-rock reaction. Geochemical modeling showed that mostly toxic heavy metals may exist larfely in the from of metal-sulfate $(MSO_4\;^2)$and free metal $(M^{2+})$ in nmine water. These metals in the ground and surface water could be formed of $CO_3$ and OH complex ions. The average enrichment indices of water samples are 2.72 of the groundwater, 2.26 of the surface water and 14.15 of the acid mine water, normalizing by surface water composition at the non-mining creek, repectively. Characteristics of some major, minor and rate earth elements (Al/Na, K/Na, V/Ni, Cr/V, Ni/Co, La/Ce, Th/Yb, $La_N/Yb_N$, Co/Th, La/Sc and Sc/Th) in soil and sediment are revealed a narrow range and homogeneous compositions may be explained by acidic to intermediate igneous rocks. And these suggested that sediment source of host granitic gneiss colud be due to rocks of high grade metamorphism originated by sedimentary rocks. Maximum concentrations of environmentally toxic elements in sediment and soil are Fe=53.80 wt.% As=660, Cd=4, Cr=175, Cu=158, Mn=1010, Pb=2933, Sb=4 and Zn=3740 ppm, and extremely high concentrations are found are found in the subsurface soil near the ore dump and precipitates. Normalizing by composition of host granitic gneiss, the average enerichment indices are 3.72 of the sediments, 3.48 of the soils, 10.40 of the precipitates of acid mine drainage and 6.25 of the soils near the main adit. The level of enerichment was very severe in mining drainage sediments, while it was not so great in the soils. mineral composition of soil and sediment near the mining area were partly variable being composed of quartz, mica, feldspar, chlorite, vermiculite, bethierin and clay minerals. reddish variable being composed of quartz, mica, feldspar, chlorite, vermiculite, bethierin and clay minerals. Reddish brown precipitation mineral in the acid mine drainage identifies by schwertmanite. From the separated mineralgy, soil and sediment are composed of some pyrite, arsenopyite, chalcopyrite, sphalerite, galena, malachite, goethite and various kinds of hydroxied minerals.

• Korean Journal of Agricultural and Forest Meteorology
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• v.12 no.4
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• pp.307-316
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• 2010

Complex terrain refers to irregular surface properties of the earth that influence gradients in climate, lateral transfer of materials, landscape distribution in soils properties, habitat selection of organisms, and via human preferences, the patterning in development of land use. Complex terrain of mountainous areas represents ca. 20% of the Earth's terrestrial surface; and such regions provide fresh water to at least half of humankind. Most major river systems originate in such terrain, and their resources are often associated with socio-economic competition and political disputes. The goals of the TERRECO-IRTG focus on building a bridge between ecosystem understanding in complex terrain and spatial assessments of ecosystem performance with respect to derived ecosystem services. More specifically, a coordinated assessment framework will be developed from landscape to regional scale applications to quantify trade-offs and will be applied to determine how shifts in climate and land use in complex terrain influence naturally derived ecosystem services. Within the scope of TERRECO, the abiotic and biotic studies of water yield and quality, production and biodiversity, soil processing of materials and trace gas emissions in complex terrain are merged. There is a need to quantitatively understand 1) the ecosystem services derived in regions of complex terrain, 2) the process regulation occurred to maintain those services, and 3) the sensitivities defining thresholds critical in stability of these systems. The TERRECO-IRTG is dedicated to joint study of ecosystems in complex terrain from landscape to regional scales. Our objectives are to reveal the spatial patterns in driving variables of essential ecosystem processes involved in ecosystem services of complex terrain region and hence, to evaluate the resulting ecosystem services, and further to provide new tools for understanding and managing such areas.