• 대한화학회지
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• 제53권3호
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• pp.272-278
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• 2009

$Ca^+-(CO)_n$,과 $Ca^+-(CO_2)_n$ (n=1,2) complex에 대한 구조와 결합 에너지를 MP2/6-311++G(2d,p) 방 법과 B3LYP/6-311++G(2d,p) 방법에 의해 계산하였고 vibrational frequencies도 계산하였다. $Ca^+-(CO)_n$의 경우 C-bonded complex와 O-bonded complex가 다 가능함을 보였고, $Ca^+-(CO)_2$에서는 선형과 $C_{2v}$ 형태가 나타남을 볼 수 있었으며 더 안정한 형태는 $C_{2v}$ 구조로 밝혀졌다. $Ca^+-(CO_2)_2$에서도 선형과 $C_{2v}$ 형태를 볼 수 있는데 이 경우는 선형이 근소한 에너지 차이로 더 안정한 것으로 나타났다.

• 대한환경공학회지
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• 제28권3호
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• pp.231-239
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• 2006

본 연구에서는 인공 폐수에 포함된 고농도의 ${NO_3}^--N$을 제거하기 위해 황 산화 독립영양 탈질공정으로 sulfur-$CaCO_3$ 복합담체를 이용하여 탈질효율을 평가하였다 sulfur-$CaCO_3$ 복합 담체를 반응기(R4)에 충진하였다. 유입수 중 ${NO_3}^--N$ 부하량이 $200{\sim}1000g/m^3{\cdot}day$일 때 sulfur-$CaCO_3$ 복합 담체를 충진한 반응기의 탈질효율은 95.0% 이상의 높은 탈질효율을 보였다. 특히 ${NO_3}^--N$의 부하량이 $1000g/m^3{\cdot}day$일 때의 R4의 평균 ${NO_3}^--N$ 제거율은 98.7%로 sulfur-$CaCO_3$ 복합 담체를 충진한 반응기가 다른 반응기보다 높은 탈질 효율을 보였다. $Ca^{2+}$와 알칼리도의 분석을 통해, 각 반응기에 충진된 $CaCO_3$에 의한 알칼리도 공급량을 보면 다른 반응기 보다 sulfur-$CaCO_3$ 복합 담체를 충진한 반응기에 존재하는 $CaCO_3$가 매우 효과적으로 해리되면서 알칼리도를 공급하였다는 것을 확인할 수 있었다. 이렇게 효과적으로 알칼리도가 공급되면서 황 산화 독립영양 탈질 과정에서 발생된 $H^+$에 의해 저하된 pH를 보정하고 탈질 미생물의 탄소원을 공급하여 다른 반응기보다 높은 탈질 효율을 보인 것이다. ESEM을 사용하여 Sulfur-$CaCO_3$ 복합 담체의 표면을 측정한 결과 황담체 표면보다는 sulfur-$CaCO_3$ 복합 담체의 표면에 많은 공극이 존재하여 미생물이 부착 할 수 있는 표면적이 증가되어 많은 미생물이 부착할 수 있어 탈질 효율을 증가시키게 된다. 결론적으로 sulfur-$CaCO_3$ 복합담체를 이용한 황 산화 독립영양 탈질공정은 고농도의 ${NO_3}^--N$을 효과적으로 처리할 수 있었다.

• 한국입자에어로졸학회지
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• 제9권4호
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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.

• 한국전기전자재료학회논문지
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• 제31권5호
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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.

• 한국응용과학기술학회지
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• 제22권1호
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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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• 제34권10호
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• pp.733-744
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• 2001

배경: 대동맥 축착증과 심실중격결손이 동반된 환아의 적절한 치료 방침에 대해서는 이견이 많다. 본 연구는 생후 6개월 이하의 환아에서 대동맥 축착증과 심실중격결손의 일타 완전교정 결과 및 수술방법에 따른 대동맥 축착증의 재발에 대해 알아보고자 하였다. 대상 및 방법: 1995년 1월부터 2000년 12월가지 본원에서 대동맥 축착증과 심실중격결손으로 일차 완전교정을 시행받은 생후 6개월 이하의 환아 33명을 대상으로 후향적으로 조사하였다. 환아의 평균 연령과 체중은 각각 54$\pm$37일(12일~171일)과 3.9$\pm$1.1kg(1.5~6kg)이었다. 대동맥 축착 고정은 연구 초기에는 저체온하 완전순환정지하에서 시행하였으며 최근에는 순환정지없이 무명동맥을 통한 국소 뇌관류 상태에서 시행하였다. 축착증 교정 방법은 초기에는 Extended cad-to-end anastomosis(EEEA;n=16)와 Extended side-to-side anastomosis(ESSA;n=2)를, 최근에는 Extended end-to-sidc anasto mosis(EESA;n=15)를 이용하였다 심실중격결손은 초기 16명에서는 Dacron을, 최근 17명에서는 자가 심낭편을 이용하여 폐쇄하였다. 대동맥궁 발육부전은 29명(88%)에서 있었으며 원위부 발육부전 18명, 완전형 5명, 그리고 복잡형은 6명이었다.

• 한국응용약물학회:학술대회논문집
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• 한국응용약물학회 1996년도 춘계학술대회
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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).

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2004년도 임시총회 및 추계학술발표회
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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.

• 자원환경지질
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• 제32권6호
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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.

• 한국농림기상학회지
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• 제12권4호
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• pp.307-316
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• 2010

산지복잡지형은 지구표면의 약 20%를 차지하며, 절반 정도의 인류에게 맑은 물을 제공하는 지역이고, 대부분의 주요하천의 발원지로서 국가 혹은 지역 간 사회-경제적 경쟁과 정치적 논란의 대상지역이기도 하다. 산지경관생태계는 우리에게 폭넓은 생태계 생산물과 서비스(맑은 물, 에너지, 식량 및 산림자원 등)를 제공하며, 관광과 휴식활동의 대상으로 크게 부각되고 있다. 이들 지역은 특히 매우 높은 생물다양성과 육상탄소의 주요 저장원이기도 하다. TERRECO사업은 산지복잡지형의 생태계 과정에 대한 이해를 증진하고, 생태계 서비스와 관련한 생태계 기능들을 공간적으로 평가하는 데에 중점을 둔다. 특히 정교한 평가체계를 개발함으로써 산지복잡지형에서의 기후와 토지이용변화에 따른 생태계 서비스 기능의 변화를 정량화할 것이다. 이러한 구도에서 산지복잡지형의 수문학, 수자원, 생산성, 생물다양성, 토양생지화학, 미량가스방출 및 수질 등을 복합적으로 규명하고 있다. TERRECO사업은 총 34개의 세부연구과제로 구성되었으며, 한국산지복잡지형에서의 공동연구를 통해 연구기법의 개발 및 적용을 수행 중에 있다. 세부연구과제들은 산지복잡지형의 경관비균질성에 따른 (1) 물순환과 수자원, (2) 용존유기탄소(DOC), 미세입자상 유기탄소(fPOC), 질소화합물(TN)과 인 함유 물질(TP)의 수송과 수질에 영향을 미치는 탄소와 질소 저장원, (3) 환경적 관심이 높은 미량가스($CO_2$, $N_2O$, $CH_4$)의 포집과 방출, (4) 경관의 생물다양성과 생물다양성에 기인한 생태계 서비스들, 그리고 마지막으로 (5) 농업과 산림 생산성의 차이를 조사하도록 고안하였다. 따라서 TERRECO사업은 한국 산지복잡지형의 생태계 서비스를 조절하는 원리들을 규명하고, 총 34개 세부연구과제의 결과들이 생태계 서비스의 정량적 평가체계를 수립하는 데에 기여하도록 조직화함으로써 새로운 수준의 학제간 정보교환프로그램을 개발하는 데에 기여할 것으로 기대된다.