• Bulletin of the Korean Chemical Society
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• 제30권2호
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• pp.445-448
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• 2009

This study examined the effect of the uptake of one and two electrons on the atomic structure of three isomers of $C_{20}$ clusters, namely the ring, bowl (corannulene like), and cage (the smallest fullerene). Geometry optimizations were performed using the hybrid density functional (B3LYP) methods for neutral, singly and doubly charged $C_{20},\;{C_{20}}^-,and\;{C_{20}}^{2-}$. These results show that the symmetry of the lowest energies for ring and bowl isomers were not changed, whereas the increasing order of energy for the cage (the smallest fullerene) isomers was changed from $D_{2h}\;<\;C_{2h}\;{\leq}\;C_2\;of\;C_{20}\;through\;Ci\;<\;C_{2h}\;<\;C_2\;<\;D_{2h}\;of\;{C_{20}}^-\;to\;Ci\;<\;C_2\;<\;D_{2h}\;<\;C_{2h}\;of\;{C_{20}}^{2-}$. The reduced symmetry isomers of the cage have comparative energy and the ground state symmetry of the neutral and single and double charged $C_{20}$ decreased with increasing number of electrons taken up in the point of energetics. Interestingly, the difference in energy between the ground state and the next higher energy state of ${C_{20}}^{2-}$ was 3.5kcal/mol, which is the largest energy gap of the neutral, single anion and double anion of the cage isomers examined.

• Nuclear Engineering and Technology
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• 제34권2호
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• pp.146-153
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• 2002

To radiolabel bioactive molecules, we synthesized $^{99m}$Tc-tricarbonyl precursor, [$^{99m}$Tc(CO)$_3$($H_2O$)$_3$]$^{+}$ with a low oxidation state ( I ). The [$^{99m}$Tc(CO)$_3$($H_2O$)$_3$]$^{+}$ was prepared by low pressure carbonylation (1 atm of CO) of [$^{99m}$Tc $O_4$)]$^{[-10]}$ in the presence of NaB $H_4$ resulting in higher than 98% of labeling yield and stability up to 8 hrs. We evaluated the characteristics of $^{99m}$Tc- tricarbonyl labeled bioactive molecules by carrying out in vitro and in vitro study. Prepared [$^{99m}$Tc(CO)$_3$($H_2O$)$_3$]$^{+}$ was then reacted with some ligands of significance in modem diagnostic nuclear medicine and some amino acids. Labeling yields were checked by HPLC and found to be usually high, excluding $^{99m}$Tc-tricarbonyl-MDP, -EDTMP and -mIBG. And the biodistribution properties of $^{99m}$Tc-tricarbonyl complexes applied in rabbit showed different appearance comparing with that of the $^{99m}$Tc-labeling by conventional means. From these results, we conclude that [$^{99m}$Tc(CO)$_3$($H_2O$)$_3$]$^{+}$ is a potential precursor for development of radiopharmaceuticals, especially for labeling of biomolecules.

• 한국수소및신에너지학회논문집
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• 제19권5호
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• pp.386-393
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• 2008

The Sulfur-iodine(SI) thermochemical cycle is one of the most promising methods for massive hydrogen production. For the purpose of continuous operation of SI cycle, phase separation characteristics into two liquid phases ($H_2SO_4$-rich phase and $HI_x$-rich phase) were directly investigated via Bunsen reaction. The experiments for Bunsen reaction were carried out in the temperature range, from 298 to 333 K, and in the $I_2/H_2O$ molar ratio of $0.109{\sim}0.297$ under a continuous flow of $SO_2$ gas. As the results, solubility of $SO_2$, decreased with increasing the temperature, had considerable influence on the global composition in the Bunsen reaction system. The amounts of impurity in each phase(HI and $I_2$ in $H_2SO_4$-rich phase and $H_2SO_4$ in $HI_x$-rich phase) were decreased with increasing $H_2SO_4$ molar ratio and temperature. To control the amounts of impurity in $HI_x$-rich phase, temperature is a factor more important than $I_2/H2_O$ molar ratio. On the other hand, the affinity between $HI_x$ and $H_2O$ was increased with increasing $I_2/H2_O$molar ratio.

• BMB Reports
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• 제46권5호
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• pp.244-251
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• 2013

Lignocellulosic materials are commonly used in bio-$H_2$ production for the sustainable energy resource development as they are abundant, cheap, renewable and highly biodegradable. In the process of the bio-$H_2$ production, the pretreated lignocellulosic materials are firstly converted to monosaccharides by enzymolysis and then to $H_2$ by fermentation. Since the structures of lignocellulosic materials are rather complex, the hydrolysates vary with the used materials. Even using the same lignocellulosic materials, the hydrolysates also change with different pretreatment methods. It has been shown that the appropriate hydrolysate compositions can dramatically improve the biological activities and bio-$H_2$ production performances. Over the past decades, hydrolysis with respect to different lignocellulosic materials and pretreatments has been widely investigated. Besides, effects of the hydrolysates on the biohydrogen yields have also been examined. In this review, recent studies on hydrolysis as well as their effects on the biohydrogen production performance are summarized.

• Membrane and Water Treatment
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• 제2권4호
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• pp.239-250
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• 2011

A photovoltaic powered ultrafiltration and reverse osmosis system was tested with a number of natural groundwaters in Australia. The objective of this study was to compare system performance at six remote field locations by assessing the impact of water composition and fluctuating energy on inorganic contaminant removal using a BW30-4040 membrane. Solar irradiance directly affected pressure and flow. Groundwater characteristics (including TDS, salts, heavy metals, and pH), impacted other performance parameters such as retention, specific energy consumption and flux. During continual system operation, retention of ions such as $Ca^{2+}$ and $Mg^{2+}$ was high (> 95%) with each groundwater which can be attributed to steric exclusion. The retention of smaller ions such as $NO_3{^-}$ was affected by weather conditions and groundwater composition, as convection/diffusion dominate retention. When solar irradiance was insufficient or fluctuations too great for system operation, performance deteriorated and retention dropped significantly (< 30% at Ti Tree). Groundwater pH affected flux and retention of smaller ions ($NO_3{^-}$ and $F^-$) because charge repulsion increases with pH. The results highlight variations in system performance (ion retention, flux, specific energy consumption) with real solar irradiance, groundwater composition, and pH conditions.

• 한국에너지공학회:학술대회논문집
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• 한국에너지공학회 2010년도 춘계학술 발표회
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• pp.189-189
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• 2010

• 태양에너지
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• 제5권2호
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• pp.46-53
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• 1985

Hydrogenated amorphous silicon solar cells which are fabricated by photo-chemical vapor deposition (photo-CVD) system has been investigated. In the photo-CVD system which consists of three separate reaction chambers, low-pressure mercury lamp has been used as a light source. The main reactant ($Si_2H_6/He$) gases which are premixed with a small amount of mercury vapor in a mercury-vaporizer kept at $50^{\circ}C$ have been used. Using $C_2H_2$ and $SiH_2(CH_3)_2$ as the carbon source, p-type wide band gap a-SiC:H films have been obtained. The result has been found that the undoped layers of the pin/substrate solar cells are influenced by the residual impurities, such as phosphorus and boron during the deposition process. By minimizing the effect of the impurities in the i-layer and optimizing conditions at the p-layer and p/i interface, the energy conversion efficiency of 9.61 % under AM-1 ($100mW/Cm^2$) has been achieved for pin/substrate solar cells illuminated through their p-layers, using the three separate reaction chamber apparatus. It is expected that a-SiC:H solar cells with the energy conversion efficiency over 10% have been fabricated by Photo-CVD method.

• 한국수소및신에너지학회논문집
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• 제27권4호
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• pp.412-420
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• 2016

Effect of $H_2S$ on reactivity of oxygen carrier was measured and discussed using fluidized bed reactor and SDN70 oxygen carrier. We could get 100% of fuel conversion and $CO_2$ selectivity even though $H_2S$ containing simulated syngas was used as fuel for reduction. Absorbed sulfur was released during oxidation and $N_2$ purge step after oxidation as $SO_2$ form. We could get 100% of fuel conversion and $CO_2$ selectivity during cyclic reduction-oxidation tests up to 10th cycle. However, only 6~7% of sulfur can be removed during oxidation and $N_2$ purge step and 93~94% of sulfur was accumulated in the oxygen carrier. Therefore we could conclude that total removal of sulfur was not possible. $SO_2$ emission during oxidation decreased as the number of cycle increased. Therefore we could expect that the reactivity of oxygen carrier will be decreased with time.

• 대한화학회지
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• 제54권6호
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• pp.671-679
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• 2010

벤젠이온-물 복합체[$C_6H_6^+-(H_2O)_n$(n=1-5)]의 여러 가능한 구조를 예측하고 다양한 양자역학적 이론 수준(ab initio, DFT 등)에서 분자구조를 최적화 하였으며, 조화 진동주파수를 계산하여 IR 스펙트럼을 예측하였다. $C_6H_6^+-(H_2O)$에 대하여 보다 정확한 결합에너지를 구하기 위하여 MP2 수준에서 분자구조를 최적화하여 결합에너지 계산을 하여 B3LYP 계산 결과와 비교하였으며, 영점 진동에너지(zero-point vibrational energy)를 보정하여 실험값과 비교하였다. $C_6H_6^+-(H_2O)$에 대한 결합에너지는 MP2/aug-cc-pVTZ 이론수준에서 8.6 kcal/mol로 계산되어 최근의 실험결과($8.5{\pm}1$ kcal/mol)와 매우 잘 일치하는 것으로 나타났다.

• 치위생과학회지
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• 제15권4호
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• pp.419-423
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• 2015

시판 중인 에너지음료의 법랑질 부식능을 알아보기 위하여 판매량이 높은 3종의 에너지음료와 대조군으로 생수를 선정하였다. 각 음료의 pH와 적정산도를 측정하고, 우치시편을 제작하여 음료에 각각 1, 3, 5, 10, 15, 30분을 침지한 후 나타나는 양상을 표면미세경도계를 이용하여 측정한 결과, 다음과 같은 결론을 얻었다. 대조군을 제외한 모든 음료에 구연산이 첨가되어 있었다. 에너지음료의 평균 pH는 $3.01{\pm}0.44$로 번인텐스에서 $2.51{\pm}0.01$로 가장 낮았다. 적정 산도의 평균은 pH 5.5에서 2.98 ml로 번인텐스에서 3.59 ml로 가장 높았다. 모든 에너지음료가 침지시간이 증가함에 따라 표면경도가 감소하였으며 음료 30분 처리 후 표면 경도값은 레드불에서 $119.72{\pm}15.16$ VHN으로 가장 낮은 경도값을 보였고, 핫식스 $208.75{\pm}10.99$, 번인텐스 $210.47{\pm}8.01$ 순이었다. 실험에 사용된 모든 에너지음료는 치아 법랑질에 부식을 유발하였으며, 음료처리 전과 후에 레드불이 가장 낮은 법랑질 표면 경도 값을 보여 실험에 사용한 에너지 음료 중 가장 많은 법랑질 부식을 유발하였다. 이로써 구연산을 함유하고, pH가 낮은 에너지 음료의 섭취는 치아표면경도를 감소시켜 부식을 유발하는 것으로 생각된다.