• Journal of the Korean Chemical Society
• /
• v.38 no.8
• /
• pp.547-551
• /
• 1994

A series of samples in the $Nd_{1-x}Ba_xFeO_{3-y}$ system has been prepared by heating the reactants to$1200^{\circ}C$ under an ambient atmosphere, and the solid solutions were identified by X-ray power diffraction analysis. The crystal systems of samples with x = 0.00 and 0.25 were found to be orthorhombic whose local symmetry is similiar to the distorted octahedral with orthoferrite type one, whereas those with x = 0.50 and 0.75 to be the cubic system. Since Fe ions in the solid solutions are a mixed valence state between $Fe^{3+}\;and\;Fe^{4+}$ ions, the nonstoichiometric chemical formulas could be determined from the mole ratio of $Fe^{4+}$ ion and oxygen vacacies. According to the Mossbauer spectroscopic analysis, the presence of 5-coordinated $FeO_5$ was evidenced only in the barium compounds along with $FeO_6,\;and\;FeO_4$, but not in the strontium and calcium compounds. The samples with x = 0.25 and 0.50 show a spectrum of superparamagnetism, which might be due to the formation of a domain of the ferromagnetic interaction between the $Fe^{3+}\;and\;Fe^{4+}$ ions. The electrical conductivities of all samples are within semiconducting range. Since the $Fe^{4+}$ ion acts as an electron acceptor level during the electron transfer between the Fe through intermediate $O^{2-}$ ions, the activation energy of the compounds decreases with the increment of $Fe^{4+}$ content.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.1
• /
• pp.52-58
• /
• 2010

Human histamine H1 receptor (HHR1) is a G protein-coupled receptor and a primary target for antiallergic therapy. Here, the ligand-based three-dimensional pharmacophore models were built from a set of known HHR1 inverse agonists using HypoGen module of CATALYST software. All ten generated pharmacophore models consist of five essential features: hydrogen bond acceptor, ring aromatic, positive ionizable and two hydrophobic functions. Best model had a correlation coefficient of 0.854 for training set compounds and it was validated with an external test set with a high correlation value of 0.925. Using this model Maybridge database containing 60,000 compounds was screened for potential leads. A rigorous screening for drug-like compounds unveiled RH01692 and SPB00834, two novel molecules for HHR1 with good CATALYST fit and estimated activity values. The new lead molecules were docked into the active site of constructed HHR1 homology model based on recently crystallized squid rhodopsin as template. Both the hit compounds were found to have critical interactions with Glu177, Phe432 and other important amino acids. The interpretations of this study may effectively be deployed in designing of novel HHR1 inverse agonists.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.2
• /
• pp.505-512
• /
• 2014

A new donor-accepter-donor-accepter-donor (D-A-D-A-D) type 2,1,3-benzothiadiazole-thiophene-based acceptor unit 2,5-di(4-(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl)thiophene ($DTBTTBr_2$) was synthesized. Copolymerized with fluorene and indeno[1,2-b]fluorene electron-rich moieties, two alternating narrow band gap (NBG) copolymers PF-DTBTT and PIF-DTBTT were prepared. And two copolymers exhibit broad and strong absorption in the range of 300-700 nm with optical band gap of about 1.75 eV. The highest occupied molecular orbital (HOMO) energy levels vary between -5.43 and -5.52 eV and the lowest unoccupied molecular orbital (LUMO) energy levels range from -3.64 to -3.77 eV. Potential applications of the copolymers as electron donor material and $PC_{71}BM$ ([6,6]-phenyl-$C_{71}$ butyric acid methyl ester) as electron acceptors were investigated for photovoltaic solar cells (PSCs). Photovoltaic performances based on the blend of PF-DTBTT/$PC_{71}BM$ (w:w; 1:2) and PIF-DTBTT/$PC_{71}BM$ (w:w; 1:2) with devices configuration as ITO/PEDOT: PSS/blend/Ca/Al, show an incident photon-to-current conversion efficiency (IPCE) of 2.34% and 2.56% with the open circuit voltage ($V_{oc}$) of 0.87 V and 0.90 V, short circuit current density ($J_{sc}$) of $6.02mA/cm^2$ and $6.12mA/cm^2$ under an AM1.5 simulator ($100mA/cm^2$). The photocurrent responses exhibit the onset wavelength extending up to 720 nm. These results indicate that the resulted narrow band gap copolymers are viable electron donor materials for polymer solar cells.

• Applied Biological Chemistry
• /
• v.29 no.3
• /
• pp.279-287
• /
• 1986

The changes in peroxidase activity and its isozyme pattern in the different parts of mung bean sprout were investigated; The enzyme activity in cotyledon and root showed a tendency to increase at an early stage and then decreased gradually as germination continued. However, the crude homogenate of epicotyl and hypocotyl showed a continuous decline in the enzyme activity. In particular, the enzyme activity of the root was $1.5{\sim}3.5$ times higher than that of other parts. Gel electrophoresis of the crude homogenate revealed that the number of isozyme in every part of the mung bean sprout increase during germination up to 6th days. Two isozymes from root were partially purified by ammonium sulfate fractionation, gel filtration by Sephadex G-75 and DEAE cellulose column chromatography. One of the isozymes (A) was purified 16-fold by the present procedure, but the purity of the other isosyme (B) was not increased , significantly. Isozyme A was the most active at $65^{\circ}C$ and isozyme B at $70^{\circ}C$, while both isozyme (A, B) have a optimal pH of 5.6. The Km values of isozyme A and B for 0-dianisidine as a hydrogen donor determined to be 0.071 mM and 0.052mM, respectively, and those for isozyme A and B using $H_2O_2$ as a hydrogen acceptor were 0.28mM and 0.23mM, respectively.

• Journal of Korean Society of Environmental Engineers
• /
• v.28 no.7
• /
• pp.757-763
• /
• 2006

In our previous studies, we have isolated bacteria from BTEX-contaminated sediment, which utilized BTEX as a sole carbon source and $NO_3$-N as an electron acceptor. For the possibility of field application, we have applied co-culture of those isolates in the BTEX-contaminated soil and evaluated their biodegradation efficiencies. To investigate the relationship between the isolates and indigenous microorganism in soil, changes of microbial community structure in soil samples with respect to time were monitored. To examine this, soil samples were artificially contaminated with benzene, toluene, ethylbenzene and o-xylene. BTEX-degrading bacteria such as Pseudomonas stutzeri strain 15(DQ 202712), Klebsiells sp. strain 20(DQ 202715) and Citrobacter sp. strain A(DQ 202713) were injected into the soil samples in the ratio of 2:1:1. Our results showed that the highest BTEX biodegradation efficiency was achieved when both BTEX and $NO_3-N$ existed simultaneously. The change in soil microbial community structure was characterized by PCR-DGGE analysis comparing the relative DGGE band intensities. The band intensities of indigenous microorganisms in the soil were reduced by injecting co-culture of the three isolates. On the contrary, the relative band intensities of the isolates were increased. Among the three isolates, Pseudomonas stutzeri strain 15 rendered the highest band intensity. This indicates that the Pseudomonas stutzeri was the dominant microbial species found in the soil samples.

• Journal of Korean Society of Environmental Engineers
• /
• v.27 no.2
• /
• pp.123-129
• /
• 2005

In situ permeable reactive barrier (PRB) technologies have been proposed to reductively remove organic contaminants from the subsurface environment. The major reactive material, zero valent iron ($Fe^0$), is oxidized to ferrous iron or ferric iron in the barriers, resulting in the decreased reactivity. Iron-reducing bacteria can reduce ferric iron to ferrous iron and iron reduced by these bacteria can be applied to dechlorinate chlorinated organic contaminants. Iron reduction by iron reducing bacteria, Shewanella algae BrY, was observed both in aqueous and solid phase and the enhancement of TCE removal by reduced iron was examined in this study. S. algae BrY preferentially reduced Fe(III) in ferric citrate medium and secondly used Fe(III) on the surface of iron oxides as an electron acceptor. Reduced iron formed reactive materials such as green rust ferrihydrite, and biochemical precipitation. These reactive materials formed by the bacteria can enhance TCE removal rate and removal capacity of the reactive barrier in the field.

• Journal of Korean Society of Environmental Engineers
• /
• v.27 no.2
• /
• pp.151-157
• /
• 2005

A one-dimensional numerical model was developed to simulate vertical profiles of electron acceptors and their reduced species in benthic sediments. The model accounted for microbial degradation of organic matter and subsequent chemical reactions of interest using stoichiometric relationships. Depending on the dominant electron acceptors utilized by microorganisms, the benthic sediments were assumed to be vertically subdivided into six zones: (1) aerobic respiration, (2) denitrification, (3) manganese reduction, (4) iron reduction, (5) sulfate reduction, and (6) methanogenesis. The utilizations of electron acceptors in the biologically mediated oxidation of organic matter were represented by Monod-type expression. The mass balance equations formulated for the reactive transport of organic matter, electron acceptors, and their corresponding reduced species in the sediments were solved utilizing an iterative multistep numerical method. The ability of model to simulate a freshwater sediments system was tested by comparing simulation results against published data obtained from lake sediments. The simulation results reasonably agreed with field measurements for most species, except for ammonia. This result showed that the C/N ratio (106/16) in the sediments is lower than what the Redfield formula prescribes. Since accurate estimates of vertical profiles of electron acceptors and their reduced species are important to determine the mobility and bioavailability of trace metals in the sediments, the model has potential application to assess the stability of selected trace metals in the sediments.

• Journal of Korean Society of Environmental Engineers
• /
• v.32 no.9
• /
• pp.851-856
• /
• 2010

A sulfur utilizing nitrite denitrification process could be placed after the shortcut biological nitrogen removal (SBNR) process. In this study, removal of nitrite using sulfur oxidizing denitrifier was characterized in batch tests with granular elemental sulfur as an electron donor and nitrite as an electro acceptor. At sufficient alkalinity, initial nitrite nitrogen concentration of 100 mg/L was almost completely reduced in the batch reactor within a incubation time of 22 h. Sulfate production with nitrite was 4.8 g ${SO_4}^{2-}/g$ ${NO_2}^-$-N, while with nitrate 13.5 g ${SO_4}^{2-}/g$ ${NO_3}^-$-N. Under the conditions of low alkalinity, nitrite removal was over 95% but 15 h of a lag phase was shown. For nitrate with low alkalinity, no denitrification occurred. Sulfate production was 2.6 g ${SO_4}^{2-}/g$ ${NO_2}^-$-N and alkalinity consumption was 1.2 g $CaCO_3/g$ ${NO_2}^-$. The concentration range of organics used in this experiment did not inhibit autotrophic denitrification at both low and high alkalinity. This kind of method may solve the problems of autotrophic nitrate denitrification, i.e. high sulfate production and alkalinity deficiency, to some extent.

• Journal of Korean Society of Environmental Engineers
• /
• v.37 no.1
• /
• pp.34-44
• /
• 2015

This study was initiated to remove free cyanide from wastewater using the process of photocatalytic oxidation. UV lamp has been extensively used as a light source in conventional photocatalytic oxidation, but numerous drawbacks of UV lamp have been raised so far. Thus, this study focused on evaluating the applicability of UV LED as an alternative light source to overcome the drawbacks of UV lamp. Furthermore, the effects of diverse operational parameters on the performance of process were investigated. The results demonstrated the applicability of UV LED as a substitute of UV lamp. Also, the results show that the performance of process was improved by the increase in the number of UV LEDs used. To acquire economic feasibility as well as high efficacy, however, it is required to determine the optimum number of UV LED prior to practical implementation of the process. Among the three types of photocatalysts (anatase, rutile, and Degussa P25) tested, the Degussa P25 showed the greatest performance, and it was proven that the process was not improved as much as the Degussa P25 through simple mixing of anatase and rutile without any pretreatment. In addition, the removal efficiency of free cyanide appeared to be increased with the decrease in the particle size of $TiO_2$ photocatalyst. Besides, the process was enhanced with injection of oxygen which is considered as a major electron acceptor in the photocatalytic oxidation.

• Journal of the Korean GEO-environmental Society
• /
• v.15 no.5
• /
• pp.39-46
• /
• 2014

The objectives of this study were to determine biodegradation and characteristics of BTEX and MTBE under aerovic-anaerobic conditions and evaluate the potential of natural attenuation method in denitrifying condition.. In the single-substrate experiments, all of the BTEX compounds were degraded under all the conditions. but, lower degradation of benzene and p-xylene were observed under aerobic condition due to the lack of oxygen initially supplied. In the mixed-substrate experiments, BTEX degradation was delayed compared to that in the single-substrate experiments due to a competition of the substrates. Biodegradation of MTBE was observed only under denitrifying conditions and we expected that MTBE mineralized to $CO_2$ without the accumulation of TBA. We also conducted to determine the effect of initial nitrate concentration on BTEX and MTBE degradation. At low nitrate concentration (<50 mg/L), BTEX degradations were limited by the lack of electron acceptor and BTEX degradation was inhibited at high nitrate concentration (>200 mg/L). The results in this study indicated that biotransformation could be applied to the gasoline-contaminated region under aerovic-anaerobic.