• Journal of Microbiology and Biotechnology
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• v.25 no.1
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• pp.127-136
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• 2015

Cupredoxin-like proteins are mainly copper-binding proteins that conserve a typical rigid Greek-key arrangement consisting of an eight-stranded β-sandwich, even though they share as little as 10-15% sequence similarity. The electron transport function of the Cupredoxins is critical for respiration and photosynthesis, and the proteins have therapeutic potential. Despite their crucial biological functions, the identification of the distant Cupredoxin homologs has been a difficult task due to their low sequence identity. In this study, the overlapped conserved residue (OCR) fingerprint for the Cupredoxin superfamily, which consists of conserved residues in three aspects (i.e., the sequence, structure, and intramolecular interaction), was used to detect the novel Cupredoxin homologs in the NCBI non-redundant protein sequence database. The OCR fingerprint could identify 54 potential Cupredoxin sequences, which were validated by scanning them against the conserved Cupredoxin motif near the Cu-binding site. This study also attempted to model the 3D structures and to predict the functions of the identified potential Cupredoxins. This study suggests that the OCR-based approach can be used efficiently to detect novel homologous proteins with low sequence identity, such as Cupredoxins.

• Journal of Korean Society of Water and Wastewater
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• v.33 no.6
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• pp.447-456
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• 2019

This study focused on natural organic matter and trihalomethane removal by ozonation with various ferrous concentration in surface water. Ozonation is more affected by injection concentration than reaction time. dissolved organic carbon removal rates in ozonation increased with the increase in ferrous concentration. The highest removal was obtained at 6 mg/L of ferrous concentration. When 1 mg/L of ferrous was added with 2 mg/L of ozone concentration, it was found to be a rapid decrease in specific ultraviolet absorbance at the beginning of the reaction because ferrous acts as a catalyst for producing hydroxyl radical in ozonation. As ozone concentration increased, trihalomethane formation potential decreased. When 2 mg/L of ozone was injected, trihalomethane formation potential was shown to decrease and then increase again with the increase in ferrous concentration.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3760-3764
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• 2010

We screened 10,000 heterocyclic small molecules and identified a novel hit core skeleton of 3-(8-chloro-6-(trifluoromethyl) imidazo[1,2-a]pyridine-2-yl)phenyl acetate derivatives. It has been selected as a potential glucagon-like peptide 1 receptor (GLP-1R) activator and demonstrated its effects in increasing GLP-1 secretion, and thereby increasing the glucose responsiveness in both in vitro and pharmacology analyses. Further studies are currently underway to optimize the potency and selectivity of 3-(8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-yl)phenyl acetate derivatives (hit compounds 2 and 8), and address their in vivo efficacy and therapeutic potential. These molecules may serve as useful evidence showing that compounds with a 3-(8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-yl)phenyl acetate moiety are selective GLP-1R agonists, and have potential as anti-diabetic treatment agents.

• Journal of the Korean Ceramic Society
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• v.49 no.1
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• pp.29-36
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• 2012

In many applications of functional oxides originally homogeneous materials are exposed to gradients in the chemical potential of oxygen. Prominent examples are solid oxide fuel cells (SOFCs) or oxygen permeation membranes (OPMs). Other thermodynamic potential gradients are gradients of electrical potential, temperature or uni-axial pressure. The applied gradients act as generalized thermodynamic forces and induce directed fluxes of the mobile components. These fluxes may lead to three basic degradation phenomena of the materials, which are kinetic demixing, kinetic decomposition, and morphological instabilities.

• Bulletin of the Korean Chemical Society
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• v.31 no.2
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• pp.365-371
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• 2010

The multiconfiguration molecular mechanics (MCMM) algorithm was used to generate potential and vibrationally adiabatic energy surfaces for excited-state tautomerization in the 1:1 7-azaindole:$H_2O$ complex. Electronic structures and energies for reactant, product, transition state were computed at the CIS/6-31G(d,p) level of theory. The potential and vibrationally adiabatic energies along the reaction coordinate were generated step by step by using 16 high-level Shepard points, which were computed at the CIS/6-31G(d,p) level. This study shows that the MCMM method was applied successfully to make quite reasonable potential and adiabatic energy curves for the excited-state double proton transfer reaction. No stable intermediates are present in the potential energy curve along the reaction coordinate of the excited-state double proton transfer in the 1:1 7-azaindole:$H_2O$ complex, indicating that these two protons are transferred concertedly. The change in the bond distances along the reaction coordinate shows that two protons move very asynchronously to make an $H_3O^+$-like moiety at the transition state.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2343-2353
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• 2007

We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.

• Journal of Electrochemical Science and Technology
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• v.8 no.4
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• pp.314-322
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• 2017

The electrolyte plays one of the most significant roles in the performance of electrochemical supercapacitors. Most liquid organic electrolytes used commercially have temperature and potential range constraints, which limit the possible energy and power output of the supercapacitor. The effect of elevated temperature on a lithium bis(oxalate)borate(LiBOB) salt-based electrolyte was evaluated in a symmetric supercapacitor assembled with activated carbon electrodes and different electrolyte blends of acetonitrile(ACN) and propylene carbonate(PC). The electrochemical properties were investigated using linear sweep voltammetry, cyclic voltammetry, galvanostatic charge-discharge cycles, and electrochemical impedance spectroscopy. In particular, it was shown that LiBOB is stable at an operational temperature of $80^{\circ}C$, and that, blending the solvents helps to improve the overall performance of the supercapacitor. The cells retained about 81% of the initial specific capacitance after 1000 galvanic cycles in the potential range of 0-2.5 V. Thus, LiBOB/ACN:PC electrolytes exhibit a promising role in supercapacitor applications under elevated temperature conditions.

• The Korean Journal of Physiology and Pharmacology
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• v.2 no.1
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• pp.21-30
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• 1998

The effects of GABA and glutamate on the horizontal cells were explored by an intracellular recording method to discern the mechanisms of receptive field formation by chemical coupling in the catfish outer retina. The results suggest that the horizontal cells of the catfish retina might use GABA as their transmitters and that the GABAergic system contributes to the formation of receptive fields of the horizontal cells. GABAC receptors may be involved in a chemical coupling between horizontal cells and concerned with the depolarizing actions by GABA on horizontal cells in the catfish retina. Since the chloride equilibrium potential is more positive than the dark membrane potential in horizontal cells, GABA released from a horizontal cell may depolarize the neighboring horizontal cells. Thus a chemical coupling between horizontal cells may be formed. $GABA_A$ receptors also may be involved in the negative feedback mechanism between photoreceptor and horizontal cell. And glutamate may be involved in connecting positive and negative feedback systems since it potentiated the GABA's actions. Therefore, it is presumed that large receptive fields in the catfish retina are formed not only by electrical coupling but also by chemical coupling between horizontal cells. And information travels laterally by pathways involving both electrical coupling composed of gap junctions and chemical coupling in the retinal network.

• Journal of Korean Society of societal Security
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• v.1 no.1
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• pp.53-62
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• 2008

Recently, the potential risks of tank lorry transportation from the petrochemical plant have been increasing, so the research was performed to build up the evaluation criterion of the transportation safety, as well as aggressive risk+assessment of a variety of chemical materials. This research was applied to the Maximum Credible Accident Analysis technique and modeled on the risk management of chemical transportation using the following four steps for risk evaluation, firstly the comparison of representative fype and standard of hand ling chemical materials transported by tank vehicles secondly, specific classification of potential hazards thirdly, grasp and recognition of virtual accident scenario at last, the risk evaluation of virtual accident scenario(qualitative/quantitative - chemical release modeling).

• Bulletin of the Korean Chemical Society
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• v.34 no.1
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• pp.154-158
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• 2013

Development of dual functional liposome has been studied for cancer theragnostics. Therefore, we focused on ultrasound-sensitive liposomes with doxorubicin (DOX) and gadolinium (Gd) as a theragnostic carrier having a potential for cancer therapy and diagnosis. In this study, Gd(III)-DOTA-modified sonosensitive liposomes (GL) was developed using chemically synthesized Gd(III)-DOTA-DPPE lipid. Sonosensitivity of GL to 1 MHz ultrasound induced 25% of DOX release. The relaxivities ($r_1$) of GL were $7.33-10.34\;mM^{-1}s^{-1}$, which was higher than that of MR-bester$^{(R)}$. Intracellular delivery of DOX from GL by ultrasound irradiation was evaluated according to ultrasound intensity, resulting in increase of uptake of DOX released from ultrasound-triggered GLs compared to GL3 or Doxil$^{(R)}$ without ultrasound. Taken together, this study shows that the paramagnetic and sonosensitive liposomes, GL, is a novel and highly effective delivery system for drug with the potential for broad applications in human disease.