• Journal of Soil and Groundwater Environment
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• v.13 no.5
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• pp.74-80
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• 2008

Heavy metals, Cd and Pb, in soil were extracted by using anionic surfactants such as AOS (alpha olefin sulfonate), SDS (sodium dodecyl sulfate), and LAS (linear alkyl benzene sulfonic acid). Metal extractability from soil was affected by the carbon number and solution pH of surfactants. LAS showed higher metal extractability due to the acidic solution condition. Although SDS has a fewer carbon number than AOS, it would produce smaller micelles and resulted in more efficient extraction of metals by increased soil contact. Cd extractability of surfactant was twice enhanced by adding NaI as a ligand. However, Pb extractability of surfactant was sometimes reduced by adding NaI. Those ligand effects were dependent on solubility of metal-ligand. The column experiment also showed that SDS having smaller micelles resulted in higher metal extractability than AOS.

• Journal of the Korean Chemical Society
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• v.28 no.1
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• pp.3-13
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• 1984

The trans effect of ligands on the calculated dipole moments has been investigated, choosing trans square planar $[Pt(II)Cl(PEt_3)_2X]$ type complexes. The calculated dipole moments decrease in the order H > Me > Ph > Cl which is the same as the order of decreasing the experimental dipole moments. This order is in agreement with the order of decreasing the trans effect as determined by rate of reaction. The calculated dipole moments for cis complexes are markedly higher than those for trans complexes. This is also in agreement with experimental fact. The calculated dipole moments for some of cis complexes are, however, lower than the observed values, which is different from trans complexes.

• Journal of the Korean Chemical Society
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• v.37 no.4
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• pp.442-447
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• 1993

The thermodynamic parameters (${\Delta}$G, ${\Delta}$H and ${\Delta}$S) of lanthanides(III)-benzoylformate complexes in aqueous solution have been determined in the ionic medium of 0.1M $NaClO_4$ at 25$^{\circ}C$, using pH and enthalpy titration method. The stability constants of the lanthanide(III)-benzoylformate complexes (1 : 1) agree well with the general relationships for the bidentate ligands (e.g., log${\beta}_1$ vs. p$K_a$). Thermodynamic evidences show that the oxygen atom in ketone group is coordinated along with the carboxylate group. It is ascribed to the increasing charge density on the oxygen atom in ketone group due to the conjugation effect in the benzoylformate ligand. Thermodynamic results also indicate that the complexes are stabilized by the enthalpy effect caused by the ionic interaction of metal-oxygen bond as well as the entropy effect.

• Korean Journal of Environmental Agriculture
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• v.12 no.2
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• pp.162-168
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• 1993

This research was conducted to assess the influence of humic or fulvic acid on Bentazone phytotoxicity using a bioassay with hydroponically grown cabbage (Brassica campestris subsp. napus var. pekinensis Makino). Concentrations of Bentazone in the water culture media were ranged from 0 to 32 ${\mu}M $ and those of the organic ligands were 1.0mM as a soluble carbon. Media were prepared in a complete factorial combination with pHs of 4.5, 6.5 and 8.5. The phytotoxicity indices on growth rate and dry weight decrement were employed to evaluate the effects of organic ligands on the Bentazone phytotoxicity. Humic or fulvic acid without Bentazone treatment enhanced the growth of cabbage and this effect was evident at low pH of 4.5. Bentazone led to chlorosis and necrosis on cabbage leaves resulting in the decreases of dry and fresh weights and growth rate. This phytotoxic effect was increased with Bentazone concentration and evident at low pH. At pH 4.5, dry weight was decreased about 63% with 8${\mu}$M of Bentazone treatment. Effective concentration of Bentazone causing 50% decreases in fresh weight as compared to the control was estimated to be 21${\mu}$M. Presence of organic ligand reduced the phytotoxicity of Bentazone to cabbage significantly by increasing yields and growth rates as compared to the treatment of Bentazone alone. At pH 4.5, fulvic acid reduced phytotoxicity of Bentazone upto 46%, and this efficiency of fulvic acid was better than that of humic acid under the same condition.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.37-43
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• 1990

An effect of the spin-orbit coupling interaction of ligand orbitals and the intermixing │3d 〉and│4p > transition metal atomic orbitals on the ground state for a 3$d^9$ system in a strong crystal field of tetragonally distorted tetrahedral symmetry that belongs to the $D_{2d}$ point group has been investigated in this work, applying the degenerate perturbation theory. An LCAO-MO analysis in terms of the known energies of the d-d transitions for the tetragonally distorted $CuCl_4^{2-}$ ion in a single crystal of$Cs_2CuCl_4$shows that the covalent mixing of Cu 3d and ligand Cl 3p orbitals decreases dramatically with increasing Cu 4p contribution. The extent of effect on the energy level splitting for the ground state by the spin-orbit coupling interaction of ligand orbitals decreases significantly in orderTEX>$\Gamma_7(E)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_7(E)$.

• Journal of Life Science
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• v.20 no.7
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• pp.969-976
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• 2010

In vivo studies of KR-31125 (2-butyl-5-dimethoxymethyl-6-phenyl-7-methyl-3-[[2'-(1H-tetrazol-5-yl) biphenyl-4-yl]methyl]-3H-imidazo[4,5-b]pyridine) were performed in pithed rats, conscious angiotensin II (AII) challenged normotensive rats, renal hypertensive rats (RHRs) and furosemide-treated beagle dogs. KR-31125 induced a non-parallel right shift in the dose-pressor response curve to AII ($ID_{50}$: 0.095 mg/kg) with a dose-dependent reduction in the maximum responses in pithed rats. Compared to losartan, this antagonistic effect was about 18 times more potent, presenting competitive antagonism. Other agonists such as norepinephrine and vasopressin did not alter the responses induced by KR-31125. Orally administered KR-31125 had no agonistic effect and dose-dependently inhibited the pressor response to AII with a slightly weaker potency ($ID_{50}$: 0.25 and 0.47 mg/kg, respectively) in the AII-challenged normotensive rat model, but with a more rapid onset of action than losartan (time to $E_{max}$: 30 min for KR-31125 and 6 hr for losartan). KR-31125 produced a dose-dependent antihypertensive effect with a higher potency than losartan in RHRs, and these effects were confirmed in furosemide-treated dogs where they presented a dose-dependent and long-lasting (>8 hr) antihypertensive effect with a rapid onset of action (time to $E_{max}$: 2-4 hr), as well as a 20-fold greater potency than losartan. These results suggest that KR-31125 is a potent, orally active $AT_1$ receptor antagonist that can be applied to the development of new diagnostic and research tools as an added exploratory potential of $AT_1$ receptor antagonist.

• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.124-131
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• 2015

단백질의 구조를 예측하기 위해서 구조가 알려져 있는 단백질 중 진화적으로 유사한 단백질의 구조 정보를 이용하는 Template Based Modeling (TBM) 방법이 현재까지 가장 효과적으로 많이 사용되고 있다. 단백질의 삼차 구조를 이루는 단위 중에서도 고리 부분은 효소 활성 부위 또는 리간드 결합 부위 등으로 작용하여 단백질의 생물학적 기능에 연관되어 있다. 하지만 진화적으로 가까운 단백질이어도 고리 부분은 서열이 잘 보존되지 않아 충분한 구조 정보를 주지 못하고 TBM 방법으로 고리 구조까지 정확히 예측을 할 수 없다. 따라서 TBM 방법으로 예측한 구조의 고리 부분을 주형 정보에 의존하지 않고 다시 예측하여 전체 구조를 정밀화하는 과정이 중요하다. 이번 연구에서는 이를 위해 자유 에너지를 고려한 고리 구조 예측 방법을 적용하여 그 효과를 검증해보았다.

• Journal of Life Science
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• v.28 no.2
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• pp.195-200
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• 2018

Beta-asarone is the well-known active ingredient of Rhizoma acori graminei. In this study, we investigated and compared the binding affinity of mosquito oviposition pheromone (MOP; (5R,6S)-6-acetoxy-5-hexadecanolide) and beta-asarone on the A domain of the mosquito odorant binding protein 1 (CquiOBP1) by in silico computational docking studies. The three-dimensional crystallographic structure of CquiOBP1 was obtained from the PDB database (PDB ID: 3OGN). In silico computational auto-docking analysis was performed using PyRx, Autodock Vina, Discovery Studio Version 4.5, and the NX-QuickPharm option based on scoring functions. The beta-asarone showed optimum binding affinity (docking energy) with CquiOBP1 as -6.40 kcal/mol as compared to the MOP (-6.00 kcal/mol). Among the interacting amino acids (LEU76, LEU80, ALA88, MET89, HIS111, TRP114, and TYR122), tryptophan 114 in the CquiOBP1 active site significantly interacted with both MOP and beta-asarone. Amino acids substitution (mutation) from non-polar groups to the polar (or charged) groups of the CquiOBP1 dramatically changed the X, Y, Z grid position and binding affinity of both ligands. These results significantly indicated that beta-asarone could be a more potent ligand to the CquiOBP1 than MOP. Therefore, the extract of Rhizoma acori graminei or beta-asarone can be applied to the fields of insecticidal and repellant biomaterial development.

• Korean Journal of Microbiology
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• v.47 no.1
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• pp.14-21
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• 2011

Riboflavin synthase catalyzes the formation of one molecule of each riboflavin and 5-amino-6-ribitylamino-2,4-pyrimidinedione by the transfer of a 4-carbon moiety between two molecules of the substrates, 6,7-dimetyl-8-ribityllumazine. The most remarkable feature is the sequence similarity between the N-terminal half (1-97) and the C-terminal half domain (99-213). To investigate the structure and fluorescent characteristics of the N-terminal half of riboflavin synthase (N-RS) in Escherichia coli, more than 10 mutant genes coding for the mutated N-terminal domain of riboflavin synthase were generated by polymerase chain reaction. The genes coding for the proteins were inserted into pQE vector designed for easy purification of protein by 6X-His tagging system, expressed, and the proteins were purified. Almost all mutated N-terminal domain of riboflavin synthases bind to 6,7-dimethyl-8-ribityllumazine and riboflavin as fluorescent ligands. However, N-RS C47D and N-RS ET66,67DQ mutant proteins show colorless, indicating that fluorescent ligands were dissociated during purification. In addition, most mutated proteins show low fluorescent intensity comparing to N-RS wild type, whereas N-RS C48S posses stronger fluorescent intensity than that of wild type protein. Based on this result, N-RS C48S can be used as the tool for high throughput screening system for searching for the compound with inhibitory effect for the riboflavin synthase.

• Journal of the Korean Chemical Society
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• v.41 no.7
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• pp.337-342
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• 1997

Acryloylmethylbenzo-15-crown-5 was prepared from the reaction of 4'-hydroxymethylbenzo-15-crown-5 with acryloyl chloride. And, poly(acryloylmethylbenzo-15-crown-5) [poly(AMB15C5)] was synthesized by radical polymerization using AIBN as initiator in benzene. Coated wire lead(II) ion-selective electrodes ($Pb^{2+}$-CWISEs) using either poly(AMB15C5) or B15C5 as neutral carrier were prepared, respectively. $Pb^{2+}$-CWISEs gave linear responses with slopes of 28$\pm$ 1mV per decade within the concentration range of $10^{-5} M{\sim}10^{-1}$ M, respectively. Also, the detection limits were $10^{-6}$ M and response times were either 3 or 5 min. for B15C5 and poly(AMB15C5), respectively. $Pb^{2+}$-CWISE base on B15C5 was rather unstable than poly(AMB15C5)'s due to solubility of the B15C5 in water. The selectivity coefficients of a variety of interfering ions such as $Mg^{2+},\; Ca^{2+},\; Co^{2+},\; Ni^{2+},\; Cu^{2+},\; Zn^{2+}$ and $Cd^{2+}$ were small ($10^{-4}{\sim}10^{-5}$), while those of $Na^+$ and $K^+$ were large (0.1∼0.01). In addition, the electrode responses depended upon the pH of test solution and the composition of the membrane. In the range pH 3∼6 of test solution, potentials of Pb2+-CWISEs were hardly changed. The optimal contents of B15C5 and poly(AMB15C5) were 7.7 wt% and 13.1 wt%, respectively.