• Bulletin of the Korean Chemical Society
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• v.17 no.12
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• pp.1104-1106
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• 1996

• Bulletin of the Korean Chemical Society
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• v.10 no.6
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• pp.619-620
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• 1989

• Journal of Soil and Groundwater Environment
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• v.10 no.4
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• pp.62-69
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• 2005

Removal of 4-chlorophenol (4CP) by natural manganese dioxide (NMD) catalyzed reaction was investigated in this study. Tests were also carried out to evaluate the effects of pH and natural organic matter (NOM) on the degradative oxidation of 4CP. Experimental results proved that NMD was effective for the removal of 4CP. Extensive kinetic analysis suggests that overall oxidation of 4CP by NMD is second-order reaction, the first-order with respect to 4CP, and the first-order with respect to NMD, respectively. Also, 4CP oxidation rates on the Mn-oxide surfaces were highly dependent upon experimental conditions such as pH, initial concentration of 4CP or NMD, and existence of humic acid. As pH increased above PZC of NMD, the reaction rate of 4CP was decreased, due to the low affinity of 4CP on NMD at high pH. At pH lower than PZC of NMD, reaction rate of 4CP was also decreased. It was considered that humic acid was involved in the oxidative coupling reaction of 4CP by NMD, resulting in the enhanced degradation rate of 4CP. This study proved that natural manganese oxide can be effectively applied for the removal of chlorophenols in aqueous phase.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2623-2626
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• 2012

A series of functionalized furans were synthesized by way of a palladium-catalyzed coupling reaction of 2,3,5-trisubstituted furans with aryl chlorides through C-H bond cleavages at C-4 position. The feature of the reaction was facilitative preparation of furan derivatives with good functional group tolerance. All reactions gave the desired products in moderate to good yields in the presences of $BuAd_2P$ and t-BuOK in DMF at $120^{\circ}C$ after 15 h.

• Journal of Microbiology and Biotechnology
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• v.23 no.10
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• pp.1395-1402
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• 2013

Reductases convert some achiral ketone compounds into chiral alcohols, which are important materials for the synthesis of chiral drugs. The Saccharomyces cerevisiae reductase YOR120W converts ethyl-4-chloro-3-oxobutanoate (ECOB) enantioselectively into (R)-ethyl-4-chloro-3-hydroxybutanoate ((R)-ECHB), an intermediate of a pharmaceutical. As YOR120W requires NADPH as a cofactor for the reduction reaction, a cofactor recycling system using Bacillus subtilis glucose dehydrogenase was employed. Using this coupling reaction system, 100 mM ECOB was converted to (R)-ECHB. A homology modeling and site-directed mutagenesis experiment were performed to determine the NADPH-binding site of YOR120W. Four residues (Q29, K264, N267, and R270) were suggested by homology and docking modeling to interact directly with 2'-phosphate of NADPH. Among them, two positively charged residues (K264 and R270) were experimentally demonstrated to be necessary for NADPH 2'-phosphate binding. A mutant enzyme (Q29E) showed an enhanced enantiomeric excess value compared with that of the wild-type enzyme.

• Macromolecular Research
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• v.13 no.6
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• pp.467-476
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• 2005

The main objective of this study was to develop and characterize pH-sensitive biodegradable polymeric materials. For pH-sensitivity, we employed three kinds of moieties: 2-amino-3-(lH-imidazol-4-yl)-propionic acid (H), N-[4-( 4,6-dimethyl-pyrimidin-2ylsulfamoyl)-phenyl]succinamic acid (SM), and 2- {3-[ 4-( 4,6-dimethyl-pyrim­idin- 2-ylsulfamoyl)-phenylcarbamoyl]-propionylamino} -3-(3 H - imidazol-4-yl)-propionic acid (SH). The pH -sensitive diblock copolymers were synthesized by ring opening polymerization and coupling reaction from poly(ethylene glycol) (MPEG), $\varepsilon$-caprolactone (CL), D,L-lactide (LA) and pH-sensitive moieties. The pH-sensitive SH molecule was synthesized in a two-step reaction. The first step involved the synthesis of SHM, a methyl ester derivative of SH, by coupling reaction of SM and L-histidine methyl ester dihydrochloride, whereas the second step involved the hydrolysis of the same. The synthesized SM, SHM and SH molecules were characterized by FTIR, $^{1}H$-NMR and $^{13}C$-NMR spectroscopy, whereas diblock copolymers and pH-sensitive diblock copolymer were characterized by $^{1}H$-NMR and GPC analysis. The critical micelle concentrations were determined at various pH conditions by fluorescence technique using pyrene as a probe. The micellization and demicellization studies of pH-sensitive diblock copolymers were also done at different pH conditions. The pH-sensitivity was further established by acid-based titration and DLS analysis.

• Macromolecular Research
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• v.13 no.4
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• pp.344-351
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• 2005

pH-sensitive block copolymers were synthesized by coupling reaction of sulfamethazine and amphiphilic diblock copolymer, and their micellization-demicellization behavior was investigated. Sulfamethazine (SM), a derivative of sulfonamide, was introduced as a pH responsive moiety while methoxy poly(ethylene glycol)poly(D,L-lactide) (MPEG-PDLLA) and methoxy poly(ethylene glycol)-poly($D,L-lactide-co-{\varepsilon}-caprolactone$) (MPEG-PCLA) were used as biodegradable amphiphilic diblock copolymers. After the sulfamethazine was carboxylated by the reaction with succinic anhydride, the diblock copolymer was conjugated with sulfamethazine by coupling reaction in the presence of DCC. The critical micelle concentration (CMC) and mean diameter of the micelles were examined at various pH conditions through fluorescence spectroscopy, dynamic light scattering and transmission electron microscopy. For MPEG-PDLLA-SM and MPEG-PCLA-SM solutions, the pH-dependent micellization-demicellization was achieved within a narrow pH band, which was not observed in the MPEG-PDLLA and MPEG-PCLA solutions. The micelle showed a spherical morphology and had a very narrow size distribution. This pH-sensitive block copolymer shows potential as a site-targeted drug carrier.

• Macromolecular Research
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• v.16 no.6
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• pp.532-538
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• 2008

Epoxy-based azopolymers were synthesized by the reaction of the diglycidyl ether of bisphenol A (DGEBA) or N,N-diglycidyl aniline (DGA) with disperse orange 3 (DO3) to give poly(DGEBA-co-DO3) or poly(DGA-co-DO3), respectively. Aniline-based azopolymers prepared from poly(DGA-co-An) precursors, synthesized by the reaction of DGA with aniline, were produced by the post-azo coupling reaction with diazonium salts containing various substituents. Holographic gratings were carried out to measure the diffractive efficiencies (DE) for the interference patterns of the $Ar^+$ laser from 50 to $300\;mW/cm^2$ intensity. The shorter repeating unit with higher chromophore density induced deeper surface relief gratings (SRG). Large surface gratings were observed for the aniline-based azopolymers with -COOH substituents, as compared with those for epoxy-based azopolymers. The aniline-based azopolymers with dimerized chromophores and various substituents were also synthesized to observe the effect of chromophore substituents and dimerization on the holography. The dimerized chromophores were more sensitively photoisomerized by the $Ar^+$ laser beam, and demonstrated a larger grating than that with one azo bond.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.21 no.1
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• pp.175-182
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• 2023

APro, a modularized process-based total system performance assessment framework, was developed at the Korea Atomic Energy Research Institute (KAERI) to simulate radionuclide transport considering coupled thermal-hydraulic-mechanical-chemical processes occurring in a geological disposal system. For reactive transport simulation considering geochemical reactions, COMSOL and PHREEQC are coupled with MATLAB in APro using an operator splitting scheme. Conventionally, coupling is performed within a MATLAB interface so that COMSOL stops the calculation to deliver the solution to PHREEQC and restarts to continue the simulation after receiving the solution from PHREEQC at every time step. This is inefficient when the solution is frequently interchanged because restarting the simulation in COMSOL requires an unnecessary setup process. To overcome this issue, a coupling scheme that calls PHREEQC inside COMSOL was developed. In this technique, PHREEQC is called through the "MATLAB function" feature, and PHREEQC results are updated using the COMSOL "Pointwise Constraint" feature. For the one-dimensional advection-reaction-dispersion problem, the proposed coupling technique was verified by comparison with the conventional coupling technique, and it improved the computation time for all test cases. Specifically, the more frequent the link between COMSOL and PHREEQC, the more pronounced was the performance improvement using the proposed technique.

• Journal of Soil and Groundwater Environment
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• v.10 no.5
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• pp.45-51
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• 2005

The sorption/desorption characteristics of phenanthrene on the natural manganese oxide (NMD) were investigated in the presence of phenolic compounds. 4-chlorophenol (4-CP) was effectively oxidized by NMD catalyzed reaction and transformed into humic-like macromolecular compound through inter-or cross-coupling reaction between byproducts. As 4-CP was degraded with time, sorbed amount of phenanthrene on NMD was significantly increased, resulting from the formation of oxidative coupling products. These results imply that NMD can be used for simultaneous treatment of phenolic contaminants and polycyclic aromatic hydrocarbons (PAHs) in soils, sediments, or water. Also, sorbed phenanthrene on NMD in the presence of 4-CP showed high degree of desorption resistance, indicating that sequestration process of phenanthrene was ongoing with time.