• Proceedings of the Korean Magnestics Society Conference
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• 2012.11a
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• pp.172-172
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• 2012

A Pt-skin $Pt_3Ni$(111) surface was reported to show high catalytic activity. In this study, we investigated the magnetic properties and electronic structures of the various oriented surfaces of bulk-terminated and Pt-segregated $Pt_3Ni$ by using a first-principles calculation method. The magnetic moments of Pt and Ni are appreciably enhanced at the bulk-terminated surfaces compared to the corresponding bulk values, whereas the magnetic moment of Pt on the Pt-segregated $Pt_3Ni$(111) surface is just slightly enhanced because of the reduced number of Ni neighboring atoms. Spin-decomposed density of states shows that the dz2 orbital plays a dominant role in determining the magnetic moments of Pt atoms in the different orientations. The lowering of the d-band center energy (-2.22 eV to -2.46 eV to -2.51 eV to -2.65 eV) in the sequence of bulk-terminated (100), (110), (111), and Pt-segregated (111) may explain the observed dependence of catalytic activity on surface orientation. Our d-band center calculation suggests that an observed enhanced catalytic activity of a $Pt_3Ni$(111) surface originates from the Pt-segregation.

• Journal of the korean veterinary medical association
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• v.45 no.10
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• pp.908-918
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• 2009

• Journal of the korean veterinary medical association
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• v.45 no.11
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• pp.1030-1039
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• 2009

• Bulletin of the Korean Chemical Society
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• v.8 no.6
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• pp.482-484
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• 1987

• BMB Reports
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• v.32 no.6
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• pp.599-604
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• 1999

A highly conserved amino acid, glutamic acid (Glu), present at position 152 in the catalytic domain of the human immunodeficiency virus type 1 (HIV-1) integrase (IN) protein has been known to be critical for enzymatic function since substitution of Glu 152 with other residues results in a complete loss of enzymatic activities. In order to better understand the role of Glu 152 as a conserved residue in enzymatic action, intragenic second site mutations have been introduced around residue 152 of a mutant IN (E152A), and their biochemical properties were analyzed in terms of enzymatic activities. Disintegration activities were found to be significantly restored in several second site mutant INs, while integration activities were only recovered weakly. However, endonucleolytic activities were not discovered in all the mutant INs. These findings indicate that the second site mutations can partially restore that catalytic structure of the active site disturbed by the E152A mutation and lead to the regaining of integration and disintegration activities. In addition, it is also suggested that endonucleolytic activity requires a more accurate structure of the catalytic site than that for the integration and disintegration activities.

• Journal of Microbiology and Biotechnology
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• v.12 no.1
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• pp.149-152
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• 2002

The effect of pressure on the catalytic properties of glutamate racemase from Aquifex pyrophilus, an extremophilic bacterium, was investigated. The activation volume for the overall reaction $({\Delta}V^{\neq})$ and catalysis $({{Delta}V_{cat}}^{\neq})$ was -96.97 ml/mol and 4.97 ml/mol, respectively, while the reaction volume for the substrate binding (${\Delta}V_{K_m^-1}$) was -101.94 ml/mol. The large negative ${\Delta}V^{\neq}$ for the overall reaction indicated that the pressurization of glutamate racemase resulted in enhanced catalytic efficiencies. In addition, this value was also due to the large negative ${Delta}V_{K_m^-1}$ for the substrate binding. The negative value of ${Delta}V_{K_m^-1}$ implied that the conformational changes in the enzyme molecule occurred during the substrate binding process, thereby increasing the degree of hydration. The small value of ${{Delta}V_{cat}}^{\neq}$suggested that the pressure did not affect the glutamate racemase catalysis after the substrate binding.

• Bulletin of the Korean Chemical Society
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• v.25 no.5
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• pp.657-664
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• 2004

Titanium sulfate supported on $TiO_2$was prepared by impregnation of powdered $TiO_2$with an aqueous solution of titanium sulfate followed by calcining in air at high temperature. For Ti$(SO_4)_2/TiO_2$ samples calcined at 300 $^{\circ}C$, no diffraction lines of titanium sulfate are observed at $Ti(SO_4)_2$loading up to 30 wt%, indicating good dispersion of $Ti(SO_4)_2$ on the surface of $TiO_2$. The acidity of the catalysts increased in proportion to the titanium sulfate content up to 20 wt% of $Ti(SO_4)_2$. 20 wt% $Ti(SO_4)_2/TiO_2$ calcined at 300 $^{\circ}C$ exhibited maximum catalytic activities for 2-propanol dehydration and cumene dealkylation. The catalytic activities for these reactions, were correlated with the acidity of catalysts measured by ammonia chemisorption method.

• Bulletin of the Korean Chemical Society
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• v.28 no.8
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• pp.1273-1279
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• 2007

The NiSO4 supported on Fe2O3 catalysts were prepared by the impregnation method. No diffraction line of nickel sulfate was observed up to 30 wt %, indicating good dispersion of nickel sulfate on the surface of Fe2O3. The addition of nickel sulfate to Fe2O3 shifted the phase transition of Fe2O3 (from amorphous to hematite) to higher temperatures because of the interaction between nickel sulfate and Fe2O3. 20-NiSO4/Fe2O3 containing 20 wt % of NiSO4 and calcined at 500 oC exhibited a maximum catalytic activity for ethylene dimerization. The initial product of ethylene dimerization was found to be 1-butene and the initially produced 1-butene was also isomerized to 2-butene during the reaction. The catalytic activities were correlated with the acidity of catalysts measured by the ammonia chemisorption method.

• Nuclear Engineering and Technology
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• v.6 no.2
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• pp.73-79
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• 1974

The preparation method of the mortar-plastic composites(M P C) were studied with styrene, methyl methacrylate and vinyl acetate as monomers. Radiation, thermal-catalytic and radiation-catalytic methods were used as curing methods. Almost all of the above monomers and methods were possible to use for preparing M P C Although thermal-catalytic method was excellent to get M P C in a short time, the tensile strength of the product was less than those obtained by radiation method. It was possible to prepare the M P C which included up to about 10% plastics and was strengthened about ten times on the properties of acid resistandes and tensile strength comparing with the control. The improvement of the properties is much superior to concrete-plastic composite(C P C).

• Bulletin of the Korean Chemical Society
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• v.23 no.5
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• pp.647-654
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• 2002

The synthesis and characterization of third- and fifth-generation poly(propylene imine) dendrimers terminated with imidazole moieties is reported. Functionalization was achieved using simple peptide coupling reagents. These materials were characte rized by MALDI-MS, NMR, and titration. The use of these endgroup-functionalized dendrimers as catalysts for the hydrolysis of 2,4-dinitrophenyl acetate is described. Molecular simulations provide a basis for interpreting the catalytic data.