• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.317-317
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• 2011

Water dissociation on oxide surface has been researched in many fields because of its importance as fundamental phenomenas. MgO(001) is a good model system to understand heterogeneous catalysis, gas sensors, ground-water contaminants, and atmosphere chemistry. Over decades, ultrathin film of MgO on Ag(100) have attracted research activities thanks to its enhanced catalytic property. Correlation of the oxide and the metal, potential screening, charge fluctuation from interface reconstruction makes different energetics of hydroxylation of waters on film. We calculate the water-spliting energetics under the vacuum system.

• Applied Chemistry for Engineering
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• v.28 no.1
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• pp.125-131
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• 2017

We report organically functionalized Ag nanoparticles spontaneously form two-dimensional (2D) novel superstructures at the air-water interface. Analysis of the superstructures suggests that the 2D assembly of Ag nanoparticles originates from a subtle interplay between characteristic inter-particle interactions that can be readily controlled by changing the sizes of nanoparticle metal core and surfactants. Such structures have potential uses in nanostructured functional materials, catalysis, and device applications.

• Journal of Microbiology and Biotechnology
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• v.9 no.4
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• pp.381-385
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• 1999

Taq DNA polymerase from Thermus aquaticus has been shown to be very useful in a polymerase chain reaction. Taq DNA polymerase has a domain at the amino terminus (residues 1 to 290) that has 5'-3' exonuclease activity and a domain at the C-terminus that catalyzes the polymerase reaction. Taq DNA polymerase is classified into the Pol I family, which is represented by E. coli DNA polymerase I. The alignment of amino acid sequences for the 5'-3' exonuclease domains of the Pol I family DNA polymerases shows ten highly conserved carboxylic amino acids. Crystallographic studies suggested that six of the carboxylic amino acids are clustered within a 7 $\AA$ radius by chelating three metal ions in the active site. Those six carboxylic residues are mutagenized to alanines in order to better understand their function. All six carboxylic residues, Asp l8, Glu1l7, Asp1l9, Asp120, Asp142, and Aspl44, are crucial for catalysis of 5'-3' exonuclease.

• Proceedings of the Korean Biophysical Society Conference
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• 2002.06b
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• pp.18-18
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• 2002

Nitrogenase, comprised of the MoFe and Fe proteins, catalyzes the reduction of dinitrogen to ammonia at ambient temperature and pressure. The MoFe protein contains two metal centers, the P-cluster (Fe8S7-8) and the FeMo-cofactor (Fe7S9：homocitrate), the substrate binding site. Despite the availability of the crystal structure of the MoFe protein, suprisingly little is known about the molecular details of catalysis at the active site, and no small-molecule substrate or inhibitor had ever been shown to directly interact with a protein-bound cluster of the functioning enzyme, until our electron-nuclear double resonance(ENDOR) study of CO-inhibited nitrogenase.(omitted)

• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.373-376
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• 2016

Transition metal dichalcogenides (TMDs) such as $MoS_2$ is the thinnest semiconductor, exhibits promising prospects in the applications of optoelectronics, catalysis and hydrogen storage devices. Uniform and high quality $MoS_2$ is highly desirable in large area for its applications on commercial scale and fundamental research. Many experimental techniques i.e CVD have been developed to successfully synthesis $MoS_2$ on large scale, here in this work atomistic detail to understand the growth mechanism is addressed which was greatly overlooked. Here based on first principles calculation we found that polarity of seeding promter (crystal violet considerd in this work) controls the growth mechanism. It is also found that molybdenum destroys the precursor while sulfur adsorption with precursor is favorable.

• Journal of Radiopharmaceuticals and Molecular Probes
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• v.6 no.2
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• pp.131-138
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• 2020

Fluorine compounds have attracted interest of scientists for immense applications in medicinal chemistry and pharmaceuticals. Recently, photoredox catalysts, both organic-based and metal-based compounds, have been employed in organic synthetic methodology to achieve desirable products due to facile operation and mild reaction condition. Various protocols to prepare fluorination adducts in the presence of photoredox catalysts have been developed from several starting materials with formation of radical scaffolds. In this review, we describe recent advances in the fluorination using light.

• Bulletin of the Korean Chemical Society
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• v.35 no.6
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• pp.1789-1793
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• 2014

Pseudo-first-order rate constants ($k_{obsd}$) have been measured spectrophotometrically for the reactions of 5-nitro-8-quinolyl nicotinate (4) and 5-nitro-8-quinolyl isonicotinate (5) with alkali metal ethoxides (EtOM; M = K, Na and Li) in anhydrous ethanol at $25.0{\pm}0.1^{\circ}C$. The plots of $k_{obsd}$ vs. [EtOM] curve slightly upward for the reactions with EtOK and EtONa but are linear for the reactions with EtOLi and for those with EtOK in the presence of 18-crown-6-ether. Dissection of $k_{obsd}$ into $k_{EtO^-}$ and $k_{EtOM}$ (i.e., the second-order rate constants for the reactions with the dissociated $EtO^-$ and ion-paired EtOM, respectively) has revealed that the reactivity increases in the order $EtO^-{\approx}EtOLi$ < EtOK < EtONa for the reactions of 4 and EtOLi < $EtO^-$ < EtOK < EtONa for the reactions of 5. Comparison of the kinetic results for the reactions of 4 and 5 with those reported previously for the corresponding reactions of 5-nitro-8-quinolyl benzoate (2) and picolinate (3) has revealed that the esters possessing a pyridine ring (i.e., 3-5) are significantly more reactive than the benzoate ester 2 due to the presence of the electronegative N atom (e.g., 2 << 3 < 4 < 5). It has been concluded that $M^+$ ion catalyzes the reactions of 3-5 by increasing the electrophilicity of the reaction center through a five-membered cyclic transition state (TS) for the reaction of 3 and via a four-membered cyclic TS for the reactions of 4 and 5.

• Journal of the Korean Ceramic Society
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• v.53 no.2
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• pp.200-205
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• 2016

With high specific surface area and pore structural diversity, MOFs show important applications in gas storage, catalysis, sensing, separation, and biomedicine. However, the stability of the structure of MOFs has restricted their application and development. In this study, zirconium metal organic frameworks with 9,10-dicarboxylic acid anthracene as ligand, named UIO-66 ($H_2DCA$), were synthesized and their properties and structures were characterized by XRD, SEM, and $N_2$ adsorption. We focus on the stability of the structure of UIO-66 ($H_2DCA$) under different conditions (acid, alkali, and water). The structural changes or ruins of UIO-66 ($H_2DCA$) were traced by means of XRD, TG, and FT-IR under different conditions. The results show that the UIO-66 ($H_2DCA$) materials are stable at 583 K, and that this structural stability is greatly influenced by different types of acid and alkali compounds. Importantly, we found that the structures maintain their stability in environments of nitric acid, triethylamine, and boiling water.

• Journal of Electrochemical Science and Technology
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• v.11 no.4
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• pp.384-391
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• 2020

Due to its characteristics of light weight, high energy density, good safety, long service life, no memory effect, and environmental friendliness, lithium-ion batteries (LIBs) are widely used in various portable electronic products. The capacity and performance of LIBs largely depend on the performance of electrode materials. Therefore, the development of better positive and negative materials is the focus of current research. The application of metal organic framework materials (MOFs) derivatives in energy storage has attracted much attention and research. Using MOFs as precursors, porous metal oxides and porous carbon materials with controllable structure can be obtained. In this paper, rod-shaped Co-MOF-74 was grown on Ni Foam (NF) by hydrothermal method, and then Co-MOF-74/NF precursor was heat-treated to obtain rodshaped Co₃O₄/NF. Ni Foam was skeleton structured, which effectively relieved. The change of internal stress changes and destroys the structural volume of the electrode material and reduces the capacity attenuation. Co₃O₄/NF composite material has a specific discharge capacity of up to 1858 mA h/g for the first time, and a reversible capacity of up to 902.4 mA h/g at a current density of 200 mA/g, and has excellent rate and impedance performance. The synthesis strategy reported in this article opens the way to design high-performance electrodes for energy storage and electrochemical catalysis.

• Bulletin of the Korean Chemical Society
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• v.31 no.10
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• pp.2929-2933
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• 2010

Pseudo-first-order rate constants ($k_{obsd}$) have been measured for nucleophilic substitution reactions of 2-pyridyl benzoate 5 with alkali metal ethoxides (EtOM, M = Li, Na, K) in anhydrous ethanol. The plots of $k_{obsd}$ vs. $[EtOM]_o$ are curved upwardly but linear in the excess presence of 18-crown-6-ether (18C6) with significant decreased $k_{obsd}$ values in the reaction with EtOK. The $k_{obsd}$ value for the reaction of 5 with a given EtONa concentration decreases steeply upon addition of 15-crown-5-ether (15C5) to the reaction medium up to ca. [15C5]/$[EtONa]_o$ = 1, and remains nearly constant thereafter, indicating that $M^+$ ions catalyze the reaction in the absence of the complexing agents. Dissection $k_{obsd}$ into $k_{EtO^-}$- and $k_{EtOM}$, i.e., the second-order rate constants for the reaction with the dissociated $EtO^-$ and the ion-paired EtOM, respectively has revealed that ion-paired EtOM is 3.2 - 4.6 times more reactive than dissociated $EtO^-$. It has been concluded that $M^+$ ions increase the electrophilicity of the reaction center through a 6-membered cyclic transition state. This idea has been examined from the corresponding reactions of 4-pyridyl benzoate 6, which cannot form such a 6-membered cyclic transition state.