• Bulletin of the Korean Chemical Society
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• v.29 no.4
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• pp.817-821
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• 2008

We have investigated the influence of the crystal structure on the chemical bonding nature and photocatalytic activity of cubic and hexagonal perovskite A[$Cr_{1/2}Ta_{1/2}$]O3 (A = Sr, Ba) compounds. According to neutron diffraction and field emission-scanning electron microscopy, the crystal structure and particle size of these compounds are strongly dependent on the nature of A-site cations. Also, it was found that the face-shared octahedra in the hexagonal phase are exclusively occupied by chromium ions, suggesting the presence of metallic (Cr-Cr) bonds. X-ray absorption and diffuse UV-vis spectroscopic analyses clearly demonstrated that, in comparison with cubic Sr[$Cr_{1/2}Ta_{1/2}$]$O_3$ phase, hexagonal Ba[$Cr_{1/2}Ta_{1/2}$]$O_3$ phase shows a decrease of Cr oxidation state as well as remarkable changes in interband Cr d-d transitions, which can be interpreted as a result of metallic (Cr-Cr) interactions. According to the test of photocatalytic activity, the present semiconducting materials have a distinct activity against the photodegradation of 4-chlorophenol. Also the Srbased compound was found to show a higher photocatalytic activity than the Ba-based one, which is attributable to its smaller particle size and its stronger absorption in visible light region.

• Bulletin of the Korean Chemical Society
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• v.29 no.9
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• pp.1717-1722
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• 2008

The 70 kDa heat-shock protein (Hsp70) involved in various cellular functions, such as protein folding, translocation and degradation, regulates apoptosis in cancer cells. Recently, it has been reported that the green tea flavonoid (−)-epigallocatechin 3-gallate (EGCG) induces apoptosis in numerous cancer cell lines and could inhibit the anti-apoptotic effect of human Hsp70 ATPase domain (hATPase). In the present study, docking model between EGCG and hATPase was determined using automated docking study. Epi-gallo moiety in EGCG participated in hydrogen bonds with side chain of K71 and T204, and has metal chelating interaction with hATPase. Hydroxyl group of catechin moiety also participated in metal chelating hydrogen bond. Gallate moiety had two hydrogen bondings with side chains of E268 and K271, and hydrophobic interaction with Y15. Based on this docking model, we determined two pharmacophore maps consisted of six or seven features, including three or four hydrogen bonding acceptors, two hydrogen bonding donors, and one lipophilic. We searched a flavonoid database including 23 naturally occurring flavonoids and 10 polyphenolic flavonoids with two maps, and myricetin and GC were hit by map I. Three hydroxyl groups of B-ring in myricetin and gallo moiety of GC formed important hydrogen bonds with hATPase. 7-OH of A-ring in myricetin and OH group of catechin moiety in GC are hydrogen bond donors similar to gallate moiety in EGCG. From these results, it can be proposed that myricetin and GC can be potent inhibitors of hATPase. This study will be helpful to understand the mechanism of inhibition of hATPase by EGCG and give insights to develop potent inhibitors of hATPase.

• Proceedings of the Korean Vacuum Society Conference
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• 2015.08a
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• pp.209.2-209.2
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• 2015

Two dimensional layered materials, such as transition metal dichalcogenides (TMDs) family have been attracted significant attention due to novel physical and chemical properties. Among them, molybdenum disulfide ($MoS_2$) has novel physical phenomena such as absence of dangling bonds, lack of inversion symmetry, valley degrees of freedom. Previous studies have shown that the interface of metal/$MoS_2$ contacts significantly affects device performance due to presence of a scalable Schottky barrier height at their interface, resulting voltage drops and restricting carrier injection. In this study, we report a new device structure by using few-layer graphene as the bottom interconnections, in order to offer Schottky barrier free contact to bi-layer $MoS_2$. The fabrication of process start with mechanically exfoliates bulk graphite that served as the source/drain electrodes. The semiconducting $MoS_2$ flake was deposited onto a $SiO_2$ (280 nm-thick)/Si substrate in which graphene electrodes were pre-deposited. To evaluate the barrier height of contact, we employed thermionic-emission theory to describe our experimental findings. We demonstrate that, the Schottky barrier height dramatically decreases from 300 to 0 meV as function of gate voltages, and further becomes negative values. Our findings suggested that, few-layer graphene could be able to realize ohmic contact and to provide new opportunities in ohmic formations.

• Bulletin of the Korean Chemical Society
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• v.32 no.9
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• pp.3255-3260
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• 2011

Two novel binuclear metal-organic coordination complexes $[Cd_2(L)_2(bpy)_2(H_2O)_2]{\cdot}6H_2O$ (1), $[Cd_2(L)_2(phen)_2-(H_2O)_2]{\cdot}2H_2O$ (2) (where L = 2-methylquinoline-3,4-dicarboxylate dianion, bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline) have been synthesized under hydrothermal conditions and characterized by single crystal Xray diffraction, spectral method (IR), elemental analysis and thermal gravimetric analysis (TGA). Both 1 and 2 consist of two Cd(II) atoms bridged by two monoatomic bridging carboxylate groups from two L ligands, and the second carboxylate group of each L is monodentately coordinated to Cd(II), creating a sevenmembered chelating ring. The coordination at each metal nucleus is completed by a water molecule and a chelating bidentate molecule. The 3D structures of the complexes are stabilized by ${\pi}-{\pi}$ stacking interactions and hydrogen-bonds.

• Journal of Environmental Science International
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• v.5 no.5
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• pp.579-583
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• 1996

This study is involved to develop new catalysts to decompose plastics, detergents and surfactants containing synthetic peptide bonds. As the first year research, the catalytic-hydrolysis of amide bond in copper complex was accomplished. The hydrolysis reaction in aqueous solution was monitored by UV/VIS spectroscopy. As the pH of the solution Is increased and the temperature is raised, the reaction rate increases. The reaction rate is observed as the first order kinetic behavior for the copper complex. The metal catalyzed hydrolysis mechanism is proposed cia metal-hydroxide in the pH region of 5.5 to 6.3. The results of characterization of the catalytic reaction mechanism can be applied to develop new catalysts for peptide bond degradation in further research.

• Journal of Technologic Dentistry
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• v.26 no.1
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• pp.35-40
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• 2004

In order to understand alloying effects on the corrosion resistance of Ti-(10$\sim$20)%Zr-(2$\sim$8%)Nb-0.2%Pd alloys, Polarization curves were measured at 5%HCI solution. The results were interpreted in terms of two parameters obtained by the molecular orbital calculation ; one is the bond order($B_{\circ}$) and the other is the metal d-orbital level($M_{d}$). $B_{\circ}$ is a measure of the strength of covalent bonds between titanium and alloying elements. $M_{d}$ is correlative with the electronegativity of elements. It was found that increasing of Zr and Nb with higher $B_{\circ}$ values showed a lower critical anodic current density in the polarization curve and hence higher corrosion resistance. On the other hand, increasing of Zr and Nb with higher $M_{d}$ values showed a higher corrosion resistance.

• Journal of the Korean Society for Heat Treatment
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• v.6 no.1
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• pp.9-16
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• 1993

To investigate the properties of diffusion bonding of 7050 Al alloy, the diffusion bonding joints have been produced in self-made diffusion bonding hot-press which admits a defined application of the bonding pressure during the heating phase and also rapid cooling after the bonding process with various bonding condition. The strength of the bond increases with increasing the bonding time and temperature. Shear test at toom temperature showed that high strength up to 70% that of parent metal (320 MPa), 220 MPa for the specimen bonded 14 hr at $560^{\circ}C$, with 3 MPa. In this case, however, there is large deformation more than 20% reduction in thickness. The results were correlated with joint characteristics found by optical microstructure and by fractography by SEM. When the strengths of the bonds are more than 50% that of parent metal, a great deal of dimples stretched along the direction of shear stress are observed over the fractured surface of the bond. On the microstructure of the bond line, initial mophology of the bond line disapeared for the grain boundary migration with increasing the bonding time.

• Bulletin of the Korean Chemical Society
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• v.35 no.1
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• pp.182-188
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• 2014

Three new transition metal complexes based on Ozagrel $[Cu(Ozagrel)]_n$ (1), $[Zn(Ozagrel)(Cl)]_n$ (2), ${[Mn_2-(Ozagrel)(1,4-ndc)_2]{\cdot}(H_2O)}_n$ (3), (Ozagrel = 3-(4-((1H-imidazol-1-yl)methyl)phenyl)acrylic acid; 1,4-ndc = 1,4-Naphthalenedicarboxylic acid) have been hydrothermally synthesized and characterized by elemental analyse, IR, TG, PXRD, electrochemical analysis and single crystal X-ray diffraction. X-ray structure analysis reveals that 1 and 3 are 3D coordination polymers, while complex 2 is a two-dimensional network polymer, the 2D layers are further packed into 3D supramolecular architectures that are connected through hydrogen bonds. The electrochemistry of 1-3 was studied by cyclic voltammetry in methanol and water using a glassy carbon working electrode. Also, thermal decomposition process and powder X-ray diffraction of complexes were investigated.

• Journal of the Korean Vacuum Society
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• v.6 no.S1
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• pp.122-126
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• 1997

the Cu/polyimide system is known to be the best candidate for a multilevel interconnection system due to the low resistance of Cu and to the low dielectric constant of polyimide respectively. Ion beam mixing of Cu(40nm)/polyimide was carried out at room temperature with 80 keV Ar+ and N2+ form $1.5\times$1015 to 15$\times$1015 ions/cm2. The quantitative adhesion strength was measured by a standard scratch test. X-ray photoelectron spectroscopy and x-ray emission spectrocopy are employed to investigate the chemical bonds and the interlayer compound formation of the films Cu/Al/polyimide showed more adhesion strength than Cu/polyimide after ion beam mixing and N2+ ions are more effective in the adhesion enhancement than Ar+ with the same sample geometry. The XES results shows the formation of interlayer compound of CuAl2O4 which can reflect more adhesive Cu/Al/polyimide which has not been reported previously. The latter results is understood by the fact that N2+ ions produce more pyridinelike moiety, amide group and tertiary amine moiety whcih are known as adhesion promotors.

• Current Optics and Photonics
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• v.8 no.1
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• pp.86-96
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• 2024

This research investigation employs a terahertz (THz) time-domain spectroscopy system to study the terahertz spectral characteristics of five different citrates in both solution and solid state. The citrates under examination are lithium citrate, monosodium citrate, disodium citrate, trisodium citrate, and potassium citrate. The results show that the THz absorption coefficients of the first four citrate solutions exhibit a decreasing trend with increasing concentration. However, the potassium citrate solution shows an opposite phenomenon. At the same time, the absorption coefficients of lithium citrate, trisodium citrate, and potassium citrate solutions are compared at the same concentration. The results indicate that the absorption coefficient of citrate solution increases in proportion to the increase of metal cation radius, which is explained from the perspective of the influence of metal cations on hydrogen bonds. In addition, we also study the absorption peaks of solid citrates, and characterize the formation mechanism of the absorption peaks by molecular dynamics simulations. This methodology can be further extended to the study of multitudinous salts, presenting theoretical foundations for the detection in food and medicine industries.