• Analytical Science and Technology
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• v.7 no.2
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• pp.225-232
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• 1994

The podands I-VII, acyclic polyethers, expected high extractability for $Ag^+$ against $Pb^{2+}$ were designed and synthesized with high yields. Using podands I-VII as extractants, the %extraction(%Ex) of $Ag^+$ and $Pb^{2+}$ as picrates were determined in water/chloroform systems. The stability constants(log K) for the complexation of $Ag^+$ with podands I-VII were also determined by potentiometry. %Ex($Ag^+$) were proportional to the numbers of substituted sulfur donor atoms. Podand VI(log K : 7.65) having 3 substituted sulfur and podand VII(log K : 9.15) having 4 substituted sulfur, however, exhibited almost 100% of extractability, respectively. In %Ex($Ag^+/Pb^{2+}$, oxygen-sulfur mixed donor podands(IV-VII) showed the higher values. Otherwise, the values of log K and %Ex($Ag^+$) largely depended on the variation of donor-site of sulfur. From the results of NMR experiments, it seems that it is due to the ${\pi}-{\pi}$ stacking interaction between the aromatic end-groups.

• Journal of the Korean Chemical Society
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• v.35 no.6
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• pp.645-652
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• 1991

The stability constants$(K_f)$ of the complexes of some transition and post-transition metal ions (Co(Ⅱ), Ni(Ⅱ), Cu(Ⅱ), Zn(Ⅱ), Cd(Ⅱ), Pb(Ⅱ), Hg(Ⅱ)) with $N_2O_3$-donor macrocyclic ligand, 1,15-diaza-3,4 : 12,13-dibenzo-5,8,11-trioxacyclooctadecane ($NtnOdienH_4$), have been determined by potentiometry in aqueous solution at $25^{\circ}C$. Log $K_f$ values of the complexes were : Co(Ⅱ): 3.83, Ni(Ⅱ) : 4.56, Cu(Ⅱ) : 7.74, Zn(Ⅱ) : 4.98, Cd(Ⅱ) : 3.91, Pb(Ⅱ) : 6.65, and Hg(Ⅱ) : 14.87. The order of stabilities of transition metal complexes was the same as the natural order of stability proposed by Williams-Irving. In post-transition metal complexes, the order of stabilities was Cd(Ⅱ) < Pb(Ⅱ) < Hg(Ⅱ), and the covalent character in metal ion-donor atoms bonds appeared a dominant factor in the stability. In methanol solution, each metal ion forms 1 : 1 complex, while Ni(Ⅱ) ion forms both 1 : 1 and 1 : 2 complexes. It was confirmed by $^1H-$ and $^{13}C-$NMR spectral study that the nitrogen atoms in the ligand were major contributors for the complexation of post-transition metal ions with the ligand. It was shown, by elementry analysis, electrical conductivity and magnetic susceptibility measurements, and spectral analysis, that solid Cu(Ⅱ)-and Zn(Ⅱ)-complexes have a distorted octahedral and a tetrahedral structure, respectively.

• Journal of Integrative Natural Science
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• v.10 no.2
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• pp.85-94
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• 2017

Fibroblast growth factor receptor (FGFR) belongs to the family of receptor tyrosine kinase. They play important roles in cell proliferation, differentiation, development, migration, survival, wound healing, haematopoiesis and tumorigenesis. FGFRs are reported to cause several types of cancers in humans which make it an important drug target. In the current study, HQSAR analysis was performed on a series of recently reported 1H-Pyrazolo [3,4-b]pyridine derivatives as FGFR antagonists. The model was developed with Atom (A) and bond (B) connection (C), chirality (Ch), hydrogen (H) and donor/acceptor (DA) parameters and with different set of atom counts to improve the model. A reasonable HQSAR model ($q^2=0.701$, SDEP=0.654, NOC=5, $r^2=0.926$, SEE=0.325, BHL=71) was generated which showed good predictive ability. The contribution map depicted the atom contribution in inhibitory effect. A contribution map for the most active compound (compound 24) indicated that hydrogen and nitrogen atoms in the side chains of ring B as well as hydrogen atoms in the side chain of ring C and the nitrogen atom in the ring D contributed positively to the activity in inhibitory effect whereas, the lowest active compound (compound 04) showed negative contribution to inhibitory effect. Thus results of our study can provide insights in the designing potent and selective FGFR kinase inhibitors.

• The Korean Journal of Pesticide Science
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• v.9 no.3
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• pp.191-198
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• 2005

Hippuryl-L-histidyl-L-leucine (Hip-L-His-L-Leu, HHL) is the known substrate of ACE, which used often in inhibition kinetic study to design new inhibitor. Here we use HHL molecule as a template to predict pharmacophore which can interact with residues in active site of AnCE, new potential insecticide target protein. To explain physicochemical properties related to molecular geometry and conformational change in reaction field as well as electron density of atoms associated to pharmacophores, geometry optimization, NMR chemical shifts and natural population analysis were performed by ab initio and DFT method. Calculated NMR chemical shifts showed good agreement with the experimental ones and obtained electron densities were used for analyzing pharmacophores of corresponding atoms. Finally, we could extract aye pharmacophores related to hydrophobic aliphatic and aromatic site, hydrogen bonding donor and acceptor site and Zn binding site from the HHL molecule.

• Proceedings of the Korean Society of Dyers and Finishers Conference
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• 2005.05a
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• pp.213-215
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• 2005

The metal complexes can be influenced not only by the central metal atoms and the substituent groups, but also by the native of the chelating atoms. For example, near-infrared absorbing chromophores were synthesized by the reaction of phenylenediamine derivatives with a solution of pottassium hydroxide followed by the addition of nickel(II) chloride. These dyes provide absorbing infrared light over 780-840 nm with an extinction coefficient of $2.5-6.0{\times}10^4$. By introduction of alkyl, alkoxyl, cyano, and other functional group into the parent dye, these dyes greatly improved the solubility in organic solvent. New near-infrared absorbing donor-acceptor chromophores have been investigated by varying the electron donating and accepting strength of the two halves of the molecule. The cyanine chromophores permit the simplest way of obtaining systems that absorb well into the near-infrared region of the spectrum. Cyanine dyes possess high extinction coefficients that initially increase with Increasing chain length. These chromophores could be useful in near-infrared optical materials.

• Polymer(Korea)
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• v.39 no.2
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• pp.240-246
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• 2015

Formation of a strong 3-dimensional interfacial network structure via chemical reaction between hydroxyl group on silica surface and NR chain by the addition of bis(triethoxysilylpropyl)tetrasulfide (TESPT) into silica-filled NR compound was observed by using Py-GC/MS and SEM. Addition of TESPT into silica-filled NR compound decreased scorch time ($t_{10}$) due to increased sulfur content, and reduced cure rate index (CRI) via continuous reaction between sulfur atoms in TESPT, which acted as a sulfur donor, and activators and/or accelerators. Addition of TESPT in the compound improved processability and mechanical properties of the compound. Overall, we observed that the addition of TESPT into the silica-filled NR compound formed a silica-TESPT-NR network, and thus the degree of crosslinking was increased resulting in improved mechanical properties.

• Journal of the Korean Chemical Society
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• v.20 no.5
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• pp.380-390
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• 1976

The trends of forming a charge transfer complex have been studied for electron donors such as anisole, 4-chloroanisole, 2,4-dichloroanisole, 2-fluoro-4-chloroanisole, 2-bromo-4-chloroanisole, 2-iodo-4-chloroanisole, 2-fluoro-4,6-dichloroanisole, 2,4,6-trichloroanisole, 2-bromo-4,6-dichloroanisole, 2-iodo-4,6-dichloroanisole, and 2-iodo-4,5,6-trichloroanisole, and electron acceptors such as iodine and iodine monochloride in the carbon tetrachloride or the hexane solvent system. It was found that the formation of a charge transfer complex was influenced by the Van der Waals Radii of the 2-halogen atoms on the benzene ring and further the overall steric moiety of the molecule of the electron donor. These trends were also experienced in a system of chloroform and one of the prementioned electron donor by means of a nuclear magnetic resonance spectrometry. The spectrophotometrical data on the formation of the charge transfer complex were presented and the results were discussed with views of the steric structure of the 2-halogen atom on the benzene ring.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.76.2-76.2
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• 2013

Advanced electronic application areas have strongly required new materials due to the continuous shrinking dimensions of their devices. Specially, the development and use of metal precursors for atomic layer deposition has been extensively focused on application to electronic devices. Thus the systematic design and synthesis of metal compounds with relevant chemical and physical properties, such as stability, volatility, and resistance to air and moisture are very important in the vacuum deposition fields. In many case, organic ligands for metal precursors are especially focused in the related research areas because the large scale synthesis of the metal complexes with excellent properties exclusively depends on the potential usefulness of the ligands. It is recommended for metal complexes to be in monomeric forms because mononuclear complexes generally show high vapor pressures comparing with their oligomeric structure such as dimer and trimer. Simple metal alkoxides complexes are involatile except several examples such as Ti(OiPr)4, Si(OEt)4, and Hf(OtBu)4. Thus the coordinated atom of alkoxide ligands should be crowded in its own environment with some substituents by prohibiting the coordinated atoms from bonding to another metal through oxygen-bridging configuration. Alkoxide ligands containing donor-functionalized group such as amino and alkoxy which can induce the increasing of the coordinative saturation of the metal complexes and the decreasing of the intermolecular interaction between or among the metal compounds. In this presentation, we will discuss the development of metal compounds which adopted donor-functionalized alkoxide ligands derived from their alcohols for electronic application. Some recent results on ALD using metal precursors such as tin, nickel, ruthenium, and tungsten developed in our group will be disclosed.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.145-145
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• 2010

In this paper, we report that the effects of hydrogen doping on the electrical and optical properties of typical transparent conducting oxide films such as ZnO and $SnO_2$ prepared by magnetron sputtering. Recently, density functional theory (DFT) calculations have shown strong evidence that hydrogen acts as a source of n-type conductivity in ZnO. In this work, the beneficial effect of hydrogen incorporation on Ga-doped ZnO thin films was demonstrated. It was found that hydrogen doping results a noticeable improvement of the conductivity mainly due to the increases in carrier concentration. Extent of the improvement was found to be quite dependent on the deposition temperature. A low resistivity of $4.0{\times}10^{-4}\;{\Omega}{\cdot}cm$ was obtained for the film grown at $160^{\circ}C$ with $H_2$ 10% in sputtering gas. However, the beneficial effect of hydrogen doping was not observed for the films deposited at $270^{\circ}C$. Variations of the electrical transport properties upon vacuum annealing showed that the difference is attributed to the thermal stability of interstitial hydrogen atoms in the films. Theoretical calculations also suggested that hydrogen forms a shallow-donor state in $SnO_2$, even though no experimental determination has yet been performed. We prepared undoped $SnO_2$ thin films by RF magnetron sputtering under various hydrogen contents in sputtering ambient and then exposed them to H-plasma. Our results clearly showed that the hydrogen incorporation in $SnO_2$ leads to the increase in carrier concentration. Our experimental observation supports the fact that hydrogen acting as a shallow donor seems to be a general feature of the TCOs.

• Journal of the Korean Chemical Society
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• v.30 no.5
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• pp.475-482
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• 1986

Rates and equilibriurn of complex formation between $Ni^{2+}$ and D-penicillamine have been investigated in aqueous solutions. Kinetic study on the complex formation were performed in the pH range of 8∼9 by the use of pressure-jump technique. D-Penicillamine coordinates to the nickel(II) ion utilizing sulfur and nitrogen as donor atoms in the high pH condition (pH 9.2). However, in the pH range of 8.25∼9.07, the stepwise stability constant becomes drastically reduced and the undissociated mercapto group does not participate in bonding. The rate-determining step of the complexation reaction is found to be the release of a water molecule from the inner-coordination sphere of $Ni^{2+}$ ion.