• Molecules and Cells
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• v.25 no.3
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• pp.352-357
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• 2008

Osteoprotegerin (OPG) is a soluble decoy receptor that inhibits osteoclastogenesis and is closely associated with bone resorption processes. We have designed and determined the solution structures of potent OPG analogue peptides, derived from sequences of the cysteine-rich domain of OPG. The inhibitory effects of the peptides on osteoclastogenesis are dose-dependent ($10^{-6}M-10^{-4}M$), and the activity of the linear peptide at $10^{-4}M$ is ten-fold higher than that of the cyclic OPG peptide. Both linear and cyclic peptides have a ${\beta}$-turn-like conformation and the cyclic peptide has a rigid conformation, suggesting that structural flexibility is an important factor for receptor binding. Based on structural and biochemical information about RANKL and the OPG peptides, we suggest that complex formation between the peptide and RANKL is mediated by both hydrophobic and hydrogen bonding interactions. These results provide structural insights that should aid in the design of peptidyl-mimetic inhibitors for treating metabolic bone diseases caused by abnormal osteoclast recruitment.

• Journal of the Korean Chemical Society
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• v.16 no.6
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• pp.361-368
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• 1972

The organic solvent mixture of 5 % trioctylamine and 5 % n-octyl alcohol in n-hexane could be loaded with tungsten to 62 g $WO_3$/1 whereas the amine alone could be loaded only to 37 g $WO_3$/1. Molecular interaction between amine and tungstate ion during the solvent extraction process and the synergistic effect of alcohol in enhancing the solubility of the amine-tungstate complex have been studied by NMR spectroscopy. Tungsten has been shown to be extracted as a polymeric tungstate ion into the organic phase to form a trioctyl ammonium polytungstate salt, which was more stabilized in the hydrocarbon medium by interacting with alcohol via hydrogen bonding between the tungstate ion and alcohol.

• Journal of the Korean Chemical Society
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• v.21 no.6
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• pp.434-439
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• 1977

The electronic structures of 4-pyridone and lutidone are studied by the SCF MO-CI PPP method and by the configuration analysis method. The spectral data are consistent with the values calculated by the method. The polarization of $S_1({\pi},{\pi}^*)$ state is along the long molecular axis in both compounds. The lowest $({\pi},{\pi}^*)$1 state shows significant charge transfer (16∼18%) from ${\pi}$ bonding orbital of C=O moiety to ${\pi}^*$ antibonding orbital of divinyl amine moiety. The lowest triplet state shows much larger charge transfer (24∼29 %) but in opposite direction compared to that of $S_1({\pi},{\pi}^*)$ state.

• Bulletin of the Korean Chemical Society
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• v.27 no.12
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• pp.2040-2044
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• 2006

Dielectric studies of methyl acrylate with 1-propanol, 1-butanol, 1-heptanol and 1-octanol binary mixtures have been carried out over the frequency range from 10 MHz to 10 GHz at temperatures of 283, 293, 303 and 313 K using Time Domain Reflectometry (TDR) for various concentrations. The Kirkwood correlation factor and excess inverse relaxation time were determined and discussed to yield information on the molecular structure and dynamics of the mixture. The values of the static dielectric constant, relaxation time and the Kirkwood correlation factor decrease with increased concentration of methyl acrylate in alcohol. The Bruggman plot shows a non-linearity of the curves for all the systems studied indicates the heterointeraction which may be due to hydrogen bonding of the OH group of alcohol with C=O of the methyl acrylate. The excess inverse relaxation time values are negative for all the systems at all the temperatures indicates that the solute-solvent interaction hinders the rotation of the dipoles of the system.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.768-778
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• 2011

Calixpyrroles and related macrocycles are non-planer synthetic anion receptors that have attracted considerable attentions in recent years. Although the synthesis of calix[4]pyrrole (known as meso-octamethylporphyrinogen) was reported more than 100 years ago, the anion binding properties were first discovered in 1996. The simple calix[4]pyrroles can be synthesized in single step in high yield by condensation of pyrrole with acetone. The compounds showed preferential binding for halide anions including fluoride, phosphate, carboxylate, and chloride in organic media. Efforts to improve the anion affinity of calix[4]pyrrole and to enhance its selectivity have led to the synthesis of a variety of new calixpyrrole derivatives. Among the various modifications, introduction of straps on one side of the calix[4]pyrroles are the most effective. Incorporation of aromatic rings other than pyrroles also exhibited interesting binding behaviour. Introduction of signalling units as part of the strapping element enable to detect the anions on chromogenic or fluorogenic fashion. Finding of the anion transport properties across the membrane and cytotoxic effects of the calix[4]pyrroles open new window for calixpyrrole-related research. The polymer-incorporated systems have also been employed as anion complexants in solvent-solvent extraction. These old, yet easy-to-make macrocycles have well advanced more recently with the discovery of the ion-pair complexation properties. In this review, the synthetic developments and anion binding properties of calixpyrroles for the last decades will be discussed and will cover the advances in calixpyrrole chemistry.

• Journal of the Korean Ceramic Society
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• v.54 no.5
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• pp.406-412
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• 2017

$70V_2O_5-10Fe_2O_3-13P_2O_5-7B_2O_3$ glasses were prepared to study the electrical conductivity and catalytic properties of the structural change with crystallization. The structural changes were analyzed by determining the molecular volume from the sample density; using X-Ray Diffraction (XRD) analysis, which indicated that $V_2O_5$, $VO_2$ and $B_2O_3$ crystals in heat-treated more than 1h samples. Especially a new crystalline phase of non-stoichiometric $Fe_{0.12}V_2O_5$ was formed after 6 h heat treatment. The V-O bonding change after crystallization was analyzed by Fourier Transform Infrared Spectroscopy (FTIR); V ion change from $V^{5+}$ to $V^{4+}$ was shown by XPS. Conductivity and catalytic properties were examined based on the polaronic hopping of V and Fe ions, which exhibited different valence states with crystallization.

• Bulletin of the Korean Chemical Society
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• v.24 no.7
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• pp.961-966
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• 2003

A quantum-chemical study of conformations and electronic structures of polyheterocyclic derivatives with vinylenediheteroatom substituents at the 3- and 4-positions was performed to search for novel blue-lightemitting conjugated polymers. Conformational potential energy curves of the polymers were constructed as a function of the helical angle (a) through semiempirical Hartree-Fock band calculations at the Austin model 1 level. It is found that poly(3,4-vinylenedioxythiophene) possesses a quite flat curve in the range of α = 51.4°- 120°. Replacing S atoms for O atoms greatly increases repulsion between the neighboring units, and thereby the units become perpendicular to one another. Because of the hydrogen bonding between O and NH, poly(3,4- vinylenedioxypyrrole) is predicted to be anti-coplanar and poly(3,4-vinylenediaminofuran) to be nearly anticoplanar. According to the modified extended Huckel band calculations, the HOMO-LUMO gaps (HLGs) of the polymers, unless the polymer chains are twisted, are close to or slightly smaller than those of their respective mother polymers. Among the polymers, poly(3,4-vinylenedioxythiophene) is presumed to be the most probable candidate for a blue-light emitter because its HLG is within the range of the electronic requirement for blue-light emitters.

• Bulletin of the Korean Chemical Society
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• v.28 no.2
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• pp.193-199
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• 2007

Raman and fluorescence spectroscopies were employed to study the coil effects on the intermolecular structure of a rod-coil liquid crystalline (LC) oligomer, the esterification products of ethyl 4-[4'-oxy-4-biphenylcarbonyloxy]- 4'-biphenylcarboxylate with poly(propylene)oxides (PPO) (DP=12) and poly(ethylene oxide)s (PEO) (DP=12). Three different vibrational modes (carbonyl, aromatic C-H, and aromatic C=C) obtained from the Raman experiment at variable temperature indicate that PPO and PEO coils induce the hydrogen bonding in a different manner. Further information about the micro-environment around the mesogenic unit obtained by fluorescence excitation spectra of P12-4 (LC with PPO coil) and 12-4 (LC with PEO coil) suggests that the mesogenic unit of P12-4 is quite different from that of 12-4 in intermolecular structure. This study supports the results obtained only from Raman spectroscopy, providing more accurate information about the intermolecular structural changes of liquid crystalline polymers at a molecular level during the phase transitions.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2381-2386
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• 2013

A new series of Mn(II) and Mo(VI) complexes containing the Schiff bases hydrazinecarbothioamide and hydrazinecarboxamide of 5,6-dimethyl-1H-indol-2,3-dione have been synthesized. The nature of bonding and the stereochemistry of the complexes have been deduced from elemental analyses, molecular weight determinations and spectral studies viz. electronic IR, ESR, $^1H$ NMR and $^{13}C$ NMR and X-ray diffraction spectral studies. The magnetic moment values of the manganese(II) complexes are in the range of 5.80-6.15 B.M. suggesting a high spin state of manganese in these complexes. The spectral data are consistent with a tetrahedral geometry around Mn(II) and an octahedral geometry for Mo(VI), in which the ligands act as bidentate chelating agents, coordinated through the nitrogen and sulfur/oxygen atoms. The ligands and their metal complexes have been tested against a number of pathogenic fungi and bacteria at different concentrations and were found to possess sufficient fungicidal and bactericidal properties. Further, the complexes were also tested for their antifertility activity in male albino rats and the results were indeed positive.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.11 no.7
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• pp.2565-2569
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• 2010

It was researched the correlation between the Solar cell and the effect of texturing. The samples were textured by using the IPA mixed solution with $HNO_3$, KOH and NaOH. The samples were analyzed by the X-ray Diffraction pattern and Fourier Transform Infrared spectroscopy. The FTIR spectra in the range of 950~1350 $cm^{-1}$ was related to the peak's formation as the bonding structure. The split of peaks means that the inter reaction between the molecular did not activate and then increased the efficiency because of low reflectance as shown the cell treated in NaOH mixed solution.