• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.302-302
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• 2011

The binary chalcogenide semiconductor Bi2Se3 is at the center of intensive research on a new state of matter known as topological insulators. It has Dirac point in their band structures with robust surface states that are protected against external perturbations by strong spin-orbit coupling with broken inversion symmetry. Such unique band configurations were confirmed by recent angle-resolved photoelectron emission spectroscopy experiments with an unwanted n-type doping effect, showing a Fermi level shift of about 0.3 eV caused by atomic defects such as Se vacancies. Since the number of defects can be reduced using the molecular beam epitaxy (MBE) method. We have prepared the Bi2Se3 film on noble metal Au(111) and semiconductor Si(111) substrates by MBE method. To characterize the film, we have introduced several surface sensitive techniques including x-ray photoemission electron spectroscopy (XPS) and micro Raman spectroscopy. Also, crystallinity of the film has been confirmed by x-ray diffraction (XRD). Using home-built scanning tunneling microscope, we observed the atomic structure of quintuple layered Bi2Se3 film on Au(111).

• Bulletin of the Korean Chemical Society
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• v.29 no.7
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• pp.1374-1378
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• 2008

Using DFT B3LYP/6-31+G(d,p)//B3LYP/6-31G(d,p) calculation method, stable molecular structures were optimized for the p-tert-butylcalix[4]arene functionalized at lower rim by cage-annulated crown ether (1) in two different conformers and their potassium-ion complexes. Cone conformer of free host 1 was slightly more stable than partial-cone conformer. For two different kinds of complexation mode, the potassium ion in benzene-rings (bz) pocket showed comparable complexation efficiency with the cation in cage-annulated crown-ether (cr) for the cone and partial-cone conformers of 1. The complex (1${\bullet}K^+$) in the cr-binding mode for the partial-cone conformer was more stable than the cone conformer for B3LYP/6-31G(d,p) geometry optimization. However, $1_{(cone)}{\bullet}K^+$(cr) showed lower single-point energy than the $1_{(pc)}{\bullet}K^+$(cr) for B3LYP/6- 31+G(d,p) calculation method.

• Proceedings of the Korea Crystallographic Association Conference
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• 2002.11a
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• pp.48-48
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• 2002

It is generally accepted that ultra low dielectric interlayer dielectric materials (k < 2.2) will be necessary for ULSI advanced microelectronic devices after 2003, according to the International Technology Roadmap for Semiconductors (ITRS) 2000. A continuous reduction of dielectric constant is believed to be possible only by incorporating nanopores filled with air (k = 1.0) into electrically insulating matrices such as poly(methyl silsesquioxane) (PMSSQ). The nanopo.ous low dielectric films should have excellent material properties to survive severe mechanical stress conditions imposed during the advanced semiconductor processes such as chemical mechanical planarization process and multilayer fabrication. When air is incorporated into the films for lowering k, their mechanical strength has inevitably to be sacrificed. To minimize this effect, the nanopores are controlled to exist in the film as closed cells. The micromechanical properties of the nanoporous thin films are considered more seriously than ever, particularly for ultra low dielectric applications. In this study, three approaches were made to design and develop nanoporous low dielectric films with improved micromechanical properties: 1) wall density increase of nanoporous organosilicate film by copolymerization of carbon bridged comonomers; 2) incorporation of sacrificial phases with good miscibility; 3) selective surface modification by plasma treatment. Nanoporous low-k films were prepared with copolymerized PMSSQ and star-shaped sacrificial organic molecules, both of which were synthesized to control molecular weight and functionality. The nanoporous structures of the films were observed using field emission scanning electron microscopy, cross-sectional transmission electron microscopy, atomic force microscopy, and positronium annihilation lifetime spectroscopy(PALS). Micromechanical characterization was performed using a nanoindentor to measure hardness and modulus of the films.

• 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.

• Environmental Engineering Research
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• v.11 no.4
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• pp.208-216
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• 2006

In order to create a single flocculant/dual flocculation system, polyacrylamide-co-trimethyl ammonium ethyl acrylate chloride (TAEAC) polymers with varying molecular weights and structures were prepared for use of flocculants. The higher the cationic density of the polymer is higher, the higher was the conversion rate and the ratio of monomer. An acrylamide as nonionic monomer was less reactive than a TAEAC as cationic monomer. The branched polymer which was polymerized with a cross-linking agent, N, N-methylene bis-acrylamide had a higher stability and higher viscosity than a linear polymer but its dewatering efficiency was poor in a single flocculation system. In the case of single flocculant/dual flocculation, the branched polymer has better flocculation efficiency and the water content of the dewatered cakes was lower than the others, as the result of a re-flocculation effect. The optimum conditions for dual flocculation are a sequence in which the $1^{st}$ and $2^{nd}$ dosage are 75% and 25%/total dosage of a single flocculation system. The dewatering efficiency of a dual flocculation system is improved considerably from 10 to 25% under the experimental conditions used herein.

• Journal of the Korean Applied Science and Technology
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• v.12 no.1
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• pp.93-99
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• 1995

As the surfactants that were used in micellar reaction, emulsion polymerization and phase-transfer reaction etc. have the problems, the cleavable surfactant that was converted to inactive compound after such as the reaction was synthesized to above 90% yield. And this surfactant and intermediates were separated through thin layer chromatography and column chromatatography and their molecular structures were confirmed from IR. $^{1}H$-NMR and elementary analysis spectra. And its surface-active properties and acid hydrolysis will be serialized in II.

• Proceedings of the Korean Biophysical Society Conference
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• 2003.06a
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• pp.76-76
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• 2003

We report here the results on N-acetyl-N'-methylamide of 4-fluoroproline (Ac-Flp-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level with the 6-31+G(d) basis set to investigate the stereoelectronic effects on the conformational preference of proline depending on the cis/trans peptide bonds and down/up puckerings along the backbone torsion angle $\square$ in the gas phase, chloroform, and water. In the gas phase, all potential energy surfaces for Ac-Flp-NHMe are quite similar to those of Ac-Pro-NHMe, except that up-puckered conformations are more stabilized than down-puckered ones. In chloroform and water, polyproline structures become dominant, whose populations are larger than those of Ac-Pro-NHMe. In chloroform and water, the populations of polyproline II (i.e., tF conformations) are quite similar to each other, but those of polyproline I (i.e., cF conformations) are larger by 5％ in water than in chloroform. In particular, all cis populations for Ac-Flp-NHMe in the gas phase, chloroform, and water are decreased than those of Ac-Pro-NHMe.

• Journal of Korea Foresty Energy
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• v.21 no.1
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• pp.41-48
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• 2002

The barks of oak trees (Quercus acutissima and Quercus variabilis) were collected, extracted with acetone-$H_2O$ (7:3, v/v), fractionated with hexane, $CH^2C1^2$ EtOAc and -$H_2O$, then freeze dried to give dark brown powder. The EtOAc soluble mixtures of the trees were chromatographed on a Sephadex LH-20 column using a series of aqueous methanol and ethanol-hexane mixture as eluents. The structures of isolated compounds were characterized by $^1H$, $^13C$ and 2D-NMR spectroscopy and molecular weights were determined by FAB-MS spectra. The isolated compounds from Quercus acutissima were (+)-catechin, (+)-gallocatechin, gallic acid and taxifolin-3-O-$\beta$-D-glucopyranoside and the compounds from Quercus variahilis (+)-catechin, caffeic acid and taxifolin-3-O-$\beta$-D-glucopyranoside.

• 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.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.