• The Bulletin of The Korean Astronomical Society
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• v.40 no.1
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• pp.59.1-59.1
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• 2015

We present hydrodynamic simulations of gas clouds that inflowing from the disk to a few hundred parsec region of the Milky Way. Realistic Galactic structures are included in our simulations by thousands of multipole expansions that describe 6.4 million stellar particles of a self-consistent Galaxy simulation (Baba, Saitoh & Wada, in prep.). We find that a hybrid multipole expansion model with two different basis sets and a thick disk correction well reproduces the overall structures of the Milky Way. We find that the nuclear ring evolves into 240 pc at T~1500 Myr, regardless of the initial size. For most of simulation runs, gas inflow rate to the nuclear region is equilibrated as ~0.02 Msun/yr, and thus accumulated gas mass and star formation activity is stabilized as $6{\times}10^7Msun$ and ~0.02M/yr, respectively. These stabilized values are in a good agreement with estimations for the CMZ. The nuclear ring is off-centered to the Galactic center by the lopsided central mass distribution of the Galaxy model, and thus an asymmetric mass distribution is arose accordingly. The lopsidedness also leads the nuclear ring to be tilted to the Galactic plane and to precess along the Galaxy rotation. In early evolutionary stage when gas clouds start to inflow and form the nuclear ring, the z-directional oscillations of the gas clouds results in the twisted, infinity-shaped nuclear ring. Since the infinity-shaped feature is transient only for first 100 Myr, the current infinity-shape observed in the CMZ may indicate that the CMZ forms quite recently.

• Polymer(Korea)
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• v.39 no.3
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• pp.499-505
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• 2015

Polyorganosiloxane having controlled cross-linking density and phenyl group content were prepared by dimethyldimethoxysilane (DMDMS), methyltrimethoxysilane (MTMS) and phenyltrimethoxysilane (PTMS). The effect of cross-linking density and phenyl group content on the physical properties of siloxane resin and its coated film have been invetigated. Si-NMR results confirmed that synthesized siloxane resins have equivalent D $T^{Me}$ $T^{Ph}$ structures according to applied mole ratios of DMDMS, MTMS and PTMS. Polyorganosiloxane having higher cross-linking density with high phenyl content showed the high molecular weight and increasing phenyl content resulted in higher refractive index as well as better thermal stability. Cross-linking density is more important factor than phenyl content to obtain higher pencil hardness of coated film on the glass. Our results concluded that even polyorganosiloxanes having similar siloxane structures show different physical properties as function of cross-linking density and phenyl content in polyorganosiloxane.

• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.2937-2942
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• 2012

We have theoretically investigated the magnetic properties of N-confused porphyrin (NCP), tetraphenyl-N-confused porphyrin (TPNCP) and their substituted derivatives with O, S and Se heteroatoms (2ONCP, 2STPNCP, 2SeNCP, 2OTPNCP, etc.) by using DFT method. In the minimum energy structures of the 2OTPNCP, the two couples opposite phenyl substitutes are staggered. In the case of TPNCP, 2STPNCP and 2SeTPNCP, two phenyls being respectively close to or opposite to N-confused pyrrole are found to be pointed the same direction, whilst others are in the opposite direction. Based on the equilibrium structures, the $^1H$ chemical shifts and nucleus-independent chemical shifts (NICS) are calculated in this paper. The ${\pi}$ current density being induced by the tridimensional perpendicular magnetic field transmits the inner section of the pyrrole segments for NCP and TPNCP. As for their substituted derivatives with O, S and Se atoms, the current path passes through the outer section of the two heterorings. The NICS values at the ring critical points of the heterorings are much lower (in absolute value) than those of which is at the center of an isolated pyrrole molecule. The $^1H$ NMR for ${\beta}H$ atoms of the heterorings decreases from O, S to with Se.

• Bulletin of the Korean Chemical Society
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• v.29 no.6
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• pp.1141-1148
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• 2008

Geometry optimizations and electronic structure calculations are reported for meso-tetraphenyl porphyrin (TPP) and a series of meso-substituted catecholic porphyrins (KP99150, KP99151, KP99152, KP99153, and KP99090) using density functional theory (DFT). The calculated B3LYP//RHF bond lengths are slightly longer than those of LSDA//RHF. The calculated electronic structures clearly show that TPP and meso-catecholic group contribute to π-electron conjugation along porphyrin ring for HOMO and LUMO, significantly reduced the HOMO-LUMO gap. The wavelength due to B3LYP energy gaps is favored with experimental value in Soret (B), and LSDA energy gaps are favored with experimental value in visible bands (Q). The electronic effect of the catecholic groups is to reduced energies of both the HOMOs and LUMOs. However, the distortion of porphyrin predominantly raises the energies of the HOMOs, so the net result is a large drop in HOMO and smaller drop in LUMO energies upon meso-substituted catecholic group of the porphyrin macrocycle as shown in KP99151 and KP99152 of Figure 5(a). These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

• Geomechanics and Engineering
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• v.22 no.3
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• pp.245-254
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• 2020

The interaction between the frozen soil and building structures deteriorates with the increasing temperature. A nuclear magnetic resonance (NMR) stratification test was conducted with respect to the unfrozen water content on the interface and a shear test was conducted on the frozen soil-structure interface to explore the shear characteristics of the frozen soil-structure interface and its failure mechanism during the thawing process. The test results showed that the unfrozen water at the interface during the thawing process can be clearly distributed in three stages, i.e., freezing, phase transition, and thawing, and that the shear strength of the interface decreases as the unfrozen water content increases. The internal friction angle and cohesive force display a change law of "as one falls, the other rises," and the minimum internal friction angle and maximum cohesive force can be observed at -1℃. In addition, the change characteristics of the interface strength parameters during the freezing process were compared, and the differences between the interface shear characteristics and failure mechanisms during the frozen soil-structure interface freezing-thawing process were discussed. The shear strength parameters of the interface was subjected to different changes during the freezing-thawing process because of the different interaction mechanisms of the molecular structures of ice and water in case of the ice-water phase transition of the test sample during the freezing-thawing process.

• Molecules and Cells
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• v.39 no.11
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• pp.814-820
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• 2016

FtsZ, a tubulin homologue, is an essential protein of the Z-ring assembly in bacterial cell division. It consists of two domains, the N-terminal and C-terminal core domains, and has a conserved C-terminal tail region. Lateral interactions between FtsZ protofilaments and several Z-ring associated proteins (Zaps) are necessary for modulating Z-ring formation. ZapD, one of the positive regulators of Z-ring assembly, directly binds to the C-terminal tail of FtsZ and promotes stable Z-ring formation during cytokinesis. To gain structural and functional insights into how ZapD interacts with the C-terminal tail of FtsZ, we solved two crystal structures of ZapD proteins from Salmonella typhimurium (StZapD) and Escherichia coli (EcZapD) at a 2.6 and $3.1{\AA}$ resolution, respectively. Several conserved residues are clustered on the concave sides of the StZapD and EcZapD dimers, the suggested FtsZ binding site. Modeled structures of EcZapD-EcFtsZ and subsequent binding studies using bio-layer interferometry also identified the EcFtsZ binding site on EcZapD. The structural insights and the results of bio-layer interferometry assays suggest that the two FtsZ binding sites of ZapD dimer might be responsible for the binding of ZapD dimer to two protofilaments to hold them together.

• BMB Reports
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• v.51 no.8
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• pp.412-417
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• 2018

Homotypic cell-in-cell (CIC) structures forming between cancer cells were proposed to promote tumor evolution via entosis, a nonapoptotic cell death process. However, the mechanisms underlying their formation remained poorly understood. We performed a microarray analysis to identify genes associated with homotypic CIC formation. Cancer cells differing in their ability to form homotypic CIC structures were selected for the study. Association analysis identified 73 probe sets for 62 candidate genes potentially involved in CIC formation. Among them, twenty-one genes were downregulated while 41 genes were upregulated. Pathway analysis identified a gene interaction network centered on IL-8, which was upregulated in high CIC cells. Remarkably, CIC formation was significantly inhibited by IL-8 knockdown and enhanced upon recombinant IL-8 treatment, which correlated with altered cell-cell adhesion and expression of adhesive molecules such as P-cadherin and ${\gamma}$-catenin. Together, our work identified IL-8 as a positive regulator of homotypic CIC formation via enhancing intercellular adhesion.

• Proceedings of the Korean Vacuum Society Conference
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• 2015.08a
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• pp.191.2-191.2
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• 2015

Details of carrier dynamics in self-assembled quantum dots (QDs) with a particular attention to nonradiative processes are not only interesting for fundamental physics, but it is also relevant to performance of optoelectronic devices and the exploitation of nanocrystals in practical applications. In general, the possible processes in such systems can be considered as radiative relaxation, carrier transfer between dots of different dimensions, Auger nonradiactive scattering, thermal escape from the dot, and trapping in surface and/or defects states. Authors of recent studies have proposed a mechanism for the carrier dynamics of time-resolved photoluminescence CdTe (a type II-VI QDs) systems. This mechanism involves the activation of phonons mediated by electron-phonon interactions. Confinement of both electrons and holes is strongly dependent on the thermal escape process, which can include multi-longitudinal optical phonon absorption resulting from carriers trapped in QD surface defects. Furthermore, the discrete quantized energies in the QD density of states (1S, 2S, 1P, etc.) arise mainly from ${\delta}$-functions in the QDs, which are related to different orbitals. Multiple discrete transitions between well separated energy states may play a critical role in carrier dynamics at low temperature when the thermal escape processes is not available. The decay time in QD structures slightly increases with temperature due to the redistribution of the QDs into discrete levels. Among II-VI QDs, wide-gap CdZnTe QD structures characterized by large excitonic binding energies are of great interest because of their potential use in optoelectronic devices that operate in the green spectral range. Furthermore, CdZnTe layers have emerged as excellent candidates for possible fabrication of ferroelectric non-volatile flash memory. In this study, we investigated the optical properties of CdZnTe/ZnTe QDs on Si substrate grown using molecular beam epitaxy. Time-resolved and temperature-dependent PL measurements were carried out in order to investigate the temperature-dependent carrier dynamics and the activation energy of CdZnTe/ZnTe QDs on Si substrate.

• Molecules and Cells
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• v.27 no.1
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• pp.99-103
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• 2009

Ribose-5-phosphate isomerase A (RpiA) plays an important role in interconverting between ribose-5-phosphate (R5P) and ribulose-5-phosphate in the pentose phosphate pathway and the Calvin cycle. We have determined the crystal structures of the open form RpiA from Vibrio vulnificus YJ106 (VvRpiA) in complex with the R5P and the closed form with arabinose-5-phosphate (A5P) in parallel with the apo VvRpiA at $2.0{\AA}$ resolution. VvRpiA is highly similar to Escherichia coli RpiA, and the VvRpiA-R5P complex strongly resembles the E. coli RpiA-A5P complex. Interestingly, unlike the E. coli RpiA-A5P complex, the position of A5P in the VvRpiA-A5P complex reveals a different position than the R5P binding mode. VvRpiA-A5P has a sugar ring inside the binding pocket and a phosphate group outside the binding pocket: By contrast, the sugar ring of A5P interacts with the Asp4, Lys7, Ser30, Asp118, and Lys121 residues; the phosphate group of A5P interacts with two water molecules, W51 and W82.

• Korean Journal of Materials Research
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• v.20 no.4
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• pp.199-203
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• 2010

Hybridization of semiconductor materials with carbon nanotubes (CNTs) is a recent field of interest in which new nanodevice fabrication and applications are expected. In this work, nanowire type GaAs structures are synthesized on porous single-wall carbon nanotubes (SWCNTs) as templates using the molecular beam epitaxy (MBE) technique. The field emission properties of the as-synthesized products were investigated to suggest their potential applications as cold electron sources, as well. The SWCNT template was synthesized by the arc-discharge method. SWCNT samples were heat-treated at $400^{\circ}C$ under an $N_2/O_2$ atmosphere to remove amorphous carbon. After heat treatment, GaAs was grown on the SWCNT template. The growth conditions of the GaAs in the MBE system were set by changing the growth temperatures from $400^{\circ}C$ to $600^{\circ}C$. The morphology of the GaAs synthesized on the SWCNTs strongly depends on the substrate temperature. Namely, nano-crystalline beads of GaAs are formed on the CNTs under $500^{\circ}C$, while nanowire structures begin to form on the beads above $600^{\circ}C$. The crystal qualities of GaAs and SWCNT were examined by X-ray diffraction and Raman spectra. The field emission properties of the synthesized GaAs nanowires were also investigated and a low turn-on field of $2.0\;V/{\mu}m$ was achieved. But, the turn-on field was increased in the second and third measurements. It is thought that arsenic atoms were evaporated during the measurement of the field emission.