• Journal of the Korean Chemical Society
• /
• v.61 no.1
• /
• pp.7-11
• /
• 2017

The extended $H{\ddot{u}}ckel$ method is employed to analyze the interaction of carbon monoxide with the TiC(001) surfaces, both perfect and containing carbon vacancies. CO exhibits a similar ${\sigma}$-donation interaction for both $Ti_{25}C_{25}$ and $Ti_{25}C_{23}$ clusters, as deduced from the fact that the populations of the CO $5{\sigma}$ orbital are identical upon adsorption, but it bonds more strongly with the $Ti_{25}C_{23}$ than with the $Ti_{25}C_{25}$ because the metal d electron density in $Ti_{25}C_{23}$ provides ${\pi}$ back-bonding interactions with CO that are absent in $Ti_{25}C_{25}$. This work suggests that a difference in reactivity toward CO of stoichiometric TiC and TiC with carbon defects is connected with the occupancy of $2{\pi}^*$ orbitals that leads to a significant weakening of the C-O bond.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.5
• /
• pp.1441-1444
• /
• 2013

Hetero-dimer anions of naphthalene (Np), anthracene (An), phenanthrene (Ph) and pyrene (Py) were investigated using the time-of-flight mass spectrometer (TOF-MS), anion photoelectron spectroscopy (PES) and theoretical calculation. There are two possible geometries with their electron affinity (EA) difference: parallel displaced (PD) and T-shaped. Dispersion force plays a key role in PD structure with the formation of a new anionic core while ${\pi}$-hydrogen interaction plays a key role in T-shaped structure with the monomer anionic core. The optimized structures and charge distributions can simply be explained by the relative difference of EA.

• Bulletin of the Korean Chemical Society
• /
• v.4 no.3
• /
• pp.123-127
• /
• 1983

The crystal structure of metoclopramide, $C_14H_22ClN_3O_2$, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with Mo $K\alpha$ radiation from a crystal with space group symmetry $P{\overline{1}}$ and unit cell parameters a = 7.500(1), b = 8.707(2), c = 13.292(2) ${\AA}$; ${\alpha}$ = 101.70(2), ${\beta}$ = 81.20(2), and ${\gamma}$ = $114.90(l)^{\circ}$. The sructure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.055 for the 1524 observed reflections. The bent overall-conformation of the molecule seems to be determined mainly by the bifurcated intramolecular hydrogen bond from the amide nitrogen atom to the methoxy oxygen and the amine nitrogen atoms. The crystal packing consists of the hydrogen bonds, ${\pi}-{\pi}$ interaction and hydrophobic interaction.

• Bulletin of the Korean Chemical Society
• /
• v.14 no.1
• /
• pp.101-107
• /
• 1993

Ab initio calculations are carried out at the 6-311G$^{**}$ level for the $C_{2v}$ interactions of Be and Li atoms with acetylene molecule. The main contribution to the deep minima on the $^3B_2\;BeC_2H_2\;and\;^2B_2 LiC_2H_2$ potential energy curves is the b_2\;(2p(3b_2)-l{\pi}_g^*(4b_2))$ interaction, the $a_1\;(2s(6a_1)-I{\pi}_u(5a_1))$ interaction playing a relatively minor role. The exo deflection of the C-H bonds is basically favored, as in the $b_2$ interaction, due to steric crowding between the metal and H atoms, but the strong in-phase orbital interaction, or mixing, of the $a_1$ symmetry hydrogen orbital with the $5a'_1,\;6a'_1,\;and\;7a'_1$ orbitals can cause a small endo deflection in the repulsive complexes. The Be complex is more stable than the Li complex due to the double occupancy of the 2s orbital in Be. The stability and structure of the $MC_2H_2$ complexes are in general determined by the occupancy of the singly occupied frontier orbitals.

• Korean Journal of Clinical Laboratory Science
• /
• v.39 no.3
• /
• pp.249-255
• /
• 2007

While respiratory burst enhances neutrophil glucose utilization, many neutrophil functions are critically influenced by extracellular matrix interaction and phosphoinositide-3-OH kinase (PI3K) signaling. We thus evaluated the role of RGD integrin occupancy and PI3K inhibition on respiratory burst and [18F]FDG uptake of stimulated neutrophils. Human neutrophils were stimulated by 100 ng/mL phorbol-myristate-acetate (PMA), and respiratory burst was measured by cumulative luminescence with lucigenin. [18F]FDG uptake and total hexokinase activity was measured 20 min after PMA stimulation in the presence or absence of soluble RGD peptides (200 g/mL) and/or the PI3K inhibitor wortmannin (200 nM). PMA induced a 71.70.9 fold increase in neutrophil oxygen intermediate generation. [18F]FDG uptake was increased to $194.6{\pm} 3.7%$ and hexokinase activity to $145.0{\pm}2.0%$ of basal levels (both p<0.0005). RGD peptides attenuated respiratory burst activation to $35.6{\pm}0.2%$ (p<0.005), but did not inhibit stimulated [18F]FDG uptake or hexokinase activity. In contrast, without affecting respiratory burst activation, wortmannin inhibited PMA stimulated [18F]FDG uptake to $66.9{\pm}1.6%$ and hexokinase activity to $81.0{\pm}4.2%$ (both P<0.0005), demonstrating its dependence on PI3K activity. Neither RGD nor wortmannin reversed the other's inhibitory effect on stimulated [18F]FDG uptake and hexokinase activity or respiratory burst, which suggests the involvement of distinct signaling pathways. Neutrophil [18F]FDG uptake is enhanced by PMA through a mechanism that requires PI3K activity but is independent of integrin receptor occupancy or respiratory burst activation.

• Journal of Advanced Marine Engineering and Technology
• /
• v.39 no.9
• /
• pp.953-958
• /
• 2015

Raspberry Pi is a credit card-sized computer with support for a large number of input and output peripherals. This makes it the perfect platform for interaction with many different devices and for usage in a wide range of applications. When combined with Wi-Fi, it can communicate remotely, therefore increasing its suitability for the construction of wireless sensor nodes. In addition, data processing and decision-making can be based on artificial intelligence, what is performed in developed testbed on the example of monitoring and determining the confidence of fire. In this paper, we demonstrated the usage of Raspberry Pi as a sensor web node for fire-safety monitoring in a building. When the UV-flame sensors detect a flame as thin as that of a candle, the Raspberry Pi sends a push-message to notify the assigned smartphone of the on-site situation through the GCM server. A mobile app was developed to provide a real-time video streaming service in order to determine a false alarm. If an emergency occurs, one can immediately call for help.

• Journal of the Korean Chemical Society
• /
• v.35 no.3
• /
• pp.196-203
• /
• 1991

The $pK_a$ values of benzoic acid and meta, para-halogen substituted benzoic acids in MeOH-$H_2O$ mixtures (0∼80% of MeOH) have been determined at 25$^{\circ}$C using a conductometric method on the basis of the Fuoss-Kraus equation, and further verified using modified conductometric method of Gelb. The dependence of $pK_a$ on halogen substituents has been discussed in terms of substituent-constant (${\sigma}$), which is devided into electron-withdrawing inductive contribution (${\sigma}_1$) and electron-donating ${\pi}$-resonance one (${\sigma}_R$). The linear-dependence of ${\sigma}_1$'s on $D^{-1}$ with positive slope and that of ${\sigma}_R$'s on $D^{-1}$ with negative slope have been interpreted on the basis of field effect and through-space interaction of ${\pi}$-lone pair of halogen substituent and ionization center via ${\pi}$-system of benzene ring.

• Proceedings of the KIEE Conference
• /
• 1998.07d
• /
• pp.1258-1260
• /
• 1998

In this study, we investigated the generation of pretilt angle for nematic liquid crystal (NLC) in a cell with oblique non-polarized ultraviolet (UV) light irradiation on polyimide (PI) surfaces. It was found that the monodomain alignment of the NLC is obtained with an angle of incidence of $70{\sim}85^{\circ}$ on PI surface. We consider that the monodomain alignment of NLC is attributed to anisotropic dispersion force due to photo-depolymerization of polymer on PI surfaces. Also, pretilt angle of NLC is generated about $3^{\circ}$ with an angle of incidence of $70{\sim}75^{\circ}$. It is considered that the pretilt angle generation in NLC is attributed to interaction between the LC molecules and the polymer surfaces.

• BMB Reports
• /
• v.43 no.3
• /
• pp.199-204
• /
• 2010

The protein p104 was first isolated as a binding partner of the Src homology domain of phospholipase C$\gamma$1, and has been shown to associate with p85$\alpha$, Grb2. The ectopic expression of p104 reduced cellular growth rate, which was also achieved with the overexpression of only the proline-rich region of p104. The proline-rich region of p104 has been found to inhibit the colony formation of platelet-derived growth factor BB-stimulated NIH3T3 cells and MCF7 cancer cells on soft agar. Mutagenesis analysis showed that the second and third proline-rich regions are essential for growth control, as well as for interaction with p85$\alpha$. Overexpression of p104 increased the level of the cyclin-dependent kinase inhibitor, $p27^{Kip1}$, and inhibited the activity of phosphoinositide 3-kinase (PI3K). In summary, p104 interacts with p85$\alpha$ and is involved in the regulation of $p27^{Kip1}$ expression for the reduction of cellular proliferation.

• Bulletin of the Korean Chemical Society
• /
• v.7 no.3
• /
• pp.196-200
• /
• 1986

The solvent change and salt do not affect the fluorescence quantum yield of 1,3-dimethylnaphtho[1,2-e]uracil indicating the considerable energy gap between the lowest singlet $({\pi},\;{\pi}^{\ast})\;and\;(n,\;{\pi}^{\ast})$ states in the compound. The results are consistent with the strong quenching of fluorescence by ethyl iodide. Fluorescence quantum yield is nearly independent of temperature, probably due to the relatively inefficient internal conversion. Unusual spectral difference is observed in isopentane and ethanol at 77K. The temperature dependence of emission in isopentane and in ethanol suggests that the increase of charge transfer character by the conformational change in isopentane leads to the structureless and red-shifted fluorescence, while in ethanol the decrease of the charge transfer character by the hydrogen bonding interaction results in the structured and blue-shifted fluorescence along with phosphorescence at the low temperature. Temperature dependence of emission in poly(methylmethacrylate) matrix indicates that $T_1{\to}S_0$ radiationless decay is an important process responsible for the strong temperature dependence of phosphorescence.