• Journal of the Korean Chemical Society
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• v.55 no.3
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• pp.392-399
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• 2011

Two conformations of benzoic acid derivatives ($NH_2$, OH, H, F, Cl, CN, NO, $NO_2$) have been investigated at MP2, DFT and HF level using the 6-311++G(d,p) basis set. It was found that the cis isomers are more stable. Hydrogen bonding formation of benzoic acids has been estimated from stabilization energies. The calculated hydrogen-bonding energies of dimers showed a cooperative interaction in the cyclic ones. It was found that an electron-releasing group (ERG) into the phenyl rings resulted in the formation of more stable hydrogen bonding. Red shift of O-H bond was found from -565.3 to -589.3 for dimers. The natural bond orbital (NBO) analysis was applied to characterize nature of the interaction.

• The Journal of Korean Institute of Electromagnetic Engineering and Science
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• v.11 no.7
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• pp.1211-1217
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• 2000

The three-dimensional finite-difference time-domain (FDTD) method and the two-dimensional quasi-static formulation have been used to calculate the characteristic impedance and the microwave effective index of coplanar waveguide structures on Lithium Niobate ($LiNBO_3$) single crystal substrates with a yttria-stabilized zirconia (YSZ) or $SiO_2$ buffer layer. The results shown can be a good source to predict the modulator characteristics. The effects of the thin buffer layer and anisotropy of the $LiNBO_3$ crystal (x-cut and z-cut) are discussed. The comparison between the FDTD and quasi-static results shows good agreement. In this paper, the efficient modeling technique of the FDTD method for the coplanar waveguide (CPW) structures based on an anisotropic substrate with a thin buffer layer is developed.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.04b
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• pp.116-120
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• 2004

In this paper, we proposed a method to shift the resonant frequency by applying the electric field to microstrip patch antenna using piezoelectric substrates. We fabricated microstrip patch antenna using Y-cut LiNbO3, Quartz and FR-4 substrates. We designed and simulated the microstrip antennas by Ensemble V 7.0 of the simulation too1. We observed the resonant frequency by DC applied electric field in a microstrip patch antenna. When the electric field was 300 V/mm, the resonant frequency agile of Y-cut LiNbO3 microstrip patch antennas were 29 MHz. When the electric field was 400 V/mm, the frequency agile of X-cut, Y-cut and Z-cut quartz microstrip patch antennas were 55.2 MHz, 34.2 MHz and 28.0 MHz, respectively. However, when the electric field was 400 V/mm, the resonant frequency of FR-4 microstrip patch antenna does not changed. It was shown that the resonant frequency agile of Y-cut and Z-cut quartz microstrip patch antennas are due to piezoelectric phenomenon not to be permittivity.

• Korean Journal of Optics and Photonics
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• v.11 no.3
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• pp.193-197
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• 2000

A polarized mode convertible, wavelength tunable optical filters with acoustic barriers and acousto-optic effect have been produced in LiNb03 substrate utilizing the Ti double diffusion technique. Polarization conversion in excess of 81 % and a spectral width of -200 kHz (-1.83 nm) were achieved at a wavelength of 1551.6 nm and RF frequencies of 173.07 kHz and 173.05 kHz for both transverse electric (TE) and transverse magnetic (lM) input polarizations, respectively. The electrical driving power was 10.97 mW and reduced to about 10% of one for an optical filter without an acoustic barrier. A linear tuning rate of 8.2 nmlMHz and sidelobe intensity of -4 dB was demonstrated. rated.

• Journal of the Korean Wood Science and Technology
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• v.33 no.6 s.134
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• pp.79-86
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• 2005

Aspen wood (Populus tremuloides, L.) was biotreated with Ceriporiopsis subvermispora for 1, 2, 4, and 6 weeks to observe the physical/chemical modification of wood components. Milled wood lignins (MWLs) isolated from each decayed wood were analyzed by gel permeation chromatography (GPC) and nitrobenzene oxidation (NBO). As fungal treatment was progressed, lignin contents continuously decreased up to 20% after 6-week treatment. The lignin polymer could be fragmented to low-molecular phenolics, which make an enhancement of alkali solubility. Holocellulose contents were not affected severely during the period of fungal treatment, only reduction of 5~6% compared to the control. Xylose contents were decreased gradually from 23.4% to 18% after 6 weeks, whereas alpha-cellulose remained almost unchanged. Gel permeation chromatography (GPC) indicates that molecular weight of lignin undergoes a slight decrement for 4 weeks of fungal treatment. Nitrobenzene oxidation revealed that total yield of NBO products of lignins were lowered ca 20% after fungal treatment. Sum of syringaldehyde and syringic acid are remarkably decreased. However, increment of sum of vanillin and vanillic acid was surprisingly observed. These results work as indirect evidence that a specific lignolytic reaction, maybe selective demethoxylaytion of S-lignin, can occur during fungal treatment of aspen wood by C. subvermispora.

• Journal of the Korean Chemical Society
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• v.50 no.4
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• pp.281-290
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• 2006

The electronic structure and properties of the 1H-indene and mono-sila-1H-indene series have been investigated using basis set of 6-31G(d, p) and hybrid density functional theory. Basic measures of aromatic character derived from structure, molecular orbitals, a variety of magnetic criteria (magnetic isotropic and anisotropic susceptibilities) are considered. Energetic criteria suggest that In(Si7) enjoy conspicuous stabilization. However, by magnetic susceptibility isotropic this system are among the least aromatic of the family: Within their isomer series, In(Si4) is the most aromatic using this criteria. Natural bond orbital (NBO) analysis method was performed for the investigation of the relative stability and the nature of the 8-9 bonds in 1H-indene and mono-sila-1H-indene compounds. The results explained that how the p character of natural atomic hybrid orbital on X8 and X9 (central bond) is increased by the substitution of the C8 and C9 by Si. Actually, the results suggested that in these compounds, the X8-X9 bond lengths are closely controlled by the p character of these hybrid orbitals and also by the nature of C-Si bonds. The magnitude of the molecular stabilization energy associated to delocalization from X8-X9 and to * X8-X9 bond orbital were also quantitatively determined. Molecular orbital (MO) analysis further reveal that all structure has three delocalized MOs and two delocalized MOs and therefore exhibit the aromaticity.

• Journal of The Korean Society of Emergency Medicine
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• v.29 no.5
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• pp.509-518
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• 2018

Objective: The evidence that hyperbaric oxygen (HBO) therapy is more effective for improving the acute neuropsychological status (ANS) of carbon monoxide poisoning than normobaric oxygen (NBO) therapy is not convincing. This is because the levels of carboxyhemoglobin (COHb) do not correlate with the clinical severity of carbon monoxide poisoning and there is no universally accepted severity scale of carbon monoxide poisoning. This paper suggests a new scale for the clinical and neurological severity of carbon monoxide poisoning, called the ANS, and assesses the effect of HBO therapy for each level of ANS compared to NBO therapy. Methods: A total of 217 patients who had been hospitalized because of carbon monoxide poisoning from January 2009 to July 2013 were studied. ANS was suggested as a new severity scale of carbon monoxide poisoning considered in the Glasgow Coma Scale, acute neuro-psychologic signs and symptoms, or cardiac ischemia on the initial medical contact. HBO therapy is indicated in those who have a loss of consciousness, seizure, coma, abnormal findings on a neurological examination, pregnancy, persistent cardiac ischemia, level of COHb >25%, or severe metabolic acidosis (pH <7.2). The end point is the day of discharge, and recovery is defined as a normal neuro-psychological status without any sequelae. Results: The levels of troponin T and creatinine increased significantly with increasing ANS score. In the moderate to severe group (ANS 2 and 3), the recovery rate was significantly higher when treated with HBO therapy than with NBO therapy (P=0.030). On the other hand, the development of delayed neuro-psychological sequelae (DNS) did not correlate with any level of ANS, type of oxygen therapy, or recovery on discharge. Conclusion: In the moderate to severe poisoned group, HBO therapy is more effective for improving the ANS from carbon monoxide poisoning than NBO therapy. On the other hand, the development of DNS of HBO therapy is no more preventable than with NBO therapy. Although the level of ANS is low, the patient needs to be provided with sufficient information and a follow-up visit is recommended for any abnormal symptoms because the ANS does not correlate with the development and degree of DNS.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2473-2475
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• 2011

• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3265-3268
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• 2013

The multi-hydrogen bonded systems with the solvated electrons are investigated at the B3LYP/6-311++$G^{**}$ basis set level. The symmetrical linear geometrical characteristic is common for the dimer systems, while for the tetramer system, the tetrahedron configuration is generated. The NBO charge analyses demonstrate that the multi-hydrogen-multi-electron (mH-ne) coupling exist in these anion systems, as is supported by the electrostatic potential and the molecular orbital analyses. The positive chemical shift value of the central hydrogen ($H_c$) and the negative chemical shift value of the terminal hydrogen ($H_t$) indicate that the $H_c$ is electronegative while the $H_t$ is electropositive, respectively. Strong coupling between two central hydrogen atoms is demonstrated by the large spin-spin coupling constants. The solvated electron donates significant contributions for the stability of these systems.

• Bulletin of the Korean Chemical Society
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• v.30 no.2
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• pp.479-481
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• 2009