• The Korean Journal of Rheology
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• v.6 no.2
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• pp.147-156
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• 1994

폴리프로필렌 이산화티타늄 첨가 폴리프로필렌을 심초형 복합 방사하여 첨가제를 섬유의 중심부분, 또 표면부분에 차별분포시켰다. TiO2의 함량이 증가함에 따라 점도(η)와 저장탄성계수(G＇)는 증가하였다. 전자현미경으로 파단면의 모폴로지를 관찰한 결과 TiO2와 함량이 증가함에 따라 감소하는 경향을 보였다. TiO2의 함량 증가에 따라 강력, 절단신도, 그리고 탄성계수는 감소하였다. 복합방사한 섬유의 TiO2 함량이 2% 미만일 때는 homo PP 보다 강력이 좋아졌다. 복합 섬유의 탄성계수는 중심부에 homo PP가 분포한 경우가 더 컸 고 강력과절단 신도는 중심부에 filled PP가 분포한 경우가 더 컸다.

• Textile Coloration and Finishing
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• v.26 no.1
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• pp.7-12
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• 2014

Nowdays, fluorescent rhodamine chemosensors have attracted a worldwide interest due to its ability to selectively detect heavy and transition metal cations. Due to the importance in environmental and biological toxic effects, the developments of fluorescent chemosensors have been received considerable attention in recent. Especially, a rhodamine-based chemosensor probes have been proved to be useful by exhibiting the efficient "off-on" fluorescence switching toward selected metal cations. This fluorophore can undergo the transformation from non-fluorescent and colorless spirolactam derivative to fluorescent ring-open form. In this study, a new fluorescent chemosensor was synthesized using rhodamine B through two-step procedures, and its selectivity and related optical property were characterized. Selectivity and sensitivity was found toward $Cu^{2+}$ guest molecules and then related optical properties of rhodamine B based fluorescent chemosensor compound were characterized using discussed. In addition, computational calculation was used to determine the HOMO/LUMO values.

• Bulletin of the Korean Chemical Society
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• v.35 no.2
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• pp.448-456
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• 2014

A series of seven Ru(II) complexes bearing NHC ligands have been synthesized. The electronic structures of these complexes were analysed by spectroscopic and electrochemical methods and further examined by theoretical calculations. Data show that absorption maxima are dependent on the HOMO level rather than the HOMO-LUMO gaps.

• Journal of the Korean Chemical Society
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• v.37 no.4
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• pp.448-452
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• 1993

To find out a correlation between anti-folate activity and physical properties of folate analogues, geometric parameters, dipole moment, net charges, HOMO and LUMO energies were calculated. The electronic properties do not give any correlations with inhibition of folate reductase, but the calculated geometries show some correlations.

• Bulletin of the Korean Chemical Society
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• v.33 no.6
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• pp.1925-1928
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• 2012

Adsorption of alkali metals (Li, Na, and K) on the surface of magnesium oxide nanotubes (MgONTs) with different diameters was investigated using density functional theory. According to the obtained results, the most stable adsorption site was found to be atop the oxygen atom of the tube surface with adsorption energies in the range of -0.25 to -0.74 eV. HOMO-LUMO gap ($E_g$) of the tubes dramatically decreases upon the adsorption of the alkali metals, resulting in enhancement of their electrical conductivity enhancement. The order of $E_g$ decrement caused by the metal adsorption is as follows: K > Na > Li. The results suggest that the MgONTs were transformed from semi-insulator to semiconductor upon the alkali metal adsorption. Increasing the tube diameter, the HOMO/LUMO gap of the pristine tube is enhanced and adsorption energies of the alkali metals are decreased.

• Journal of the Korea Furniture Society
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• v.13 no.2
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• pp.53-62
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• 2002

Due to the industrial development some scholars insist that homo sapiens has become a new race--homo sedens. Since this great degree of behavioral change often cause problems in the spinal column, the appropriate sitting became critical. The nineteenth-century idea of sitting upright position is not considered as a proper sitting any longer. Recent studies by such psychological scientists as A. C. Mandal, Ernest McCormick, and Karl Kroemer show that the spinal column in s-curve with forward bends should be efficiently supported in that manner. Designing a chair sometimes focuses on aesthetic points rather than true ergonomic considerations. Therefore, these result in deleterious effects on human bodies such as lordosis and kyphosis. In fact, it has been overlooked due to the lack of technical and scientific supports. Also, in a mass production, it is hard to meet everyone's need. However, the well adapted ergonomic considerations should meet the needs for wide ranges of people. Indeed, in this study we will examine designing chairs in ergonomic perspectives and suggest additional controversial points and alternatives.

• Textile Coloration and Finishing
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• v.25 no.3
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• pp.159-164
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• 2013

Pyrene based molecule has been synthesized through the reaction of pyrene-1-carboxaldehyde and 4- phenylthiosemicarbazide in this research. The pyrene based molecule showed specific optical properties such as absorption and emission changes after mixing with fluoride in DMSO. The phenomenon is induced by the interaction of the molecule and fluoride. This interaction may affect to electron distributions and potential energy levels. In this regard, synthesized pyrene based molecule has been investigated for its electron distributions and HOMO/LUMO energy levels depending on interaction with fluoride. The absorption measurement, cyclicvoltammograms and computational method were investigated to calculate and compare energy potential levels.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2007.06a
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• pp.68-69
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• 2007

We have prepared p-type ZnO:Al films in pure oxygen ambient on n-type Si (100) and homo buffer layers by RF magnetron sputtering system. Hall effect measurement shows that the film annealed at $600^{\circ}C$ possesses p-type conductivity and the film annealed $800^{\circ}C$ does not. PL spectra show different properties of p- and n-type ZnO film. The corresponding peaks of PL spectra of p- and n-type show at about same positions. The intensities of high photon energy of n-type film on buffer shows decreasing tendency.

• Bulletin of the Korean Chemical Society
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• v.1 no.1
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• pp.4-10
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• 1980

Simple rules for predicting nonbonded interactions have been proposed. It was found that an end-to-end nonbonded interaction is either attractive or repulsive depending on the sign of the product of AO coefficients of two end atoms in the HOMO of a closed shell conjugated system with a crowded structure. The nonbonded attraction becomes the greatest in a 4N + 2 electron conjugated system, while it is repulsive in a 4N electron system. For 4N + 1 and 4N - 1 electron systems, it is attractive but the effect is less than that in 4N + 2 system. As a result of the attractive interaction, the overlap population of an atom pair increases (decreases) if the HOMO is antibonding (bonding) for the atom pair. The rules were illustrated with some examples.

• Bulletin of the Korean Chemical Society
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• v.17 no.12
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• pp.1112-1117
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• 1996

The electronic structures of twenty-seven isomers of a macrocyclic fulleropyrrolidine are investigated with semi-empirical extended Huckel (EH) molecular orbital method. The geometry of each isomer is determined by the molecular mechanics and dynamics methods based on UFF (universal force field) empirical force field. The calculated geometries, such as the carbon-carbon distances of the fullerene moiety, are in good agreement with those of related fullerene derivatives. The EH calculation shows that the formation of macrocyclic pyrrolidine ring on fullerene moiety results in the reduction of the HOMO-LUMO energy gap. From the graphical analysis of the DOS (density of states), PDOS (projected DOS), and MOOP (molecular orbital overlap population) curves, we can find that this reduction is due to splitting of the HOMO of fullerene moiety, which results from the symmetry-breaking and the distortion of the buckminsterfullerene framework from its ideal icosahedral structure.