• Bulletin of the Korean Chemical Society
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• 제15권12호
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• pp.1070-1079
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• 1994

Quantitative Structure-Activity Relationship (QSAR) studies are performed for the sets of 40 quinolones and 47 naphthyridines. Net charge, van der Waals volume, polarizability, and dipole moment are empolyed as theoretical descriptors(independent variables) to find the relationship between activity and physicochemical properties such as electrostatic effect, steric effect, and transferability. The results are analyzed by the regression and the factor analysis. It is found that for Gram-negative bacteria, the QSAR of quinolone and naphthyridine are substantially different: to describe the activity, the electrostatic effect is the most important for quinolone, and the steric effect and the transferability for naphthyridine.

• 한국표면공학회지
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• 제56권4호
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• pp.227-232
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• 2023

In this study, complex admittance as a function of temperature and frequency was measured to analyze the important relaxation properties of lead scandium niobate, which is physically important, although it is not an environmentally friendly electrical and electronic material, including lead. Lead scandium niobate was synthesized by heat treating the solid oxide, and the conductance, susceptance and capacitance were measured as a function of temperature and frequency from the temperature dependence of the RLC circuit. The relaxation characteristics of lead scandium niobate were found to be affected by contributions such as grain size, grain boundary characteristics, space charge, and dipole arrangement. As the temperature rises, the maximum admittance and susceptance increase in one direction, but the resonance frequency decreases below the transition temperature but increases after the phase transition.

• 대한화학회지
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• 제34권3호
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• pp.267-279
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• 1990

Amberlite XAD-2 및 XAD-7 수지에 대한 페놀과 그 할로겐 일치환체들에 대한 흡착성을 분포계수를 측정하여 조사하였다. XAD 수지에 대한 페놀의 흡착은 Langmuir 등온흡착으로 설명될 수 있었으며, 이 때의 흡착은 분자의 크기에 따르는, 즉 분산상호작용에 기인하는 전형적인 물리흡착임을 알았다. 고분자 합성수지에 대한 페놀류의 흡착에너지는 Lennard-Jones potential로 계산하였다. 이 때 고분자 수지의 반지름은 수지의 최소기본단위의 van der Waals 부피로부터 계산하였으며 페놀류의 분자 반지름도 같은 방법으로 구하였다. 페놀유도체들의 흡착성은 각 수지에 대한 시료의 Stacking factor (F)-고분자 수지와 페놀류사이의 van der Waals 부피로부터 구한 평형거리의 보정인자-로부터 흡착에너지를 구하고 뱃치법으로 측정한 흡착엔탈피값과 비교함으로써 설명할 수 있었다. 각 수지에 대한 페놀이온의 흡착엔탈피는 쌍극자 작용력이나 하전-쌍극자 상호작용보다 분산상호작용이 주 요인인 것으로 나타났다.

• 대한화학회지
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• 제48권2호
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• pp.123-128
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• 2004

폴리아민과 이미다졸 유도체에 대해서 AM1, PM3, ZINDO/1법으로 형성엔탈피(${\Delta}H_f$), HOMO, LUMO에너지 및 쌍극자힘(${\mu}_D$) 값을 얻었다. 이들 리간드를 Ni(II)에 배위시킨 Ni(II)착물의 저해활성효과를 ZINDO/1(Zerner''s Intermediate Neglect of Differential Overlap No.1)법으로 조사하였다. Ni(II)착물의 중심금속의 알짜전하 값이 0.03 이상과 형성엔탈피가 음의 값으로 300 eV이상에서 실험적인 저해활성 값이 나타남을 보였다. 그 결과 Ni(II)착물은 불안정한 5배위 사각피라미드형인 [Ni(dpt)(tn)]$^{2+}$(dpt=3,3''-diaminodipropylamine)(tn=1,3-diaminopropane)와 일그러진 사면체인 [Ni(N-PropIm)$_2$(NCS))$_2$](N-PropIm=N-Propylimidazole)를 제외한 착물에서는 저해활성 값이 나타남을 알 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제27권12호
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• pp.2002-2010
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• 2006

This study examined the quenching of ofloxacin (OFL) and flumequine (FLU) fluorescence by $Cuj^{2+}$, $Ni^{2+}$, $Co^{2+}$ and $Mn^{2+}$ in an aqueous solution. The change in the fluorescence intensity and lifetime was measured at various temperatures as a function of the quencher concentration. According to the Stern-Volmer plots, the fluorescence emission was quenched by both collisions (dynamic quenching) and complex formation (static quenching) with the same quencher but the effect of static quenching was larger than that of dynamic quenching. Large static and dynamic quenching constants for both OFL and FLU support significant ion-dipole and orbital-orbital interactions between fluorophore and quencher. For both molecules, the static and dynamic quenching constants by $Cu^{2+}$ were the largest among all the metal quenchers examined in this study. In addition, both the static and dynamic quenching mechanisms by $Cu^{2+}$ were somewhat different from the quenching caused by other metals. Between $Ni^{2+}$ and FLU, a different form of chemical interaction was observed compared with the interaction by other metals. The change in the absorption spectra as a result of the addition of a quencher provided information on static quenching. With all these metals, the static quenching constant of FLU was larger than those of OFL. The fluorescence of OFL was quite insensitive to both the dynamic and static quenching compared with FLU. This property of OFL can be explained by the twisted intramolecular charge transfer in the excited state.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
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• pp.114-114
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• 2012

Even though graphene was introduced with a great hope to replace silicon in future, small (or zero) band gap and poor stability have become major challenges in graphene electronics. Especially, rectification and amplification function which are the elemental functions of silicon device, is very difficult to implement without a bandgap. However, the graphene can still be used in many other device applications if the merits of graphene are creatively utilized. For example, graphene can be applied to almost any kind of substrate. Its conductivity can be varied in some degree using electric field, charge dipole, attached molecules, and many other ways. Recently, graphene stacked with ferroelectric materials or piezoelectric materials has been actively studied for various device applications. In this talk, various device applications of graphene using hybrid stack or novel device structure will be introduced and their prospect will be discussed.

• Journal of Electrical Engineering and Technology
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• 제6권6호
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• pp.799-805
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• 2011

This study presents three different magnetization models for identifying unknown magnetization of the ferromagnetic thin plate of a ship. First, the forward problem should be solved to accurately predict outboard magnetic fields due to the magnetization distribution estimated at a certain time. To achieve this, three different modeling methods for representing remanent magnetization (i.e., magnetic charge method, magnetic dipole array method, and magnetic moment method) were utilized. Material sensitivity formulas containing the first-order gradient information of an objective function were then adopted for an efficient search of an optimum magnetization distribution on the hull. The validity of the proposed methods was tested with a scale model ship, and field signals predicted from the three different models were thoroughly investigated with reference to the experimental data.

• Elastomers and Composites
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• 제31권5호
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• pp.335-340
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• 1996

In order to look into the internal structure and the properties in the silicone rubbers added reinforcing fillers; silica $additives(O{\sim}140phr)$, and to examine the behavior of charged particles, the properties of thermally stimulated current(TSC) and X-Ray diffraction are investigated, respectively. And then, from the TSC which are formed by applying the electric field of $2{\sim}5kV/mm$ to specimen at the temperature range from -150 to $260^{\circ}C$, the results are as follwing: In the case of non-filled specimen, four peaks of ${\delta},\;{\gamma},\;{\beta}\;and\;{\alpha}$ are obtained at the temperature of $-120^{\circ}C,\;-60^{\circ}C,\;20^{\circ}C\;and\;130^{\circ}C$, respectively and the case of filled specimen, three peaks of ${\delta},\;{\alpha}_2\;and\;{\alpha}_1$ are observed at the temperature of $-120^{\circ}C,\;80^{\circ}C\;and\;130^{\circ}C$, respectively. The origins of these peaks are that, the ${\delta}$ peak seems to the result from the contribution of side chain methyl radical, and the ${\gamma}$ peak from the depolarization of space charge polarization owing to be added impurity during manufacturing specimens, and the ${\beta}$ peak from the orientation of $Si-CH_3$ dipole, and the ${\alpha}_2$ near the temperature of $80^{\circ}C$ from hydroxyl in carboxylic radical, and finally, the ${\alpha}_1$ peak near the temperature of $130^{\circ}C$ from carboxyl acid that is formed by the thermal oxidation of high temperature.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제40회 동계학술대회 초록집
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• pp.299-299
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• 2011

A dipolar interlayer can cause dramatic changes in the device characteristics of organic field-effect transistors (OFETs) or photovoltaics. A shift in the threshold voltage, for example, has been observed in an OFET where the organic semiconductor active layer is deposited on SiO2 modified with a dipolar monolayer. Dipolar molecules can similarly be used to change the current-voltage characteristics of organic-inorganic heterojunctions. We have conducted a series of experiments in which different molecular linkages are placed between a pentacene thin film and a silicon substrate. Interface modifications with different linkages allow us to predict and examine the nature of tunneling through pentacene on modified Si surfaces with different dipole moment. The molecular-scale structure and the tunneling properties of pentacene thin films on modified Si (001) with nitrobenzene and styrene were examined using scanning tunneling spectroscopy. Electronic interfaces using organic surface dipoles can be used to control the band lineups of a semiconductor at organic/inorganic interfaces. Our results can provide insights into the charge transport characteristics of organic thin films at electronic interfaces.

• 대한화학회지
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• 제36권1호
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• pp.38-43
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• 1992

치환 스틸벤 계열에 대해 HMO법으로 Hammett치환기 상수를 해석하였다. 이 계열에서 치환기 상수에 대한 유도효과와 공명효과의 기여를 양자화학적 지수로 취하여 계산한 이론값이 Hammett 치환기 상수 ${\sigma}_p$와 병행성이 있음을 알았으며 이 이론값으로 치환 스틸벤의 쌍극자능륙에 미치는 치환기 효과를 설명할 수 있었다. 아울러 이 화합물의 전자전이에 대한 최대 흡수파장$({\lambda}_{max})$은 HOMO와 LUMO 에너지의 창에 의존됨이 확인되었다.