• 한국자기학회지
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• 제16권3호
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• pp.168-172
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• 2006

졸-겔(sol-gel) 방법을 이용하여 제작된 산소결핍(oxygen vacancy)들을 내포하는 Ni 도핑된 루타일(rutile) 구조의 $TiO_{2-{\delta}}$ 박막들에 대하여 그 자기적 성질 및 관련된 전자구조적 성질에 대하여 조사분석 하였다. $TiO_{2-{\delta}}$:Ni 박막들에서 상온 강자성이 관측되었으며 Ni 도핑량이 증가할수록 포화 자화량($M_s$)이 점차 감소하여 6 at% 이상에서 일정한 값으로 유지되었다. 이와 같은 Ni 도핑량 6 at% 이하에서의 강자성 현상은 산소결핍 자리에 속박된 전자를 매개로 그 주위에 존재하는 불순물 이온들의 자기 능률들이 강자성 정렬을 이루게 되는 자기 폴라론(magnetic polaron)의 형성에 의한 것으로 해석된다. 소량의 Ni 도핑 시 각 이온당 최대 $3.7{\mu}_B/Ni$의 큰 $M_s$ 값이 나타났으며 6 at% 이상에서의 일정한 $M_s$ 값은 Ni cluster 형성에 의한 것으로 해석된다. 이와 같은 Ni cluster의 존재는 시료들에 대한 Hall 측정 결과 나타난 Ni 도핑량 증가에 따르는 p-n 전도성 전이를 설명하여 줄 수 있다.

• 한국재료학회:학술대회논문집
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• 한국재료학회 1994년도 추계 학술발표 강연 및 논문 개요집
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• pp.1-1
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• 1994

;The electronic state calculations for various types of ceramic materials have beell performed by the use of $DV-X\;{\alpha}$ cluster method. The molecular orbital levels and wave functions for model clusters have been computed to study the electronic properties ami chemical bonding of the ceramics. For ${\beta}-sialon(Si_{6-z}Al_zO_zN_{8-z})$ which is a high temperature structural material based on ${\beta}-Si_3N_4$, we have made model cluster calculations to estimate the strength of chemical bonding between atoms by the Mulliken population analysis. It is found that the covalent bonding between Si and N atoms is very strong in pure ${\beta}-Si_3N_4$, but the covalency around solute atom is considerably weakened when Si atom is substituted by AI. This tendency is enhanced by an additional substitution of oxygen atom for N. The result calculated can well explain the experimental data of changes in mechanical properties such as the reductions of Young's modulus and Vickers hardness with increment of z-value in ${\beta}-sialon$. Various model clusters for transition metal oxides which show many interesting physical and chemical properties have also been calculated. High-valent perovskite-type iron oxides EMFe0_3E(M=Ca and Sr) possess very interesting magnetic and chemical properties. In these oxides, iron exists as $Fe^{4+}$ state, but the experimental measurement of Mossba~er effect suggests that disproportionation $2Fe^{4+}=Fe^{3+}+Fe^{5+}$ takes place for $CaFe0_3$ at low temperatures. The model cluster calculations for these compounds indicated the existence of considerably strong covalent bonding of Fe-O. The calculations of hyperfine interaction at iron neucleus show very good agreement with the experimental Mossbauer measurements. The result calculated also implies that the disproportionation reaction is strongly possible by assuming the quenching of breathing phonon mode at low temperatures.tures.

• Bulletin of the Korean Chemical Society
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• 제30권11호
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• pp.2595-2602
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• 2009

Hexamer cluster of N,N-dimethylformamide(DMF) based on the crystal structure was investigated for the equilibrium structure, the stabilization energies, and the vibrational properties in the density functional force field. The geometry (point group $C_i$) of fully optimized hexamer clustered DMF shows quite close similarity to the crystal structure weakly intermolecular hydrogen bonded each other. Stretching force constants for intermolecular hydrogen bonded methyl and formyl hydrogen atoms with nearby oxygen atom, methyl C–H${\cdots}$O and formyl C–H${\cdots}$O, were obtained in 0.055 $\sim$ 0.11 and $\sim$ 0.081 mdyn/$\AA$, respectively. In-plane bending force constants for hydrogen bonded methyl hydrogen atoms were in 0.25 $\sim$ 0.33, and for formyl hydrogen $\sim$ 0.55 mdynÅ. Torsion force constants through hydrogen bonding for methyl hydrogen atoms were in 0.038 $\sim$ 0.089, and for formyl hydrogen atom $\sim$ 0.095 mdynÅ. Calculated Raman and infrared spectral features of single and hexamer cluster represent well the experimental spectra of DMF obtained in the liquid state. Noncoincidence between IR and Raman frequency positions of stretching C=O, formyl C–H and other several modes was interpreted in terms of the intermolecular vibrational coupling in the condensed phase.

• 한국환경보건학회지
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• 제42권4호
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• pp.280-292
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• 2016

Objectives: The objective of this study was to build COD regression models for the Han River and evaluate water quality. Methods: Water quality data sets for the dry season (as of January) during a four-year period (2012-2015) were collected from the database of the Han River automatic water quality monitoring stations. Statistical techniques, including combined genetic algorithm-multiple linear regression (GA-MLR) were used to build five-descriptor COD models. Multivariate statistical techniques such as principal component analysis (PCA) and cluster analysis (CA) are useful tools for extracting meaningful information. Results: The $r^2$ of the best COD models provided significant high values (> 0.8) between 2012 and 2015. Total organic carbon (TOC) was a surrogate indicator for COD (as COD/TOC) with high reliability ($r^2=0.63$ in 2012, $r^2=0.75$ for 2013, $r^2=0.79$ for 2014 and $r^2=0.85$ for 2015). The ratios of COD/TOC were calculated as 2.08 in 2012, 1.79 in 2013, 1.52 and 1.45 in 2015, indicating that biodegradability in the water body of the Han River was being sustained, thereby further improving water quality. The BOD/COD ratio supported these findings. The cluster analysis revealed higher annual levels of microorganisms and phosphorous at stations along the Hangang-Seoul and Hantangang areas. Nevertheless, the overall water quality over the last four years showed an observable trend toward continuous improvement. These findings also suggest that non-point pollution control strategies should consider the influence of upstreams and downstreams to protect water quality in the Han River. Conclusion: This data analysis procedure provided an efficient and comprehensive tool to interpret complex water quality data matrices. Results from a trend analysis provided much important information about sources and parameters for Han River water quality management.

• 한국진공학회:학술대회논문집
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• 한국진공학회 1998년도 제14회 학술발표회 논문개요집
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• pp.87-89
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• 1998

The Y2O3 films on Si(111) was grown by ionized cluster beam depposition (ICBD) in ultrahigh-vacuum (UHV). The acceleration voltage and oxygen ppartial ppressure were fixed at 5 kV and 2$\times$10-5 Torr resppectively. The substrate tempperature was varied from 10$0^{\circ}C$ to $600^{\circ}C$ in order to find the deppendence of crystallinity of Y2O3 films on the substrate tempperature. The crystallinity of the films with the substrate tempperature studied using x-ray diffraction (XRD) and Rutherford backscattering sppectroscoppy (RES). Surface crystallinity and surface morpphology of the films were also investigated using the reflection high-energy electron diffraction (RHEED) and atomic force microscoppe (AFM) resppectively. The films grown at the substrate tempperature below 50$0^{\circ}C$showed the ppoly-crystalline structure of oxygen deficiency. On the contrary the single-crystalline structure was obtained at the substrate tempperature over 50$0^{\circ}C$ and the stochimetry was gradually matched as increasing the substrate tempperature. The surface morpphology showed the increase of the surface roughness as the substrate tempperature was increased upp to 50$0^{\circ}C$ The crystallinity of the film was not good and the minimum channeling yield $\chi$min was measured at 0.91 The stochiometric and high crystallinine film (surface $\chi$min=0.25) was obtained as the substrate tempperature increased upp to 60 $0^{\circ}C$ which indicate the tempperature was sufficient to migrate the depposited atom.

• Journal of Ginseng Research
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• 제41권3호
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• pp.298-306
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• 2017

Background: Compound K (CK) is a bioactive derivative of ginsenoside Rb1 in Panax ginseng (Korean ginseng). Its biological and pharmacological activities have been studied in various disease conditions, although its immunomodulatory role in innate immunity mediated by monocytes/macrophages has been poorly understood. In this study, we aimed to elucidate the regulatory role of CK on cellular events mediated by monocytes and macrophages in innate immune responses. Methods: The immunomodulatory role of CK was explored by various immunoassays including cell-cell adhesion, fibronectin adhesion, cell migration, phagocytic uptake, costimulatory molecules, reactive oxygen species production, luciferase activity, and by the measurement of mRNA levels of proinflammatory genes. Results: Compound K induced cell cluster formation through cell-cell adhesion, cell migration, and phagocytic activity, but it suppressed cell-tissue interactions in U937 and RAW264.7 cells. Compound K also upregulated the surface expression of the cell adhesion molecule cluster of differentiation (CD) 43 (CD43) and costimulatory molecules CD69, CD80, and CD86, but it downregulated the expression of monocyte differentiation marker CD82 in RAW264.7 cells. Moreover, CK induced the release of reactive oxygen species and induced messenger RNA expression of proinflammatory genes, inducible nitric oxide synthase, and tumor necrosis factor-alpha by enhancing the nuclear translocation and transcriptional activities of nuclear factor kappa-B and activator protein-1. Conclusion: Our results suggest that CK has an immunomodulatory role in innate immune responses through regulating various cellular events mediated by monocytes and macrophages.

• Bulletin of the Korean Chemical Society
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• 제10권6호
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• pp.504-509
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• 1989

The effect of oxygen-deficiency on the charge distributions and orbital energies for small copper oxide clusters representing the superconducting materials $YBa_2Cu_3O_x (6{\leq}x{\leq}7)$ were investigated by the extended Huckel molecular orbital (EHMO) method with the tight-binding model. Our calculations show +3 oxidation state of Cu(1) in the $CuO_3$ chain and +2 or +1 of Cu(2) in the $CuO_2$ layers for $YBa_2Cu_3O_7$ with the nominal charge of $Cu_3$ = +7 (or +5), while for $YBa_2Cu_3O_6$ +1 oxidation state of Cu(1) and +3 (or +2) of Cu(2) in the $CuO_2$ layers with the nominal charge of $Cu_3$ = +7 (or +5). For $Cu_3O_{12}$ cluster representing $YBa_2Cu_3O_7$ with the nominal charge of $Cu_3$ = +7 the Cu(2) $d_{{x^2}-{y^2}}$ orbitals in the $CuO_2$ layers is a typical Jahn-Teller $d^9$ system with the partial hole and the Cu(1) $d_{{_z2}-{_y2}}$ orbital in the $CuO_3$ chain contains hole occupancy. For $Cu_3O_{10}$ cluster representing $YBa_2Cu_3O_6$ with the nominal charge of Cu = +5 the orbital character of the highest partially occupied MO (HPOMO) and the lowest completely unoccupied MO (LCUMO) of $Cu_3O_{12}$ representing $YBa_2Cu_3O_7$ with the nominal charge of $Cu_3$ = +7 is reversed, and the character of Cu(1) $d{{x^2}-{y^2}}$ orbital of LCUMO of the $Cu_3O_{12} $cluster is vanished. It is suggested that the local crystal field environment of Cu(1) by the oxygens in the Cu(1) chain may play a vital role in conductivity and superconductivity, either alone or through cooperative electronic coupling with the Cu(2) layers in $YBa_2Cu_3O_7.$.

• Journal of Photoscience
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• 제3권2호
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• pp.77-83
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• 1996

Photosensitization via the singlet oxygen ($^1O_2$) mechanism by the binuclear iron-sulfur center, denoted as [2Fe-2S], was investigated, using a highly purified ferredoxin (Fd) preparation from spinach leaves. Since the apoprotein of Fd contains a good number of amino acid residues that are readily reactive with $^1O_2$ and thus interfere with the detection of $^1O_2$ generated from [2Fe-2S], we attempted to deprive the $^1O_2$-sensitive residues of their $^1O_2$-scavenging capacity as much as possible by treating Fd with rose bengal plus 550 nm monochromatic light and thereby photooxidatively degrading these residues. The photochemically modified Fd was found to keep the structural integrity of its Fe-S group virtually unaffected by the treatment. By employing chemical trap method for measurement and examining the kinetic effects of azide and deuterium oxide on the reactions of $^1O_2$ with various trap compounds, we were able to demonstrate that [2Fe-2S] indeed acts as a photosensitizer via $^1O_2$. Further, the minimum quantum yield of $^1O_2$ production by [2Fe-2S] was estimated to be 0.0047.

• 한국표면공학회지
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• 제39권5호
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• pp.215-222
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• 2006

The passivity behavior of copper anode containing impurities in copper sulfate solution for electrorefining process was studied at several different levels of impurities such as As, Sb, Bi and Pb. The passivity behavior was investigated by electrochemical techniques (galvanostatic, potentiodynamic and cyclic voltammetry tests) and surface analysis (optical microscopy, electron probe microanalysis, scanning electron microscopy). The results were that arsenic, antimony inhibited passivation and bismuth accelerated it and lead containing anode showed different passivity behavior from above anodes. The improved passivity characteristics could be explained by decrease in oxygen content in passivity film which resulted from a reaction among the impurities, oxygen and copper in the anode. The SEM image revealed that arsenic or antimony containing anode exhibited a porous passivity film and bismuth containing anode showed the compact passivity film and lead containing anode had loose passivity film on anode.

• 한국포장학회지
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• 제23권3호
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• pp.151-162
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• 2017

본 연구의 목적은 세절된 생울금의 포장방법에 따른 저장기간 중 품질변화를 관찰하고자 수행되어졌다. 세절된 생울금은 가스배출밸브(DVP), 이산화탄소 흡수제(CAP), 미세천공필름(MPP) 등을 적용한 포장방법을 이용하여 포장되어졌으며 $4^{\circ}C$와 $23^{\circ}C$에서 15일간 각각 저장하면서 품질의 변화를 관찰하였다. 이때 생울금의 품질변화 관찰을 위한 지표로써 중량감소, CIE $L^*a^*b$ 색차와, 포장내부의 가스조성변화, 커큐민 함량, 세절 생울금의 경도 등을 조사하였다. DVP는 생울금의 호흡에 의해 발생한 이산화탄소의 외부배출에 효과적이지 못하였다. 또한 MPP는 생성된 가스의 외부배출에는 적절하였으나 천공된 구멍으로 외부의 산소가 다량 유입되어 빠른 갈변현상과 짓무름 현상이 발생하였다. 내부에 생성된 탄산가스의 제거를 위해 이산화탄소 흡수제가 봉입된 CAP는 갈변과 생성된 이산화탄소에 의한 포장의 팽창 현상의 억제 및 중량감소를 최소화할 수 있는 포장방법으로 가장 효과적인 것으로 확인되었다.