• Title/Summary/Keyword: Molecular Characteristics

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Adsorption Characteristics and Structure of 4,4'-Bis(mercaptomethyl)biphenyl on Silver by Surface-enhanced Raman Scattering and Density Functional Theory Calculations

  • Eom, So Young;Lee, Yu Ran;Kim, Hong Lae;Kwon, Chan Ho
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.875-880
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    • 2014
  • Adsorption of 4,4'-bis(mercaptomethyl)biphenyl (44BMBP) on silver nanoparticles has been investigated by surface-enhanced Raman scattering (SERS) spectroscopy. In addition, the Raman spectra of 44BMBP in solid state and in basic condition have been obtained for comparative study to elicit the characteristics of adsorption. The observed Raman and SERS spectra were analyzed comparing with the normal modes and vibrational frequencies from density functional theory (DFT) calculations performed for the feasible structures of 44BMBP molecule. On the basis of excellent agreement between the calculated and the experimental results, the molecule is found to have both the cis- and trans-forms for the mercaptomethyl groups in the solid state as well as in the basic condition. In contrast, the molecule is found to be chemisorbed on the silver surface by forming two Ag-S linkages only in the cis-form but not in the trans-form due to the steric interruption, which indicates the parallel orientation of molecules on the surface. Particularly, the spectral features in the SERS spectra such as the absence of the C-H stretching band and enhancement for the out-of-plane skeletal modes are confirmatory for the parallel geometry through ${\pi}$ interaction between the phenyl rings and the metal surface, based on the electromagnetic surface selection rule.

Molecular Phylogenetic Studies of Korean Calystegia R.Br. Based on ITS and psbA-trnH Sequences (ITS와 psbA-trnH 염기서열에 의한 한국산 메꽃속(Calystegia R.Br.)의 분류학적 연구)

  • Kim, SangJun;Park, SeonJoo
    • Korean Journal of Plant Taxonomy
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    • v.41 no.4
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    • pp.338-344
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    • 2011
  • Molecular phylogenetic studies were conducted to evaluate evolutionary trends, relationships and species identities among four species, one variety and one outgroup of the Korean Genus Calystegia. The important characteristics of Calystegia are the shape of the lamina, the length ofthe corolla and the presence of hair. However, many variations were observed as regards the characteristics of the leaf, making true identification difficult. In molecular phylogenetic studies, C. soldanella formed one clade, and it was located mostly in the base. C. hederacea and C. sepium did not form an independent clade in their ITS regions and psbA-trnH regions, and this investigation could not confirm a relationship. Therefore, a relationship between these two species is not sufficiently supported by these markers (ITS and psbA-trnH). Consequently, this research should be achieved through many samples and markers. C. sepium var. japonica and C. dahurica are closely related.

High Power Characteristics of Amorphous $MnO_2$ Electrode by Variation of Electrode Thickness (비정질 $MnO_2$ 전극의 전극두께에 따른 고출력 특성 변화)

  • Seong W. K.;Kim E. S.;Lee H. Y.;Kim S. W.
    • Journal of the Korean Electrochemical Society
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    • v.3 no.4
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    • pp.235-240
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    • 2000
  • Screen-printing and doctor blade method were investigated and proposed as an electrode coating process for high power capacitor. CV measured from the amorphous $MnO_2$ electrode prepared by screen-printing shows closer to ideal capacitor characteristics. Specific capacitances calculated from CVs with potential scan rate of 50mV/s were 5.8, 81.8, and 172.0 F/g for electrode thickness of $140{\mu}m,\;24{\mu}m,\; 3{\mu}m$, respectively. Assumed that utilization of active $MnO_2$ in electrode of screen-printing is $100\%$, those were $3.4\%$ in one of paste method and $47.6\%$ in one of doctor blade method. The screen-printing can be good technique to coat thin film on current collector for high power application.

Characterization of Thin Liquid Films Using Molecular Dynamics Simulation

  • Lee, Jaeil;Park, Seungho;Ohmyoung Kwon;Park, Young-Ki;Lee, Joon-Sik
    • Journal of Mechanical Science and Technology
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    • v.16 no.11
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    • pp.1477-1484
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    • 2002
  • Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interracial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however, does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.

The beating effect of high crystalized nonwood fibers treated with low-molecular weighted waste celulase in the papermaking processes (Cellulase생산공정중 발생되는 저분자량 분포도의 폐효소류 처리가 고결정화된 배목재 섬유소의 고해에 미치는 영향)

  • 김병현;신종순;강영립;박병권;이성구
    • Journal of the Korean Graphic Arts Communication Society
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    • v.18 no.1
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    • pp.121-139
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    • 2000
  • This study is to test the possibility of applying the low-molecular weighted waste cellulase, which is produced in the process of cellulase production, to paper making. After experimenting on high-crystallized non-wood fibers with beating catalyst. I got the result that the condition for the optimal effect is temperature 40~6$0^{\circ}C$, the time 90min to 120min, pH 5.0 to 6.0, the enzyme contents 0.3% and that the effect of beating such as slight reduction of fiver viscosity, increase of water retention value(WRV) and shortening of fiber length was increased with waste cellulase. Through this process, the density, folding endurance, tensile strength and burst strength of paper was remarkably increased, which is inferred to result from the increased flexibility of fiber by individual characteristics of non-wood fiber, which was high-crystallized by penetrated low-molecular weight cellulases in the fiber.

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