• Title/Summary/Keyword: Intermolecular

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Vibrational Relaxation and Bond Dissociation of Excited Methylpyrazine in the Collision with HF

  • Oh, Hee-Gyun;Ree, Jong-Baik;Lee, Sang-Kwon;Kim, Yoo-Hang
    • Bulletin of the Korean Chemical Society
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    • v.27 no.10
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    • pp.1641-1647
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    • 2006
  • Vibrational relaxation and competitive C-$H_{methyl}$ and C-$H_{ring}$ bond dissociations in vibrationally excited methylpyrazine in the collision with HF have been studied by use of classical trajectory procedures. The energy lost by the vibrationally excited methylpyrazine upon collision is not large and it increases slowly with increasing total vibrational energy content between 20,000 and 45,000 $cm^{-1}$. Above the energy content of 45,000 $cm^{-1}$, however, energy loss decreases. The temperature dependence of energy loss is negligible between 200 and 400 K, but above 45,000 $cm^{-1}$ the energy loss increases as the temperature is raised. Energy transfer to or from the excited methyl C-H bond occurs in strong collisions with HF, that is, relatively large amount of translational energy is transferred in a single step. On the other hand, energy transfer to the ring C-H bond occurs in a series of small steps. When the total energy content ET of methylpyrazine is sufficiently high, either or both C-H bonds can dissociate. The C-$H_{methyl}$ dissociation probability is higher than the C-$H_{ring}$ dissociation probability. The dissociation of the ring C-H bond is not the result of the direct intermolecular energy flow from the direct collision between the ring C-H and HF but the result of the intramolecular flow of energy from the methyl group to the ring C-H stretch.

Effect of Low-temperature Thermal Treatment on Degree of Crystallinity of a Low Density Polyethylene: $^{1}H$ Nuclear Magnetic Resonance Study (저밀도 폴리에틸렌의 결정화도에 대한 저온 열처리 효과: 수소 핵자기공명 연구)

  • Lee, Chang-Hoon;Choi, Jae-Kon
    • Elastomers and Composites
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    • v.43 no.4
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    • pp.259-263
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    • 2008
  • An effect of low-temperature long-term thermal degradation on a degree of crystallinity of a low density polyethylene (LDPE) was investigated by using $^1H$ solid state nuclear magnetic resonance (SSNMR). Firstly, the long-term thermal treatment makes a color of LDPE from white to pale yellow which is indicative of thermal oxidation. Secondly, it makes the $^{1}H$ NMR spin-spin and spin-lattice relaxation times ($T_1$) to be long. Lastly, the degree of crystallinity of the semicrystalline aged-LDPE also decreases with thermal treatment. Above all, the $T_1$ increase is envisaged to be due to either a decrease of the amorphous regions governing overall spin-lattice relaxation mechanism in LDPEs or a dynamically restricted motion of specific molecular motions by intermolecular hydrogen bonding or crosslinking. However, since the decrease of crystallinity implies an increase of amorphous regions by the thermal treatment, the former case is contrast to our results. Accordingly, we concluded that the latter effect is responsible for the $T_1$ increase.

Analysis of the Proteins Accumulated During Cold Treatment in Intermolecular Space of Barley (저온에서 세포밖 공간에 축적되는 보리 단백질)

  • 황철호
    • Korean Journal of Plant Tissue Culture
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    • v.22 no.1
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    • pp.15-28
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    • 1995
  • In order to identify an antifreeze proteins responsible for freeze-tolerance in barley the proteins accumulated in extracellular space during cold acclimination were extracted and analyzed. After 42 days cold treatment there were several proteins sized of 70, 21, 16, 14 KDa increased in their amount accumulated in extracellular space. In addition, continuously sized polypeptides smaller than 10 KDa were found to be increased in their amount as cold treatment prolongs. Since these proteins were not detectable in total leaf protein extract it appears that the procedure used to isolate extracellular extract was valid. A similarity in profile of the extracellular proteins isolated from barley and rye may indicate a possibility for these proteins to be an antifreeze proteins since the same extract from rye was reported to show an antifreezing activity.

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Molecular Interactions of Soaked Nonionic Dye in Ionomer Films (아이오노머 필름에 흡수된 비이온계 염료의 분자간 상호작용에 관한 연구)

  • ;;;;;;Forrest A. Landis;Robert B. Moore
    • Polymer(Korea)
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    • v.25 no.5
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    • pp.671-678
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    • 2001
  • Sodium and zinc salts of poly(ethyaene-co-methacrylic acid) ionomers consist of three phases, i.e. ionic aggregates, amorphous, and crystalline phases. Dye molecules after soaked from the methanol solution are located near the amorphous phase or ionic aggregates within ionomer films. Depending on the location of the molecules in the ionomer film, they are under influence of dispersion forces (ethylene parts), polar forces (acid parts). and ionic dipole (ionic aggregates) interactions. The UV/Vis absorption peak of Nile Red under the dispersion force is found at near 500 nm, for the dye under the polar force effect 525 nm, and 550 and 610 nm for the dyes under $Na^+$ and $Zn^{2+}$ ionization effects, respectively. Since the divalent $Zn^{2+}$ ion has larger ionic dipole than the monovalent $Na^+$ ion, the larger red-shift of the absorption band due to the ionic dipole interaction is observed for $Zn^{2+}$ counter ion.

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Charge-Carrier Transport Properties and Fluorescence Behaviors Depending on Charge Transport Complex of Organic Photoconductor Containing Liquid Crystal (액정을 함유하는 유기 광도점체의 전하 수송착체에 의한 Charge-Carrier수송 특성과 형광거동)

  • Lee, Bong; Jung, Sung-Young;Moon, Doo-Dyung
    • Polymer(Korea)
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    • v.25 no.5
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    • pp.719-727
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    • 2001
  • Recently it was found that the charge carrier transport properties are significantly enhanced due to effective intermolecular $\pi$-orbital overlapping and low disorder of hopping sites caused by self-organization of liquid crystal molecules. In this study, the xerographic properties of a double-layer photoconductor doped with nematic liquid crystal, 4-pentyl-4'-cyanoterphenyl (5CT), as a charge-carrier transport material to enhance the charge-tarrier mobility were investigated. From the results of measured surface voltage properties for the photoconductor doped with various concentrations of liquid crystal, 5CT, the initial voltage was found to increase with the concentration of 5CT and the dark decay decreased with the concentration of 5CT. The highest sensitivity was obtained at a specific concentration, 40wt% 5CT. The fluorescence behavior of the carrier transport layer (CTL) was also investigated. It was found that the charge-carrier transport properties of the organic photoconductor depend on the charge-carrier transport properties of the complex. The TNF : 5CT (40 wt%) and OXD : 5CT (40 wt%)samples showed the highest sensitivity because the greatest charge transport complex was termed between the charge-carrier transport materials in these samples.

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Temperature and Coverage Dependent Quasi-reversible Two-photon Photoemission of 1-phenyl-1-propyne on Cu(111)

  • Sohn, Young-Ku;Wei, Wei;Huang, Weixin;White, John M.
    • Bulletin of the Korean Chemical Society
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    • v.32 no.6
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    • pp.1980-1984
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    • 2011
  • A temperature- and coverage-dependant quasi-reversible change in two-photon photoemission (2PPE) of chemisorbed 1-phenyl-1-propyne (PP) on Cu(111) is reported. For PP on Cu(111) at 300 K probed at a photon energy of 4.13 eV, two broad peaks of comparable intensity show final state energies of 7.25 and 7.75 eV above the Fermi level. The former peak could be assigned to the first image potential state (IS, n = 1) and/or unoccupied molecular orbital (UMO), located at 3.1 eV above the Fermi level. The latter is plausibly attributed to a mix of unoccupied higher-order IS (and/or UMO) and occupied surface state (SS) of Cu(111). With decreasing the temperature, the former 2PPE peak shows a shift in position by about 0.2 eV, and the latter exhibits a dramatic increase in intensity. In the system, intermolecular interactions (and/or order-disorder transition) of PP and substrate lattice temperature may play a significant role in change in photoexcitation lifetime (or excitation cross-section), and the unoccupied molecular orbital (UMO)-metal (IS) charge transfer coupling. Our unique 2PPE results provide a deeper insight for understanding photoexcitation charge transfer with temperature in an organic molecule/metal system.

Self-healing Engineering Materials: I. Organic Materials (자기치유 공학재료: I. 유기 재료)

  • Choi, Eun-Ji;Wang, Jing;Yoon, Ji-Hwan;Shim, Sang-Eun;Yun, Ju-Ho;Kim, Il
    • Clean Technology
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    • v.17 no.1
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    • pp.1-12
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    • 2011
  • Scientists and engineers have altered the properties of materials such as metals, alloys, polymers, ceramics, and so on, to suit the ever changing needs of our society. Man-made engineering materials generally demonstrate excellent mechanical properties, which often tar exceed those of natural materials. However, all such engineering materials lack the ability of self-healing, i.e. the ability to remove or neutralize microcracks without intentional human interaction. The damage management paradigm observed in nature can be reproduced successfully in man-made engineering materials, provided the intrinsic character of the various types of engineering materials is taken into account. Various self-healing ptotocols that can be applied for the organic materials such as polymers, ionomers and composites can be developed by utilizing suitable chemical reactions and physical intermolecular interactions.

Single Interaction Force of Biomolecules Measured with Picoforce AFM (원자 힘 현미경을 이용한 단일 생분자 힘 측정)

  • Jung, Yu-Jin;Park, Joon-Won
    • Journal of the Korean Vacuum Society
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    • v.16 no.1
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    • pp.52-57
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    • 2007
  • The interaction force between biomolecules(DNA-DNA, antigen-antibody, ligand-receptor, protein-protein) defines not only biomolecular function, but also their mechanical properties and hence bio-sensor. Atomic force microscopy(AFM) is nowadays frequently applied to determine interaction forces between biological molecules and biomolecular force measurements, obtained for example using AFM can provide valuable molecular-level information on the interactions between biomolecules. A proper modification of an AFM tip and/or a substrate with biomolecules permits the direct measurement of intermolecular interactions, such as DNA-DNA, protein-protein, and ligand-receptor, etc. and a microcantilever-based sensor appeared as a promising approach for ultra sensitive detection of biomolecular interactions.

Synthesis of Transglucosylated Xylitol Using Cyclodextrin Glucanotransferase and Its Stimulating Effect on the Growth of Bifidobacterium. (Cyclodextrin Glucanotransferase를 이용한 당전이 Xylitol의 합성과 비피더스균 생육증식 효과)

  • 김태권;박동찬;이용현
    • Microbiology and Biotechnology Letters
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    • v.26 no.5
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    • pp.442-449
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    • 1998
  • Several transglucosylated xylitols were synthesized using intermolecular transglucosylation reaction of cyclodextrin glucanotransferase (CGTase) and their bifidogenic effects were investigated. The CGTase from Thermoanaerobacter sp. showed the highest transglycosylation activity on xylitol compared to those obtained from other strains. Extruded starch was identified to be the most suitable glucosyl donor for transglucosylation reaction on xylitol molecule by CGTase. The optimum reaction conditions for transglucosylation were also studied using extruded starch as a glucosyl donor. The transglucosylated xylitols were purified by activated carbon column chromatography with ethanol gradient elution from 0 to 18%, and their chemical structures were analyzed by fast atom bombardment mass spectrometer, $\^$13/C-nuclear magnetic resonance spectrometer, and enzyme digestion method. Two transglucosylated xylitol, F-I and F-II, which had one or two glucose molecules attached to maternal xylitol by ${\alpha}$-1,4-linkage, were mainly obtained. F-II showed increased stimulation effect on the growth of Bifidobacterium breve compared to xylitol, indicating the possibility utilized as a new functional alternative sweetners having bifidogenic effects.

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Filler-Elastomer Interactions. 8. Influence of Fluorinated Nanoscaled Silicas on Mechanical Interfacial Properties and Thermal Stabilities of Polyurethane Matrix Composites (충전제-탄성체 상호작용. 8. 불소 처리한 나노크기의 실리카가 폴리우레탄 기지 복합재료의 기계적 계면특성 및 열안정성에 미치는 영향)

  • 박수진;조기숙
    • Polymer(Korea)
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    • v.27 no.2
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    • pp.91-97
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    • 2003
  • The effect of fluorination of nanoscaled silicas on mechanical interfacial properties and thermal stabilities of the silica/polyurethane composites was investigated. The surface properties of the silica were studied in X-ray photoelectron spectroscopy and contact angle measurements. Their mechanical interfacial properties and thermal stabilities of the composites were characterized by tearing energy and decomposition activation energy, respectively. As experimental results, the London dispersive component of surface free energy and fluorine functional groups of silica surfaces were increased as a function of fluorination temperature resulting in improving the trearing energy ($G_{IIIC}$) of the composites. Also, the thermal stabilities of the composites were increased as the treatment temperature increases. These results could be explained that the fluorine functional groups on silica surfaces played an important role in improving the intermolecular interactions at interfaces between silicas and polyurethane matrix in a composite system.