• Title/Summary/Keyword: Hydrogen Bonding

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The Structural Effects of Acidic Comonomers in pH/Thermal Sensitive Copolymer Based on N-Isopropylacrylamide on Their LCST Behavior (pH/온도 민감성 N-Isopropylacrylamide계 공중합체의 LCST거동에 대한 산성 공단량체의 구조적 영향)

  • 조항규;김병수;노시태
    • Polymer(Korea)
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    • v.25 no.2
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    • pp.186-198
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    • 2001
  • pH/Thermal sensitive copolymers with the various acidic comonomer compositions composed of N-isopropylacrylamide (NIPAAm) with acrylic acid (AAc), 2-acrylamido glycolic acid (AAmGAc), and 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS) were synthesized by free radial polymerization. In this study, to characterize the effect of different acidic comonomer composition and pH on the lower critical solution temperature (LCST) behaviors of their copolymers. phase transition experiments were performed with a thermo-optical analyzer (TOA). The phase transition temperature (T$^{p}$ ) of aqueous poly(NIPAAm-co-AAc) solution was lowered with increasing the ionization of the acid group in AAc, that is, the ionized state induced the electrostatic repulsion of ionized groups. In contrast, when AAmGAc was introduced into PNIPAAm, T$^{p}$ was little changed at pH 1-3, whereas climbed up significantly from pH 1 to pH 3. In the range of pH 6-10, Tp was lower than that of pH 3-5. This result was considered to be \"Ionic Screen Effect\" and this effect had been also observed in the case of poly(NIPAAm-co-AMPS).-co-AMPS).

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Fabrication and loss measurement of $P_2O_5-SiO_2$ optical waveguides on Si (Si을 기판으로한 $P_2O_5-SiO_2$ 광도파로의 제작 및 손실측정)

  • 이형종;임기건;정창섭;정환재;김진승
    • Korean Journal of Optics and Photonics
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    • v.3 no.4
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    • pp.258-265
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    • 1992
  • A low loss optical waveguide of $P_{2}O_{5}-SiO_{2}$on Si substrate is produced by using the chemical vapour deposition method of $SiO_2$ thin films used in Si technology. Propagation loss of the waveguide layer was 1.65 dB/cm as produced and reduced down to 0.1 dB/cm after heat treatment at $1100^{\circ}C$. By using laser lithography and reactive ion etching method $P_{2}O_{5}-SiO_{2}$ waveguide was produced and subsequently annealed at $1100^{\circ}C$.As a result of this annealing the shape of the waveguide core was changed from rectangular to semi-circular form, and the propagation loss was reduced as down to 0.03 dB/cm at 0.6328$\mu$m and 0.04dB/cm at 1.53$\mu$m. We think that the mechanism of the reduction in propagation loss during the heat treatment is the following: 1) The hydrogen bonding in waveguide layer, which causes absorption loss, is dissociated and diffused out. 2) The roughness of the interface and the micro-structure of the waveguide layer is removed. 3) The irregularities in the cross-sectional shape of the waveguide which was induced during the lithographic process were disappeared by flowing of the waveguide core.

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Molecular Dynamics Simulation Study for Ionic Strength Dependence of RNA-host factor Interaction in Staphylococcus aureus Hfq

  • Lazar, Prettina;Lee, Yun-O;Kim, Song-Mi;Chandrasekaran, Meganathan;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.31 no.6
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    • pp.1519-1526
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    • 2010
  • The behavior of peptide or protein solutes in saline aqueous solution is a fundamental topic in physical chemistry. Addition of ions can strongly alter the thermodynamic and physical properties of peptide molecules in solution. In order to study the effects of added ionic salts on protein conformation and dynamics, we have used the molecular dynamics (MD) simulations to investigate the behavior of Staphylococcus aureus Hfq protein under two different ionic concentrations: 0.1 M NaCl and 1.0 M NaCl in presence and absence of RNA (a hepta-oligoribonucleotide AU5G). Hfq, a global regulator of gene expression is highly conserved and abundant RNA-binding protein. It is already reported that in vivo the increase of ionic strength results in a drastic reduction of Hfq affinity for $Q{\beta}$ RNA and reduces the tendency of aggregation of Escherichia coli host factor hexamers. Our results revealed the crucial role of 0.1 M NaCl Hfq system on the bases with strong hydrogen bonding interactions and by stabilizing the aromatic stacking of Tyr42 residue of the adjacent subunits/monomers with the adenine and uridine nucleobases. An increase in RNA pore diameter and weakened compactness of the Hfq-RNA complex was clearly observed in 1.0 M NaCl Hfq system with bound RNA. Aggregation of monomers in Hfq and the interaction of Hfq with RNA are greatly affected due to the presence of high ionic strength. Higher the ionic concentration, weaker is the aggregation and interaction. Our results were compatible with the experimental data and this is the first theoretical report for the experimental study done in 1980 by Uhlenbeck group for the present system.

Cure Behaviors and Fracture Toughness of PEl/Difunctional Epoxy Blends (PEI/DGEBA 블랜드계의 열적특성 및 파괴인성)

  • Park, Soo-Jin;Jin, Sung-Yeol;Kaang, Shinyoung
    • Journal of Adhesion and Interface
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    • v.4 no.3
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    • pp.33-40
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    • 2003
  • In this work, diglycidyl ether of bisphenol A (DGEBA)/polyetherimide (PEI) blends were cured using 4,4-diaminodiphenyl methane (DDM). And the effects of addition of different PEI contents to neat DGEBA were investigated in the thermal properties and fracture toughness of the blends. The contents of contents of containing PEI were varied in 0, 2.5, 5, 7.5, and 10 phr. The cure activation energies ($E_a$) of the cured specimens were determined by Kissinger equation and the mechanical interfacial properties of the specimens were performed by critical stress intensity factor ($K_{IC}$). Also their surfaces were examined by using a scanning electron microscope (SEM) and the surface energetics of blends was determined by contact angles. As a result, $E_a$ and $K_{IC}$ showed maximum values in the 7.5 phr PEI. This result was interpreted in the increment of the network structure of DGEBA/PEI blends. Also, the surface energetics of the DGEBA/PEI blends showed a similar behavior with the results of $K_{IC}$. This was probably due to the improving of specific or polor component of the surface free energy of DGEBA/PEI blends, resulting in increasing the hydrogen bonding of the hydroxyl and imide groups of the blends.

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Swelling Behavior and Hydration Number of Langmuir-Blodgett Films of Metal-Palmitate Deposited on a Piezoelectric Quartz Crystal Plate (압전수정결정판 위에 적층된 금속-Palmitate Langmuir-Blodgett 막의 팽창거동 및 수화수)

  • Jong-Jae Chung;Byung-Il Seo;Hai-Won Lee
    • Journal of the Korean Chemical Society
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    • v.37 no.3
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    • pp.302-308
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    • 1993
  • Monolayers of calcium palmitate were deposited on a piezoelectric quartz crystal plate by the Langmuir-Blodgett(LB) technique, and it was found from frequency changes of the quartz crystal deposited LB films. The usual carbonyl absorbance at 1704 cm$^{-1}C$ was replaced by the split band in the 1540~1590 cm$^{-1}C$. The two absorptions at 1580 cm$^{-1}C$ and 1540 cm$^{-1}C$ were assigned to the antisymmetric stretching vibration of the calcium carboxylate group and the hydrated species due to the lowering carbonyl stretching frequency by hydrogen bonding$^1$ respectively. Besides, it was demonstrated by X-ray diffraction analysis. The swelling behaviour of LB films in water phase at 23$^{\circ}C$ was observed from the frequency change of the LB films deposited quartz crystal with time. Calcium palmitate LB films has been found to swell substantially in water without flaking, whereas hexadecanol LB films hardly swelled in water. Amount of swelling of calcium palmitate LB films was equivalent to 47 wt.${\%}$ of the dry LB films, which means that ca. 7 water molecules were incorporated per calcium palmitate amphiphile. Chemical structure of calcium palmitate LB film was estimated as [CH$_3$(CH$_2$)$_{14}$COO]$_2$Ca${\cdot}$XH$_2$O, and the hydration number was 1.

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Iodine Isotope Exchanges Between o-lodohippuric Acid and Radioiodide (오르토 요오도히퓨린산과 방사성요오드 이온간의 요오드 등위원소 교환반응)

  • Jae-Rok Kim;Ok-Doo Awh;Hyeon-Sook Koo;Kyung-Bae Park
    • Nuclear Engineering and Technology
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    • v.13 no.3
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    • pp.145-152
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    • 1981
  • Even though a lately reported method of high temperature exchange labelling of o-iodo-hippuric acid (Hippuran) in the absence of oxidizing agent was considered to be an attractive one, the exchange mechanism was somewhat unclear. In this study iodine isotope exchanges between o-iodohippuric acid (OIH) and radioiodide ($^{125}$ $I^{ }$) or between OIH and molecular radioiodine ($^{125}$ $I_2$) were carried out at two different temperatures. Rate constants and activation parameters were measured by applying a radio-paper chromatography technique. Since o-iodobenzoic acid is known as a by-product in the exchange labelling of OIH, data were also obtained for the OIB-iodide systems for comparison. The rate constant was increased in the order of OIB...$^{125}$ $I^{[-10]}$ >OIB...$^{125}$ $I_2$>OIH..$^{125}$ $I^{[-10]}$ >OIH...$^{125}$ $I_2$ and the activation parameters for OIH were generally larger than those for OIB :$\Delta$H$\neq$$_{OIH}$>$\Delta$H$\neq$$_{OIB}$, $\Delta$S$\neq$$_{OIH}$>$\Delta$S$\neq$$_{OIB}$. These results suggest that the mechanism of the high temperature exchange is predominantly nucleophilic even though some electrophilic character can also be involved depending upon reaction conditions. Such a fact may well be caused by a feasible formation of hydrogen bonding type transition state due probably to the ortho substituent effect of-CONHC $H_2$COOH. Thus, the high temperature exchange method is estimated to be quite effective for labelling Hippuran especially at a small research center where reducing agent-free $^{131}$ I is unavailable.ailable..

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Preparation of Nanostructures Using Layer-by-Layer Assembly and Applications (층상자기조립법을 이용한 나노구조체의 제조와 응용)

  • Cho, Jin-Han
    • Journal of the Korean Vacuum Society
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    • v.19 no.2
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    • pp.81-90
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    • 2010
  • We introduce a novel and versatile approach for preparing self-assembled nanoporous multilayered films with antireflective properties. Protonated polystyrene-block-poly (4-vinylpyrine) (PS-b-P4VP) and anionic polystyrene-block-poly (acrylic acid) (PS-b-PAA) block copolymer micelles (BCM) were used as building blocks for the layer-by-layer assembly of BCM multilayer films. BCM film growth is governed by electrostatic and hydrogen-bonding interactions between the oppositely BCMs. Both film porosity and film thickness are dependent upon the charge density of the micelles, with the porosity of the film controlled by the solution pH and the molecular weight (Mw) of the constituents. PS7K-b-P4VP28K/PS2K-b-PAA8K films prepared at pH 4 (for PS7K-b-P4VP28K) and pH 6 (for PS2K-b-PAA8K) are highly nanoporous and antireflective. In contrast, PS7K-b-P4VP28K/PS2K-b-PAA8K films assembled at pH 4/4 show a relatively dense surface morphology due to the decreased charge density of PS2K-b-PAA8K. Films formed from BCMs with increased PS block and decreased hydrophilic block (P4VP or PAA) size (e.g., PS36K-b-P4VP12K/PS16K-b-PAA4K at pH 4/4) were also nanoporous. Furthermore, we demonstrate that the nanostructured electrochemical sensors based on patterning methods show the electrochemical activities. Anionic poly(styrene sulfonate) (PSS) layers were selectively and uniformly deposited onto the catalase (CAT)-coated surface using the micro-contact printing method. The pH-induced charge reversal of catalase can provide the selective deposition of consecutive PE multilayers onto patterned PSS layers by causing the electrostatic repulsion between next PE layer and catalase. Based on this patterning method, the hybrid patterned multilayers composed of platinum nanoparticles (PtNP) and catalase were prepared and then their electrochemical properties were investigated from sensing $H_2O_2$ and NO gas. This study was based on the papers reported by our group. (J. Am. Chem. Soc. 128, 9935 (2006); Adv. Mater. 19, 4364 (2007); Electro. Mater. Lett. 3, 163 (2007)).

Preparation and Gas Barrier Properties of Chitosan/Clay Nanocomposite Film (Chitosan/Clay 나노복합재료 필름의 제조와 기체투과 특성)

  • Nam Sang Yong;Park Ji Soon;Rhim Ji Won;Park Byung Gil;Kong Sung-Ho
    • Membrane Journal
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    • v.15 no.3
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    • pp.247-254
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    • 2005
  • Chitosan film has potential applications in agriculture, food, and pharmacy. However, films made only from chitosan lack gas barrier and have poor mechanical properties. For enhanced gas barrier and mechanical properties, chitosan/clay nanocomposites have been prepared with montmorillonite (MMT) which is a layered structure of clays and chitosan. The cationic biopolymer, chitosan is intercalated into $Na^+-montmorillonite$ through cationic exchange and hydrogen bonding process. Diluted acetic acid is used as solvent f3r dissolving and dispersing chitosan. Chitosan was intercalated or exfoliated in MMT and it was confirmed by X-ray diffraction method. D-spacing of the characteristic peak from MMT plate in chitosan/clay nanocomposites was moved and diminished. The thermal stability and the mechanical properties of the nanocomposites are measured by TGA and Universal Testing Machine. Gas permeability through the chitosan/clay nanocomposites films decreased due to increased tortuosity made by intercalation of clay in chitosan.

Rheological Behavior of Lyotropilc Solutions of Cellulose in the $NH_3/NH_4SCN$ Solvent System

  • Jo, Jae-Jeong;Cuculo, J.A.;Theil, M.H.
    • Proceedings of the Korean Fiber Society Conference
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    • 1990.06b
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    • pp.36-37
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    • 1990
  • In the past, facile dissolution of cellulose has been hampered by the lack of suitable nondegrading solvents. Recently, this problem has been solved in our laboratory by the discovery of an inexpensive, convenient solvent system, that is the mixture of $NH_3\;and\;NH_4SCN$, for cellulose. Also, the $cellulose/NH_3/NH_4SCN$ solution system has been found to form the anisotropic, i.e., liquid crystalline phase. It is believed that both the cholesterio and the nematic phase occur. This finding has prompted extensive on-going researoh on the formation of the liquid crystalline phase from an inexpensive natural source such as cellulose since the nematic phase is envisioned as an excellent precursor sources for products with desirable properties, for example, high modulus and high strength. This interest naturally leads to a desire to understand the theological properties of the nematic phase so that the transformation of the nematic phase to the solid state with desirable properties can be efficiently accomplished, ;From this point of view, the theological behavior of the $cellulose/NH3_/NH_4SCN$ system has been studied as a function of shear rate and shear stress over a wide range of solvent compositions, cellulose concentration, centrifugation and urea contents, Results indicate that the viscosity decreases with increasing shear rate. A marked shear thinning behavior and a quasi-Newtonian behavior were observed in the low shear rate region and in the high shear rate region, respectively for all solvent compositions. The $cellulose/NH_3/NH_4SCN$ solution system only exhibited the viscosity increase with increasing cellulose concentration and failed to show the viscosity drop generally observed at the point of incipience of liquid crystal formation, This may be due to the gel-like nature of the solution by the association of the rodlike molecules into bundles which may serve as crosslinking points giving the cellulose solution a network structure. Also, simply hydrogen bonding may be so restrictive of molecular mobility that a viscosity drop is blocked. In addition to the above results, yield stress and thixotropy were also observed in the $cellulose/NH_3/NB_4SCN$ solution system which are characteristics of liquid crystal and gel, The results of the effect of centrifugation on viscosity show that viscosity decreases by the application of centrifugation. This may be explained by the change of the piled polydomain structure to the dispersed polydomain structure due to the pressure gradient generated during centrifugation.ation.

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Comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) on the fungicial activity of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against phytophthora blight fungus (고추역병균에 대한 2-N-benzyl-5-Phenoxy-3-isothiazolone 유도체의 살균활성에 관한 비교분자 유사성 지수분석(CoMSIA)과 홀로그램 구조-활성 관계(HQSAR))

  • Sung, Nack-Do;Kim, Ki-Hyun
    • The Korean Journal of Pesticide Science
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    • v.6 no.3
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    • pp.209-217
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    • 2002
  • Two different QSAR methods, the comparative molecular similarity indices analyses (CoMSIA) and hologram quantitative structure activity relationship (HQSAR) are studied for the fungicidal activities ($pI_{50}$) of 2-N-benzyl-5-phenoxy-3-isothiazolone derivatives against sensitive (SPC: 95CC7105) and resisitive (RPC: 95CC7303) phytophthora blight fungus (Phytaphthora capsici). According to the findings from these QSAR investigation, the cross-validation value, $q^2$ and Pearson correlation coefficient, $r^2$ in the two methods were CoMSIA: RPC; $q^2=0.675,\;r^2=0.942$, SPC; $q^2=0.350,\;r^2=0.876$ and HQSAR: RPC; $q^2=0.519,\;r^2=0.869$, SPC; $q^2=0.483,\;r^2=0.990$, respectively. Therefore, the two models of comparative statistical significance were obtained. From the CoMSIA contour maps, the important factors for selective fungicidal activity against RPC are to be expected that the lower hydrophobic and not bulkiness substituent as hydrogen bonding acceptor have to introduce to meta and para-position (C1-C6) on the phenoxy moiety. And the results of prediction suggest that HQSAR method showed higher fungicidal activity than CoMSIA method.