• Title/Summary/Keyword: single hydrogen bonding

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First-Principles Study on the Electronic Structure of Bulk and Single-Layer Boehmite

  • Son, Seungwook;Kim, Dongwook;Na-Phattalung, Sutassana;Ihm, Jisoon
    • Nano
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    • v.13 no.12
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    • pp.1850138.1-1850138.6
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    • 2018
  • Two-dimensional (2D) or layered materials have a great potential for applications in energy storage, catalysis, optoelectronics and gas separation. Fabricating novel 2D or quasi-2D layered materials composed of relatively abundant and inexpensive atomic species is an important issue for practical usage in industry. Here, we suggest the layer-structured AlOOH (Boehmite) as a promising candidate for such applications. Boehmite is a well-known layer-structured material and a single-layer can be exfoliated from the bulk boehmite by breaking the interlayer hydrogen bonding. We study atomic and electronic band structures of both bulk and single-layer boehmite, and also obtain the single-layer exfoliation energy using first-principles calculations.

Effect of post-bleaching time intervals on resin in dentin bonding strength (미백 후 유예 기간에 따른 상아질과 레진의 결합 강도의 변화)

  • Song, Shin-Jae;Kim, Sun-Jong;Ro, Yong-Seon;Ryu, Jae-Jun
    • The Journal of Korean Academy of Prosthodontics
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    • v.47 no.2
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    • pp.174-181
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    • 2009
  • Statement of problem: There is a reduction of dentin bonding strength when the bonding procedure is carried out immediately after bleaching with peroxides. Purpose: The aim of this study is to evaluate a proper time interval for in-office bleaching technique using 35% hydrogen peroxide. Material and methods: Fifty extracted non-caries human third molars were used in this study. Buccal enamel of each tooth was removed and polished by 600 grits silicone carbide paper. They were randomly divided into five groups and bleached 35% hydrogen peroxide except control group. All groups were bonded with Single Bond/Z 350 after each time intervals ; Group-A: control, no bleaching treatment. Group-B: resin bonding immediately after bleaching. Group-C: resin bonding 1day after bleaching. Group-D: resin bonding 2 days after bleaching. Group-E: resin bonding 7days after bleaching. Shear bond strengths were measured with a cross-head speed of 1.0 mm/min using an Instron machine. The data of results were statistically analyzed by analysis of variance(ANOVA) and Tukey multiple comparison test.(P=.05) Results: There were significant decreases in mean shear strength in immediately bonding group after bleaching. The reduction of bond strengths was 78% compared with the group of no bleaching treatment. Group C showed the recovery of 51%, and Group D showed recovery of 63%. Both of them have no statistical difference with non-bleaching group. Group E showed no statistical difference with no bleaching treatment group. Conclusion: Dentin bonding strength is significantly reduced when bonding is performed immediately after bleaching for in-office bleaching regimens using 35% hydrogen peroxide, and increases as time goes by. One week of elapsed time between bleaching and resin bonding significantly increases bonding strengths for the in-office bleaching technique.

Modulation of chromatic reversibility of polydiacetylene Langmuir Schafer (LS) films by cadmium ion Ad/desorption

  • Lee, Gil Sun;Kim, Tae Young;Ahn, Dong June
    • Journal of Industrial and Engineering Chemistry
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    • v.67
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    • pp.312-315
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    • 2018
  • Although the reversibility of 10,12-pentacosadiynoic amino meta-acid(PCDA-mBzA) against temperature and pH was reported, the modulation of reversibility by ion adsorption at terminal functional group has not been investigated. In this work, we developed a simple method for modulating the reversibility of PCDA-mBzA films upon a thermal stimulus by cadmium ion adsorption inducing the breakage of the outer hydrogen bonding of two hydrogen bonds, which are responsible for the reversible properties of PCDA-mBzA. External reflection-Fourier transform infrared (ER-FTIR) analyses revealed that the hydrogen bonding between the carboxylic acid groups was broken through ion adsorption and only a single hydrogen bond between the amide groups remained in the PCDA-mBzA polymer. In addition, PCDA-mBzA films could recover their original property through cadmium ion desorption. These results present that the transition between reversibility and irreversibility can be modulated artificially simply through the adsorption and desorption of metal ions.

Preparation and Properties of Self-Assembled Discotic Liquid Crystals Formed by Hydrogen Bonding (수소결합에 의한 자기조립된 원반형 액정의 제조와 특성)

  • Lee, Jun Hyup
    • Journal of Adhesion and Interface
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    • v.15 no.4
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    • pp.161-168
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    • 2014
  • New self-assembled discotic liquid crystals have been prepared through single hydrogen bonding between phenol and pyridine moieties, and their liquid crystalline properties were investigated. For the construction of discotic structure, we used phloroglucinol as a core molecule and trans-4-alkoxy-4'-stilbazoles with systematically varied alkyl chain lengths as peripheral units. FTIR results showed that the intermolecular hydrogen bonds between core and peripheral molecules are successfully formed, and the stability of the hydrogen bond is strongly influenced by molecular ordering. Discotic complexes exhibited different liquid crystalline phases depending on the length of alkyl chains around the discotic mesogen. The discotic complexes with longer alkyl chains showed hexagonal columnar mesophases, while the other complexes formed nematic columnar mesophases. These results indicated that the type of mesophase structure was strongly dependent on the alkyl chain length around the aromatic core.

Intermolecular Hydrogen Bonding and Vibrational Analysis of N,N-Dimethylformamide Hexamer Cluster

  • Park, Sun-Kyung;Min, Kyung-Chul;Lee, Choong-Keun;Hong, Soon-Kang;Kim, Yun-Soo;Lee, Nam-Soo
    • Bulletin of the Korean Chemical Society
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    • v.30 no.11
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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.

A study on the bonding strength of co-cured T800/epoxy composite-aluminum single lap joint according to the forming and additional pressures (동시 경화법으로 제조된 T800/에폭시 복합재료-알루미늄 단면겹치기조인트의 성형압력 및 부가압력에 따른 접착강도에 관한 연구)

  • Son, Dae-Sung;Bae, Ji-Hun;Chang, Seung-Hwan
    • Composites Research
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    • v.24 no.5
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    • pp.23-28
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    • 2011
  • In this paper, the bonding strengths of co-cured T800 carbon/epoxy composite-aluminum single lap joints with and without additional pressures were investigated using the pressure information induced by the fiber tension during a filament winding process. The specimens of all the tests were fabricated by an autoclave vacuum bag de-gassing molding being controlled forming pressures (absolute pressures of 0.1MPa, 0.3MPa and 0.7MPa including vacuum). A special device which can act uniform additional pressures on the joining part of the single lap joint specimen was designed to measure the bonding strengths of composite-aluminum liners of type III hydrogen pressure vessel fabricated by a filament winding process. After the three different additional pressures (absolute pressures of 0.1MPa, 0.3MPa and 0.7MPa) were applied to the specimens the effect of the additional pressures on the bonding strengths of the co-cured single-lap joints were evaluated.

Single-Crystal Silicon Thin-Film Transistor on Transparent Substrates

  • Wong, Man;Shi, Xuejie
    • 한국정보디스플레이학회:학술대회논문집
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    • 2005.07b
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    • pp.1103-1107
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    • 2005
  • Single-crystal silicon thin films on glass (SOG) and on fused-quartz (SOQ) were prepared using wafer bonding and hydrogen-induced layer transfer. Thinfilm transistors (TFTs) were subsequently fabricated. The high-temperature processed SOQ TFTs show better device performance than the low-temperature processed SOG TFTs. Tensile and compressive strain was measured respectively on SOQ and SOG. Consistent with the tensile strain, enhanced electron effective mobility was measured on the SOQ TFTs.

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Vibrational Analysis and Intermolecular Hydrogen Bonding of Azodicarbonamide in the Pentamer Cluster

  • Lee, Choong-Keun;Park, Sun-Kyung;Min, Kyung-Chul;Kim, Yun-Soo;Lee, Nam-Soo
    • Bulletin of the Korean Chemical Society
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    • v.29 no.10
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    • pp.1951-1959
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    • 2008
  • Pentamer cluster of azodicarbonamide (ADA) based on the crystalline structure was investigated for the equilibrium structure, the stabilization energies, and the vibrational properties at various levels of the density functional theory. Stretching force constants of N${\cdot}{\cdot}{\cdot}$H or O${\cdot}{\cdot}{\cdot}$H, and angle-bending force constants of N-H${\cdot}{\cdot}{\cdot}$N or N-H${\cdot}{\cdot}{\cdot}$O for intermolecular hydrogen bonds in the pentamer cluster were obtained in 0.2-0.5 mdyn/$\AA$ and 1.6-2.0 mdyn$\AA$, respectively. The geometry of central ADA molecule fully hydrogen bonded with other four molecules shows good coincidence to the crystalline structure except the bond distances of N-H. Calculated Raman and infrared spectra of central ADA molecule in cluster represent well the experimental spectra of ADA obtained in the solid state compared to a single molecule. Detailed structural and vibrational properties of central ADA molecule in the pentamer cluster are presented.

Transient Protection of Intramolecular Hydrogen Bonding: A Simple but Elegant Approach for Functional Imaging

  • Kim, Jong-Man;Min, Sung-Jun;Park, Bum-Jun;Lee, Jae-Hyung;Ahn, Kwang-Duk
    • Macromolecular Research
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    • v.12 no.5
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    • pp.493-500
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    • 2004
  • We have developed a novel method for patterning functional images in thin polymer films. The key materials we utilized for the imaging were dihydroxyanthraquinones protected with acid-labile tert-butoxycarbonyl (t-Boc) blocking groups. Among the tested compounds, 1,4-dihydroxyanthraquinone (quinizarin; 1) underwent the most drastic change in terms of its color and fluorescence upon protection. We prepared the t-Boc-protected quinizarin and polymers bearing the protected quinizarins as pendent groups. To investigate the possibility of a single-component imaging system, we synthesized a styrenic monomer 14 incorporating protected quinizarin and a maleimide derivative 15 bearing a photoacid generating group and subjected them to polymerization. Selective removal of the protecting groups of the quinizarin moieties in the exposed area using photolithographic techniques allowed regeneration of quinizarin and patterned fluorescence images in the polymer films.

DSC and FTIR Studies of Miscible Poly(butylene 2,6-naphthalate)/Poly(4-vinylphenol) Blends (DSC와 FTIR을 이용한 상용성 (폴리부틸렌나프탈레이트/폴리비닐페놀) 블렌드의 연구)

  • 이준열;한지영
    • Polymer(Korea)
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    • v.26 no.6
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    • pp.737-744
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    • 2002
  • Thermodynamic miscibility of the binary blends composed of semi-crystalline poly (butylene 2,6-naphthalate) (PBN) and amorphous poly (4-vinylphenol) (PVPh) was investigated using differential scanning calorimetry (DSC) and Fourier transform infrared (FTIR) spectroscopy. DSC scan results showed that there was a single glass transition temperature (T$\_$g/) for each blend. Crystalline melting temperature (T$\_$m/) depression of the PBN in the blends was also observed with the increase of PVPh content. Both results of the single T$\_$g/ and the depression of T$\_$m/ for the PBN/PVPh blends indicate that the blends are thermodynamically miscible at the molecular level. FTIR spectroscopic analysis confirmed that strong intermolecular hydrogen bonding interactions between the ester carbonyl groups of the PBN and the hydroxyl groups of the PVPh are occurred.