• Title/Summary/Keyword: Hydrogen Bond

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Hydrogen Bonding Analysis of Hydroxyl Groups in Glucose Aqueous Solutions by a Molecular Dynamics Simulation Study

  • Chen, Cong;Li, Wei Zhong;Song, Yong Chen;Weng, Lin Dong;Zhang, Ning
    • Bulletin of the Korean Chemical Society
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    • v.33 no.7
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    • pp.2238-2246
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    • 2012
  • Molecular dynamics simulations have been performed to investigate hydrogen bonding characteristics of hydroxyl groups in glucose aqueous solutions with different concentrations. The hydrogen bonding abilities and strength of different O and H atom types have been calculated and compared. The acceptor/donor efficiencies have been predicted and it has been found that: (1) O2-HO2 and O3-HO3 are more efficient intramolecular hydrogen bonding acceptors than donors; (2) O1-HO1, O4-HO4 and O6-HO6 are more efficient intramolecular hydrogen bonding donors than acceptors; (5) O1-HO1 and O6-HO6 are more efficient intermolecular hydrogen bonding acceptors than donors while hydroxyl groups O2-HO2 and O4-HO4 are more efficient intermolecular hydrogen bonding donors than acceptors. The hydrogen bonding abilities of hydroxyl groups revealed that: (1) the hydrogen bonding ability of OH2-$H_w$ is larger than that of hydroxyl groups in glucose; (2) among the hydroxyl groups in glucose, the hydrogen bonding ability of O6-HO6 is the largest and the hydrogen bonding ability of O4-HO4 is the smallest; (3) the intermolecular hydrogen bonding ability of O6-HO6 is the largest; (4) the order for intramolecular hydrogen bonding abilities (from large to small) is O2-HO2, O1-HO1, O3-HO3, O6-HO6 and O4-HO4.

Effect of Epigallocatechin Gallate on shear bond strength of composite resin to bleached enamel: an in vitro study

  • Khamverdi, Zahra;Rezaei-Soufi, Loghman;Kasraei, Shahin;Ronasi, Negin;Rostami, Shiva
    • Restorative Dentistry and Endodontics
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    • v.38 no.4
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    • pp.241-247
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    • 2013
  • Objectives: The aim of this study was to determine the effect of epigallocatechin gallate (EGCG) on the shear bond strength of composite resin to bleached enamel. Materials and Methods: Ninety enamel surfaces of maxillary incisors were randomly divided into 9 groups as follows: G1: control (no bleaching); G2: bleaching; G3: bleaching and storage for seven days; G4 - 6: bleaching and application of 600, 800 and 1,000 ${\mu}mol$ of EGCG-containing solution for 10 minutes, respectively; G7 - 9: bleaching and application of 600, 800 and 1,000 ${\mu}mol$ of EGCG-containing solution for 20 minutes, respectively. The specimens were bleached with 30% hydrogen peroxide gel and a composite resin cylinder was bonded on each specimen using a bonding agent. Shear bond strength of the samples were measured in MPa. Data was analyzed using the two-way ANOVA and Tukey HSD tests (${\alpha}$ = 0.05). Results: The maximum and minimum mean shear bond strength values were observed in G1 and G2, respectively. Time and concentration of EGCG showed no significant effects on bond strength of the groups (p > 0.05). Multiple comparison of groups did not reveal any significant differences between the groups except for G2 and all the other groups (p < 0.05). Conclusions: There is a significant decrease in bond strength of composite resin to enamel immediately after bleaching. A delay of one week before bonding and the use of EGCG increased bond strength of composite resin to bleached enamel.

Effects of Hydrogen Gas on the Optical Properties of Diamondlike Carbon Thin Films Prepared by Plasma Enhanced Chemical Vapor Deposition (플라즈마 화학증법에 의해 형성된 Diamondlike Carbon 박막의 광학적 특성에 미치는 수소가스의 영향)

  • Kim, Han-Do;Ju, Seung-Gi
    • Korean Journal of Materials Research
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    • v.4 no.2
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    • pp.152-158
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    • 1994
  • Diamondlike carbon thin film have been fabricated using methane as a reactive gas by plasma enhanced chemical vapor deposition. Effects of hydrogen gas on the optical properties of the thin film has been investigated. When the hydrogen was used as a secondary gas, the role of hydrogen changed with deposition power unlike inert gases such as Ar and He. From the changes of optical band gap and FT-IR analysis, it was predicted that the chemical etching, sputtering of C-H bond by hydrogen and the implantation of hydrogen into the thin film could occur. The validity of the possibilities was confirmed by examining the effect of secondary gases such as Ar and He.

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A Study on the Steam Reforming Reaction of DME on Cu/ZnO/Al2O3 Catalyst for Hydrogen Production (수소 생산을 위한 Cu/ZnO/Al2O3 촉매상에서 DME의 수증기 개질 반응 연구)

  • HYUNSEUNG BYUN;YUNJI KU;JUHEE OH;JAESUNG BAN;YOUNGJIN RAH;JESEOL LEE;WONJUN CHO
    • Transactions of the Korean hydrogen and new energy society
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    • v.34 no.6
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    • pp.581-586
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    • 2023
  • As the development of alternative energy is required due to the depletion of fossil fuels, interest in the use of hydrogen energy is increasing. Hydrogen is a promising clean energy source with high energy density and can lead to the application of environmentally friendly technologies. However, due to difficulties in production, storage, and transportation that prevent the application of hydrogen-based eco-friendly technology, research on reforming reactions using dimethyl ether (DME) is being conducted. Unlike other hydrocarbons, DME is attracting attention as a hydrogen carrier because it has excellent storage stability and transportability, and there is no C-C bond in the molecule. The reaction between DME and steam is one of the reforming processes with the highest hydrogen yield in theory at a temperature lower than that of other hydrocarbons. In this study, a hydrogen reforming device using DME was developed and a catalyst prepared by supporting Cu in alumina was put into a reactor to find optimal hydrogen production conditions for supplying hydrogen to fuel cells while changing reaction temperature (300-500℃), pressure (5-10 bar), and steam/carbon ratio (3:1 to 5:1).