• Title/Summary/Keyword: hydrogen bonds

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Synthesis and Structure Dinitroethylenediamine Palladium(II) (Dinitroethylenediamine Palladium(II)의 합성 및 결정구조 연구)

  • Namgung Hae
    • Korean Journal of Crystallography
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    • v.15 no.2
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    • pp.74-77
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    • 2004
  • The crystal structure of Dinitroethylenediaminepalladium(II), $Pd(C_2H_8N_2)(NO_2)_2$, has been determined by X-ray crystallography. Crystal data: a=7.425(3), b=8.480(4), c=11.885(2) ${\AA}$, Orthorhombic, $A2_1ma$ (Space Group No=36), Z=4, V=748.3(4) ${\AA}^3,\;D_c=2.295 gcm^{-3},\;{\mu}=2.457mm^{-1}$. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were $R_1=0.0306,\;R_w=0.0802,\;R_{all}=0.0320,\;and\;S=1.166)$ for the observed 377 reflections. Bond lengths and angles of palladium complex are similar to the previously reported data. The complex structure is one dimensional Reiset's salt type analogue showing zigzag chain of Pd-Pd length and angle of 3.762(2) ${\AA}$ and $161.41(5)^{\circ}$. The complex molecules are linked through inter-and intramolecular hydrogen bonds of 3.05(1) and 3.15(1) ${\AA}$ between oxygen and nitrogen.

Ab Initio Conformational Study on Ac-Pro-$NMe_2$: a Model of Polyproline

  • Kang, Young-Kee
    • Proceedings of the Korean Biophysical Society Conference
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    • 2003.06a
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    • pp.75-75
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    • 2003
  • We report here the results on N-acetyl-N'-dimethylamide of proline (Ac-Pro-NM $e_2$) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level with the 6-31+G(d) basis set to investigate the conformational preference of polyproline depending on the cis/trans peptide bonds and down/up puckerings along the backbone torsion angle $\square$ in the gas phase, chloroform, and water. In the gas phase, Ac-Pro-NM $e_2$ has seven local minima of tFd, tFu, cFd, cFu, cAu, tAu, and cAd conformations. In particular, polyproline conformations tFd, tFu, cFd, and cFu are found to be more stable than $\square$-helical conformations cAu, tAu, and cAd. In contrast, Ac-Pro-NHMe has seven local minima of tCd, tCu, cBd, cAu, tAu, cFd, and cFu conformations. Conformations tCd and tCu are found to be most stable, which is ascribed to the intramolecular hydrogen bond between C=O of acetyl group and $N^{~}$ H of N'-methyl amide group. The stability of the cFd conformation (i.e., the polyproline I structure) in chloroform is somewhat increased, relative to that in water, although tFd and tFu conformations (i.e., the polyproline II structure) are dominate both in chloroform and water. The population of backbone conformations feasible in chloroform and water is consistent with the experiments. This work is supported by a Korea Research Foundation Grant (KRF-2002-041-C00129).

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Passivation properties of SiNx and SiO2 thin films for the application of crystalline Si solar cells (결정질 실리콘 태양전지 응용을 위한 SiNx 및 SiO2 박막의 패시베이션 특성 연구)

  • Jeong, Myung-Il;Choi, Chel-Jong
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.24 no.1
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    • pp.41-45
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    • 2014
  • We have investigated the passivation property of $SiN_x$ and $SiO_2$ thin films formed using various process conditions for the application of crystalline Si solar cells. An increase in the thickness of $SiN_x$ deposited using plasma enhanced chemical vapor deposition (PECVD) led to the improvement of passivation quality. This could be associated with the passivation of Si dangling bonds by hydrogen atoms which were supplied during PECVD deposition. The $SiO_2$ thin films grown using dry oxidation process exhibited better passivation behavior than those using wet oxidation process, implying the dry oxidation process was more effective in the formation of high quality $SiO_2$ thin films. The relative effective life time gradually decreased with increasing dry oxidation temperature. Such a degradation of passivation behavior could be attributed to the increase in interface trap density caused by thermal damages.

A Series of 3D Lanthanide Complexes Containing (La(III), Sm(III) and Gd(III)) Metal-organic Frameworks: Synthesis, Structure, Characterization and Their Luminescent Properties

  • Zhang, Huai-Min;Yang, Hao;Wu, Lan-Zhi;Song, Shuang;Yang, Li-Rong
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3777-3787
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    • 2012
  • Three kinds of 3D isomorphous and isostructural coordination polymers, namely, $\{[Ln_2(PDA)_3(H_2O)_3]{\cdot}0.25H_2O\}_{\infty}$ (Ln = La(1), Sm(2), and Gd(3)) ($PDA^{2-}$ = pyridine-2,6-dicarboxylate anion) have been synthesized under hydrothermal conditions and characterized by elemental analyses, IR spectroscopy, thermal analyses and single crystal X-ray diffraction. In these MOFs, Ln(III) centers adopt eight-coordinated and nine-coordinated with the $N_1O_7$ and $N_2O_7$ donor sets to construct distorted trianglar dodecahedron geometry and tricapped trigonal prism configurations, respectively. Based on the building block of tetranuclear homometallic $Ln_4C_4O_8$ unit (16-membered ring), 1-3 are connected into highly ordered 2D sheets via O-C-O linkers and further constructed into 3D architectures through hydrogen bonds. Crystallographic parameters suggest that the lanthanide contraction effect exist in these coordination polymers. Luminescent properties of the lanthanide-based MOFs (metal-organic frameworks) have been measured at room temperature, which reveal that they presenting ionselective characters toward certain metals, such as $Mg^{2+}$, $Cd^{2+}$ and $Pb^{2+}$ ions.

A Study on Modified Silicon Surface after $CHF_3/C_2F_6$ Reactive Ion Etching

  • Park, Hyung-Ho;Kwon, Kwang-Ho;Lee, Sang-Hwan;Koak, Byung-Hwa;Nahm, Sahn;Lee, Hee-Tae;Kwon, Oh-Joon;Cho, Kyoung-Ik;Kang, Young-Il
    • ETRI Journal
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    • v.16 no.1
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    • pp.45-57
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    • 1994
  • The effects of reactive ion etching (RIE) of $SiO_2$ layer in $CHF_3/C_2F_6$ on the underlying Si surface have been studied by X-ray photoelectron spectroscopy (XPS), secondary ion mass spectrometer, Rutherford backscattering spectroscopy, and high resolution transmission electron microscopy. We found that two distinguishable modified layers are formed by RIE : (i) a uniform residue surface layer of 4 nm thickness composed entirely of carbon, fluorine, oxygen, and hydrogen with 9 different kinds of chemical bonds and (ii) a contaminated silicon layer of about 50 nm thickness with carbon and fluorine atoms without any observable crystalline defects. To search the removal condition of the silicon surface residue, we monitored the changes of surface compositions for the etched silicon after various post treatments as rapid thermal anneal, $O_2$, $NF_3$, $SF_6$, and $Cl_2$ plasma treatments. XPS analysis revealed that $NF_3$ treatment is most effective. With 10 seconds exposure to $NF_3$ plasma, the fluorocarbon residue film decomposes. The remained fluorine completely disappears after the following wet cleaning.

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Properties of $SiO_2$Deposited by Remote Plasma Chemical Vapor Deposition(RPCVD) (원거리 플라즈마 화학증착법으로 증착된 이산화규소박막의 물성)

  • Park, Yeong-Bae;Gang, Jin-Gyu;Lee, Si-U
    • Korean Journal of Materials Research
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    • v.5 no.6
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    • pp.706-714
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    • 1995
  • Silicon oxide thin films were deposited by remote plasma chemical vapor deposition (RPCYD). The effect of the operating variables, such as plasma power, deposition temperature and partial pressure of reactant on the material Properties of the silicon oxide film was investigated. By XPS, it was found out that the film was suboxide (O/Si<2) and small amount of nitrogen due to the plasma excitation was accumulated at the Si/SiO$_2$interface. The amount of dangling bonds at the Si/SiO$_2$interfaces were measured by ESR and the concentration of hydrogen bond was obtained by SIMS and FT-IR. The bond angle distribution(d$\theta$/$\theta$) was shown to be similiar to thermal oxide above 20$0^{\circ}C$ but the etch rate was higher than that of the thermal oxides due to the structural difference and the stress between silicon substrate and silicon oxide film.

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Optimized Decomposition of Ammonia Borane for Controlled Synthesis of Hexagonal Boron Nitride Using Chemical Vapor Deposition

  • Han, Jaehyu;Kwon, Heemin;Yeo, Jong-Souk
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.285-285
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    • 2013
  • Recently, hexagonal boron nitride (h-BN), which is III-V compound of boron and nitride by strong covalent sp2 bonds has gained great interests as a 2 dimensional insulating material since it has honeycomb structure with like graphene with very small lattice mismatch (1.7%). Unlike graphene that is semi-metallic, h-BN has large band gap up to 6 eV while providing outstanding properties such as high thermal conductivity, mechanical strength, and good chemical stability. Because of these excellent properties, hBN can potentially be used for variety of applications such as dielectric layer, deep UV optoelectronic device, and protective transparent substrate. Low pressure and atmospheric pressure chemical vapor deposition (LPCVD and APCVD) methods have been investigated to synthesize h-BN by using ammonia borane as a precursor. Ammonia borane decomposes to polyiminoborane (BHNH), hydrogen, and borazine. The produced borazine gas is a key material that is a used for the synthesis of h-BN, therefore controlling the condition of decomposed products from ammonia borane is very important. In this paper, we optimize the decomposition of ammonia borane by investigating temperature, amount of precursor, and other parameters to fabricate high quality monolayer h-BN. Synthesized h-BN is characterized by Raman spectroscopy and its absorbance is measured with UV spectrophotometer. Topological variations of the samples are analyzed by atomic force microscopy. Scanning electron microscopy and Scanning transmission Electron microscopy are used for imaging and analysis of structures and surface morphologies.

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Effect of the Calcium Nitrate Solution Treatment on the Tensile, Bending, and Shear Properties of Silk Fabric

  • Park, Su-Zin;Kang, Ji-Young;Seol, Da-Won;Yang, Hye-Min;Lee, Ji-Min;Ahn, Ye-Ji;Han, Seo-Young;Kim, Jong-Jun
    • Journal of Fashion Business
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    • v.14 no.6
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    • pp.39-52
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    • 2010
  • Interests in creating three-dimensionally designed fabric materials are growing rapidly in the sectors of the fashionable textiles with the creativity, new functions, and aesthetics. A number of finishing methods have been developed and proposed to add or create new functions and designs for silk fabrics. Due to the strong hydrogen bonds between the molecules of silk fibroins, the thermal treatment methods used in thermoplastic fiber processing, which can easily deform the synthetic filament fabrics to endow three-dimensional appearance to the fabrics, are not applicable to the silk fabric treatment. In order to modify the fine structure of silk fiber, neutral salt solution treatment methods have been suggested. In this study, the effect of the calcium nitrate solution on the physical and mechanical properties of silk fabrics was investigated by using the KES(Kawabata Evaluation System) equipment. Based on these findings, relationships between parameters, for example, the thickness and the compressional energy, the thickness and the compressional linearity, and the air permeability and the pore area statistical analysis were investigated. The relationships between the process parameters such as treatment temperature/time and the resulting fabric property parameters were also analyzed by using several SAS procedures.

Injectable hydrogels delivering therapeutic agents for disease treatment and tissue engineering

  • Lee, Jin Hyun
    • Biomaterials Research
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    • v.22 no.4
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    • pp.235-248
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    • 2018
  • Background: Injectable hydrogels have been extensively researched for the use as scaffolds or as carriers of therapeutic agents such as drugs, cells, proteins, and bioactive molecules in the treatment of diseases and cancers and the repair and regeneration of tissues. It is because they have the injectability with minimal invasiveness and usability for irregularly shaped sites, in addition to typical advantages of conventional hydrogels such as biocompatibility, permeability to oxygen and nutrient, properties similar to the characteristics of the native extracellular matrix, and porous structure allowing therapeutic agents to be loaded. Main body: In this article, recent studies of injectable hydrogel systems applicable for therapeutic agent delivery, disease/cancer therapy, and tissue engineering have reviewed in terms of the various factors physically and chemically contributing to sol-gel transition via which gels have been formed. The various factors are as follows: several different non-covalent interactions resulting in physical crosslinking (the electrostatic interactions (e.g., the ionic and hydrogen bonds), hydrophobic interactions, ${\pi}$-interactions, and van der Waals forces), in-situ chemical reactions inducing chemical crosslinking (the Diels Alder click reactions, Michael reactions, Schiff base reactions, or enzyme-or photo-mediated reactions), and external stimuli (temperatures, pHs, lights, electric/magnetic fields, ultrasounds, or biomolecular species (e.g., enzyme)). Finally, their applications with accompanying therapeutic agents and notable properties used were reviewed as well. Conclusion: Injectable hydrogels, of which network morphology and properties could be tuned, have shown to control the load and release of therapeutic agents, consequently producing significant therapeutic efficacy. Accordingly, they are believed to be successful and promising biomaterials as scaffolds and carriers of therapeutic agents for disease and cancer therapy and tissue engineering.

Enhancement of Mechanical Properties of 2K Polyurethane Adhesives via Forming Ionic Bonds (이온결합 형성에 따른 이액형 폴리우레탄 접착제의 기계적 특성 향상)

  • Kwon, Haeun;Kim, Doo Hun;Kim, Gu Ni
    • Journal of Adhesion and Interface
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    • v.22 no.4
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    • pp.128-135
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    • 2021
  • In this study, the acid polyols containing acid groups were synthesized, the novel polyurethane adhesive was developed by introducing the acid polyol by content. The acid polyols were introduced, the mechanical properties showed the maximum value when the acid content was 0.1 to 0.3 wt%, and it was confirmed that the mechanical properties and adhesive strength decreased at the content higher than 0.5 wt%. As the acid group, carboxylic acid and sulfuric acid were introduced to compare properties, and carboxylic acid showed stronger hydrogen bonding potential than sulfuric acid and improved mechanical properties. In addition, the correlation between particle size and mechanical properties was confirmed by introducing ZnO and CaCO3. When ZnO and CaCO3 were introduced, an ionic bond was formed with an acid group, and it was confirmed that mechanical properties were increased.