• Title/Summary/Keyword: hydrogen bonds

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The Crystal and Molecular Structure of Thiosinamine (Thiosinamine의 결정 및 분자구조)

  • Shin, Hyun-So;Koo, Chung-Hoe;Lee, Soon-Won
    • Journal of the Korean Chemical Society
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    • v.28 no.4
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    • pp.205-209
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    • 1984
  • The crystal and molecular structure of thiosinamine, $H_2NCSNHCH_2CHCH_2$, has been determined by X-ray diffraction method. The crystals are monoclinic, space group $P2_1/a$ with four molecules in a unit cell of dimensions, a = 9.819(3), b = 8.553(3), c = 9.170(2)${\AA}$, ${\beta}$ = 127.3(1)$^{\circ}$, and z = 4. Intensity data for 814 reflections were collected with a Rigaku-Denki automatic four circle diffractometer. The structure was solved by direct and Fourier methods. Refinements were carried out by full matrix least-squares method to a final R value of 0.046. The thiourea unit is planar, and the bond lengths and angles in that unit agree well with those in the compounds which contain a thiourea moiety. The molecules are linked together by the two patterns of N-H${\cdots}$S hydrogen bonds along the b-axis.

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Crystal Packing of Two Different Tetranuclear Iron(III) Clusters, [(tacn)4Fe4O2(OH)4]2.8Br.9H2O (tacn = 1,4,7-triazacyclononane)

  • Jin, Mi-Kyung;Kim, Yoo-Jin;Jung, Duk-Young;Heu, Min;Yoon, Seok-Won;Suh, Byoung-Jin
    • Bulletin of the Korean Chemical Society
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    • v.26 no.2
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    • pp.253-259
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    • 2005
  • [$(tacn)_4Fe_4O_2(OH)_4]_2{\cdot}8Br{\cdot}9H_2O$ (tacn = 1,4,7-triazacyclononane), a tetranuclear iron(III) complex was synthesized by the hydrolysis of (tacn)FeCl3 and crystallizes in the orthorhombic space group, Pca2(1), with cell parameters, a = 37.574(3) $\AA$, b = 16.9245(12) $\AA$, c = 14.2830(11) $\AA$, V = 9082.9(12) ${\AA}^3$. [$(tacn)_4Fe_4O_2(OH)_4]^{4+}$ cations approach S4 point symmetry containing an adamantane skeleton. Four Fe(III) atoms have distorted octahedral environments with two hydroxo and an oxo bridges. Two [$(tacn)_4Fe_4O_2(OH)_4]^{4+}$ clusters having different Fe…Fe distances are connected to each other by the networked hydrogen bonds. The electrochemical behavior reveals irreversible three cathodic and two anodic peaks. Magnetic properties are characterized by antiferromagnetic (AF) interactions between Fe(III) ion spins. However, the low-lying states are still magnetic and exhibit a blocking behavior and a magnetic hysteresis at low temperatures.

Binding model for eriodictyol to Jun-N terminal kinase and its anti-inflammatory signaling pathway

  • Lee, Eunjung;Jeong, Ki-Woong;Shin, Areum;Jin, Bonghwan;Jnawali, Hum Nath;Jun, Bong-Hyun;Lee, Jee-Young;Heo, Yong-Seok;Kim, Yangmee
    • BMB Reports
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    • v.46 no.12
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    • pp.594-599
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    • 2013
  • The anti-inflammatory activity of eriodictyol and its mode of action were investigated. Eriodictyol suppressed tumor necrosis factor (mTNF)-${\alpha}$, inducible nitric oxide synthase (miNOS), interleukin (mIL)-6, macrophage inflammatory protein (mMIP)-1, and mMIP-2 cytokine release in LPS-stimulated macrophages. We found that the anti-inflammatory cascade of eriodictyol is mediated through the Toll-like Receptor (TLR)4/CD14, p38 mitogen-activated protein kinases (MAPK), extracellular-signal-regulated kinase (ERK), Jun-N terminal kinase (JNK), and cyclooxygenase (COX)-2 pathway. Fluorescence quenching and saturation-transfer difference (STD) NMR experiments showed that eriodictyol exhibits good binding affinity to JNK, $8.79{\times}10^5M^{-1}$. Based on a docking study, we propose a model of eriodictyol and JNK binding, in which eriodictyol forms 3 hydrogen bonds with the side chains of Lys55, Met111, and Asp169 in JNK, and in which the hydroxyl groups of the B ring play key roles in binding interactions with JNK. Therefore, eriodictyol may be a potent anti-inflammatory inhibitor of JNK.

Physical properties and electrical characteristic analysis of silicon nitride deposited by PECVD using $N_2$ and $SiH_4$ gases ($N_2$$SiH_4$ 가스를 사용하여 PECVD로 증착된 Silicon Nitride의 물성적 특성과 전기적 특성에 관한 연구)

  • Ko, Jae-Kyung;Kim, Do-Young;Park, Joong-Hyun;Park, Sung-Hyun;Kim, Kyung-Hae;Yi, Jun-Sin
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.05c
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    • pp.83-87
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    • 2002
  • Plasma enhanced chemical vapor deposited (PECVD) silicon nitride ($SiN_X$) is widely used as a gate dielectric material for the hydrogenated amorphous silicon(a-Si:H) thin film transistors (TFT's). We investigated $SiN_X$ films were deposited PECVD at low temperature ($300^{\circ}C$). The reaction gases were used pure nitrogen and a helium diluted of silane gas(20% $SiH_4$, 80% He). Experimental investigations were carried out with the variation of $N_2/SiH_4$ flow ratios from 3 to 50 and the rf power of 200 W. This article presents the $SiN_X$ gate dielectric studies in terms of deposition rate, hydrogen content, etch rate and C-V, leakage current density characteristics for the gate dielectric layer of thin film transistor applications. Electrical properties were analyzed through high frequency (1MHz) C-V and current-voltage (I-V) measurements. The thickness and the refractive index on the films were measured by ellipsometry and chemical bonds were determined by using an FT-IR equipment.

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Rheology of Concentrated Xanthan Gum Solutions : Steady Shear Flow Behavior

  • Song Ki-Won;Kim Yong-Seok;Chang Gap-Shik
    • Fibers and Polymers
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    • v.7 no.2
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    • pp.129-138
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    • 2006
  • Using a strain-controlled rheometer, the steady shear flow properties of aqueous xanthan gum solutions of different concentrations were measured over a wide range of shear rates. In this article, both the shear rate and concentration dependencies of steady shear flow behavior are reported from the experimentally obtained data. The viscous behavior is quantitatively discussed using a well-known power law type flow equation with a special emphasis on its importance in industrial processing and actual usage. In addition, several inelastic-viscoplastic flow models including a yield stress parameter are employed to make a quantitative evaluation of the steady shear flow behavior, and then the applicability of these models is also examined in detail. Finally, the elastic nature is explained with a brief comment on its practical significance. Main results obtained from this study can be summarized as follows: (1) Concentrated xanthan gum solutions exhibit a finite magnitude of yield stress. This may come from the fact that a large number of hydrogen bonds in the helix structure result in a stable configuration that can show a resistance to flow. (2) Concentrated xanthan gum solutions show a marked non-Newtonian shear-thinning behavior which is well described by a power law flow equation and may be interpreted in terms of the conformational status of the polymer molecules under the influence of shear flow. This rheological feature enhances sensory qualities in food, pharmaceutical, and cosmetic products and guarantees a high degree of mix ability, pumpability, and pourability during their processing and/or actual use. (3) The Herschel-Bulkley, Mizrahi-Berk, and Heinz-Casson models are all applicable and have equivalent ability to describe the steady shear flow behavior of concentrated xanthan gum solutions, whereas both the Bingham and Casson models do not give a good applicability. (4) Concentrated xanthan gum solutions exhibit a quite important elastic flow behavior which acts as a significant factor for many industrial applications such as food, pharmaceutical, and cosmetic manufacturing processes.

Removal of Trihalomethanes from Tap Water using Activated Carbon Fiber (활성탄소섬유를 사용한 수돗물 내 트리할로메탄의 제거)

  • Yoo, Hwa In;Ryu, Seung Kon
    • Korean Chemical Engineering Research
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    • v.50 no.1
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    • pp.83-87
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    • 2012
  • Activated carbon fiber (ACF) was used to remove four kinds of trihalomethanes(THMs) from tap water which were remained as by-products during the chlorination of water. Adsorption capacity was investigated as a function of THMs concentration and solution temperature, and adsorption mechanism was studied in relating to the surface characteristics of ACF. All the four kinds of THMs were rapidly adsorbed on the surface of ACF by physical adsorption due to the enormous surface micropores and chemical adsorption due to the hydrogen bonds, showing a Langmuir type adsorption isotherm. Langmuir type is especially profitable for the adsorption of low level adsorptives. ACF was very effective for the removal of THMs from tap water because the THMs concentration is below $30{\mu}g/L$ in tap water. The adsorption amount of THMs on ACF increased in order of the number of brom atom; chloroform, bromodichloromethane, dibromochloromethane, and bromoform. The adsorption capacity increased as increasing the number of brom atom due to the decrease of polarity in solution. The adsorption capacity of THMs on ACF can be enhanced by proper surface treatment of ACF.

Variation in the Nanostructural Features of the nc-Si:H Thin Films with Substrate Temperature (수소화된 나노결정 실리콘 박막의 기판온도에 따른 나노구조 변화)

  • Nam, Hee-Jong;Son, Jong-Ick;Cho, Nam-Hee
    • Korean Journal of Materials Research
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    • v.23 no.7
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    • pp.359-365
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    • 2013
  • We investigated the nanostructural, chemical and optical properties of nc-Si:H films according to deposition conditions. Plasma enhanced chemical vapor deposition(PECVD) techniques were used to produce nc-Si:H thin films. The hydrogen dilution ratio in the precursors, [$SiH_4/H_2$], was fixed at 0.03; the substrate temperature was varied from room temperature to $600^{\circ}C$. By raising the substrates temperature up to $400^{\circ}C$, the nanocrystalite size was increased from ~2 to ~7 nm and the Si crystal volume fraction was varied from ~9 to ~45% to reach their maximum values. In high-resolution transmission electron microscopy(HRTEM) images, Si nanocrystallites were observed and the crystallite size appeared to correspond to the crystal size values obtained by X-ray diffraction(XRD) and Raman Spectroscopy. The intensity of high-resolution electron energy loss spectroscopy(EELS) peaks at ~99.9 eV(Si $L_{2,3}$ edge) was sensitively varied depending on the formation of Si nanocrystallites in the films. With increasing substrate temperatures, from room temperature to $600^{\circ}C$, the optical band gap of the nc-Si:H films was decreased from 2.4 to 1.9 eV, and the relative fraction of Si-H bonds in the films was increased from 19.9 to 32.9%. The variation in the nanostructural as well as chemical features of the films with substrate temperature appears to be well related to the results of the differential scanning calorimeter measurements, in which heat-absorption started at a substrate temperature of $180^{\circ}C$ and the maximum peak was observed at ${\sim}370^{\circ}C$.

Preparation and Properties of Waterborne Polyurethanes Based on Mixtures of Hydroxy-Terminated Polybutadiene and Poly(propylene glycol) (수산기말단 폴리부타디엔/폴리 (프로필렌 글리콜) 혼합물을 이용한 수분산 폴리우레탄의 제조와 물성)

  • Lee Seon-Suk;Lee Si-Ho;Lee Dai-Soo
    • Polymer(Korea)
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    • v.30 no.2
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    • pp.152-157
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    • 2006
  • Anionic or Zwitter-ionic waterbone polyurethanes (WPU) based on mixtures of hydroxy terminated poly-butadiene and poly(propylene glycol) were prepared and their physical properties were characterized. Particle size of WPU increased with increasing the content of HTPB. It was observed that the microphase separation of soft segments and hart segments increased with increasing the content of HTPB in the WPUs. Zwitter-ionic WPU showed stronger hydrogen bonds between molecules than anionic WPU after drying. Polyurethane films obtained after drying of WPUs exhibit besmechanical properties when the HTPB content among polyols for WPUs were 25wt%. It is postulated that such mechanical properties resulted from different microphase separation of soft segments and hard segments of polyurethane films obtainec after drying of WPUs.

Improvement of the Biocompatibility of Chitosan Dermal Scaffold by Rigorous Dry Heat Treatment

  • Kim, Chun-Ho;Park, Hyun-Sook;Gin, Yong-Jae;Son, Young-Sook;Lim, Sae-Hwan;Park, Young-Ju;Park, Ki-Sook;Park, Chan-Woong
    • Macromolecular Research
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    • v.12 no.4
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    • pp.367-373
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    • 2004
  • We have developed a rigorous heat treatment method to improve the biocompatibility of chitosan as a tissue-engineered scaffold. The chitosan scaffold was prepared by the controlled freezing and lyophilizing method using dilute acetic acid and then it was heat-treated at 110$^{\circ}C$ in vacuo for 1-3 days. To explore changes in the physicochemical properties of the heat-treated scaffold, we analyzed the degree of deacetylation by colloid titration with poly(vinyl potassium sulfate) and the structural changes were analyzed by scanning electron microscopy, Fourier transform infrared (FT-IR) spectroscopy, wide-angle X-ray diffractometry (WAXD), and lysozyme susceptibility. The degree of deacetylation of chitosan scaffolds decreased significantly from 85 to 30% as the heat treatment time increased. FT-IR spectroscopic and WAXD data indicated the formation of amide bonds between the amino groups of chitosan and acetic acids carbonyl group, and of interchain hydrogen bonding between the carbonyl groups in the C-6 residues of chitosan and the N-acetyl groups. Our rigorous heat treatment method causes the scaffold to become more susceptible to lysozyme treatment. We performed further examinations of the changes in the biocompatibility of the chitosan scaffold after rigorous heat treatment by measuring the initial cell binding capacity and cell growth rate. Human dermal fibroblasts (HDFs) adhere and spread more effectively to the heat-treated chitosan than to the untreated sample. When the cell growth of the HDFs on the film or the scaffold was analyzed by an MTT assay, we found that rigorous heat treatment stimulated cell growth by 1.5∼1.95-fold relative to that of the untreated chitosan. We conclude that the rigorous dry heat treatment process increases the biocompatibility of the chitosan scaffold by decreasing the degree of deacetylation and by increasing cell attachment and growth.

Study on the Inclusion Behavior of Sulfobutylether-β-Cyclodextrin with Perphenazine by Flow Injection Chemiluminescence

  • Shen, Minxia;Lv, Hairu;Song, Zhenghua
    • Bulletin of the Korean Chemical Society
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    • v.34 no.11
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    • pp.3199-3205
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    • 2013
  • The inclusion behavior of sulfobutylether-${\beta}$-cyclodextrin (SBE-${\beta}$-CD) with perphenazine (PPH) was first studied by flow injection (FI)-chemiluminescence (CL) analysis with proposed $lg[(I_0-I_s)/I_s]=lgK_{P-CD}+nlg[C_{PPH}]$ model and molecular docking. Results showed that a 1:1 complex of SBE-${\beta}$-CD/PPH could online form, with the formation constant $K_{P-CD}$ of $2.57{\times}10^7Lmol^{-1}$ at 298 K. The thermodynamic parameters showed that the inclusion behavior of SBE-${\beta}$-CD/PPH was a spontaneous process by hydrophobic interaction. The molecular docking results revealed PPH entered into the larger cavity of SBE-${\beta}$-CD with two hydrogen bonds. Based on the linear relationship of the decrement of luminol/SBE-${\beta}$-CD/PPH CL intensity against the logarithm of PPH concentration ranging from 0.03 to 30.0 ng $mL^{-1}$, the present FI-CL analysis using luminol/SBE-${\beta}$-CD/PPH system was successfully applied to PPH determination in biological fluids and tablets with recoveries from 94.5 to 105.6% and RSDs less than 2.6% (n = 5).