• Title/Summary/Keyword: H atoms

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Toluene-4-sulfonic Acid 4-Allyl-2,6-dimethoxy-phenyl Ester

  • Choi, Kyu-Yong;Han, Byung-Hee;Kang, Sung-Kwon;Sung, Chang-Keun;Kang, Sang-Ook;Suh, Il-Hwan
    • Korean Journal of Crystallography
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    • v.15 no.1
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    • pp.1-4
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    • 2004
  • The title compound, $C_{18}H_{20}O_5S$, crystallized in the centrosymmetric space group $P\={1}$ with one molecule in an asymmetric unit. The S atom in the sulfonate group retains the overall tetrahedral environment of the O and C atoms with an average S-O bond of 1.420(2) ${\AA}$ for double bond and of 1.598(2) ${\AA}$ for single bond and S-C length of 1.742(3) ${\AA}$. The torsion angle C(7)-S-O(3)-C(8) is 100.3(2)$^{\circ}$ and the dihedral angle of the two planar six-membered rings is 42.73(20)$^{\circ}$.

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.

CO-SEPARATION OF Am AND RARE EARTH ELEMENTS FROM A HIGHLY ACIDIC RADWASTE SOLUTION BY A SOLVENT EXTRACTION WITH (DIMETHYLDIBUTYL TETRADECYLMALONAMIDE-DIHEXYLOCTANAMIDE)/N-DODECANE

  • Lee, Eil-Hee;Lim, Jae-Gwan;Chung, Dong-Yong;Yoo, Jae-Hyung;Kim, kwang-Wook
    • Nuclear Engineering and Technology
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    • v.41 no.3
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    • pp.319-326
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    • 2009
  • This study was carried out to investigate the high-acidity co-separation of Am and RE from a simulated radwaste solution by a solvent extraction using a mixture of Dimethyldibutyltetradecylmalonamide (DMDBTDMA, as an extractant) and dihexyl octanamide (DHOA, as a phase modifier) diluted with n-dodecane (NDD). All the experiments were conducted as a batch type. First, the environmentally friendly DMDBTDMA and DHOA composed of only CHON atoms were self-synthesized. Then, the conditions for the prevention of a third phase, generated in the organic phase were examined. In addition, the effects of the concentration of nitric acid, DHOA, oxalic acid and $H_2O_2$ on the co-extraction of Am and RE were elucidated. Consequently, the optimum condition of (0.5M DMDBTDMA+0.5M DHOA)/NDD-0.3M $C_2H_2O_4-4.5M$ $HNO_3$ and O/A=2 was obtained through experimental work. Under this condition, the extraction yields were found to be about 80% for Am, more than 70% for RE such as La, Eu, Nd, Ce, etc., 3% for Cs and Sr, 69% for Fe and less than 11% for Mo and Ru. For the co-extraction of Am and RE, Fe should be removed in advance or prevented from a co-extraction with Am by controlling the different extraction rates of Am and Fe. About 95% of the Am and RE in the organic phase were stripped using a 0.5M $HNO_3$.

Effect of Carbon dioxide in Fuel on the Performance of PEM Fuel Cell (연료중의 이산화탄소 불순물에 의한 연료전지 성능변화 연구)

  • Seo, Jung-Geun;Kwon, Jung-Taek;Kim, Jun-Bom
    • 한국신재생에너지학회:학술대회논문집
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    • 2007.11a
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    • pp.184-187
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    • 2007
  • Hydrogen could be produced from any substance containing hydrogen atoms, such as water, hydrocarbon (HC) fuels, acids or bases. Hydrocarbon fuels couold be converted to hydrogen-rich gas through reforming process for hydrogen production. Even though fuel cell have high efficiency with pure hydrogen from gas tank, it is more beneficial to generate hydrogen from city gas (mainly methane) in residential application such as domestic or office environments. Thus hydrogen is generated by reforming process using hydrocarbon. Unfortunately, the reforming process for hydrogen production is accompanied with unavoidable impurities. Impurities such as CO, $CO_2$, $H_2S$, $NH_3$, and $CH_4$ in hydrogen could cause negative effects on fuel cell performance. Those effects are kinetic losses due to poisoning of electrode catalysts, ohmic losses due to proton conductivity reduction including membrane and catalyst ionomer layers, and mass transport losses due to degrading catalyst layer structure and hydrophobic property. Hydrogen produced from reformer eventually contains around 73% of $H_2$, 20% or less of $CO_2$, 5.8% of less of $N_2$, or 2% less of $CH_4$, and 10ppm or less of CO. Most impurities are removed using pressure swing adsorption (PSA) process to get high purity hydrogen. However, high purity hydrogen production requires high operation cost of reforming process. The effect of carbon dioxide on fuel cell performance was investigated in this experiment. The performance of PEM fuel cell was investigated using current vs. potential experiment, long run (10 hr) test, and electrochemical impedance measurement when the concentrations of carbon dioxide were 10%, 20% and 30%. Also, the concentration of impurity supplied to the fuel cell was verified by gas chromatography (GC).

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Analysis of FTIR Spectra in Organic Inorganic Hybrid Type SiOC Films (유무기 하이브리드 SiOC 박막의 화학적 이동에 대한 FTIR 스펙트라 분석)

  • Oh Teresa
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.42 no.6 s.336
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    • pp.17-22
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    • 2005
  • Organic-inorganic hybrid type thin films are the next generation candidates as low-k materials. SiOC films are analyzed the bonding structure by the red and blue chemical shift using the fourier transform infraredspectra. Conventional chemical shift of organic chemistry is a red shift, but hybrid type SiOC films were observed the red and blue shift. The chemical shift originates from the interaction between the C-H bond and high electronegative atoms, and the blue shift in SiOC films is caused by the porosity due to the increase of the electron rich group such as much methyl radicals. The bonding structures of SiOC films are also divided into the Si-O-C cross-link structure and the Si-O-C cage-link structure due to the chemical shifts. The Si-O-C cross-link structure progressed the adhesion attributed to the C-H bond elongation in the reason of the red shift, and the dielectric constant also decreases.

미생물을 이용한 아라키돈산의 생산기술 개발

  • Park, Chang-Yeol;Hwang, Byeong-Hui;Yu, Yeon-U;Park, Jang-Seo
    • 한국생물공학회:학술대회논문집
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    • 2002.04a
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    • pp.91-94
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    • 2002
  • Arachidonic acid is a polyunsaturated fatty acid(PUFA) containing twenty carbon atoms with four double bonds. The family of w-6 PUFA, including arachidonic acid as well as r-linoleic acid, was served as intermediates in the formation of several key prostaglandin and leukotrienes. Several fungal strains of the genus Mortierella accumulate high amounts of arachidonic acid. In this study experiments were carried out to optimize the culture conditions for the mass production of fungus Mortierella alpina DSA -12 and lipid production with high proportion of polyunsaturated fatty acids, especially arachidonic acid. The batch culture was carried out in 500 L fermenter containing 50 g/L glucose, 18 g/L corn-steep powder and 100 mg/L MnS04 under $25^{\circ}C$, aeration rate of 0.5 vvm and agitation speed of 200 rpm without pH control. As a result, we could be obtained 22 g/L of cell mass with high contents of lipid 12.1 g/L) and arachidonic acid (5.1 g/L) The intermittent fed-batch culture was performed in the medium containing 20 g/L glucose and 10 g/L corn-steep powder. The final glucose concentration was 170 g/L and pH was maintained at 5.5 ${\sim}$ 6.0 by adding 14% ammonia solution. It was shown relatively high cell concentration (70.5 g/L) with high contents of lipid (45.8 g/L) and arachidonic acid 08.3 g/L). Therefore, when compared to batch cultures, the high concentration of arachidonic acid could be obtained by fed-batch culture using M. alpina DSA -12. These results imply that the fed-batch culture of M. alpina DSA -12 was feasible in industrial purpose and could be employed in the commercial production of arachidonic acid.

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Study of Complex Formation of Dioxouranium(VI) Ion with Nitrate Ion by 17O NMR Spectroscopy (산소-17 핵자기공명분광법을 이용한 디옥소우라늄(VI) 이온의 질산 이온과의 착물형성에 관한 연구)

  • Jung, Woo-Sik
    • Applied Chemistry for Engineering
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    • v.3 no.2
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    • pp.312-317
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    • 1992
  • The interaction of dioxouranium(VI) (uranyl) ion with nitrate ion has been studied by $^{17}O$ NMR spectroscopy. The $^{17}O$ resonance of uranyl oxygen atoms(uranyl oxygens hereafter) of $UO_2NO_3{^+}$ was at lower field than that of uranyl ion. The stability constants of $UO_2NO_3{^+}$ were obtained from the variation of $^{17}O$ chemical shifts with nitrate-ion concentration at 5, 15, 25, $35^{\circ}C$ and depend on the ionic strength. Thermodynamic parameters calculated from temperature dependence of the stability constants were as follows : ${\Delta}H=-(27.2{\pm}1.7)kJ\;mol^{-1}$ and ${\Delta}S=-(110{\pm}7)JK^{-1}mol^{-1}$. There was a linear relationship between the enthalpy and entropy for 1:1 complex formation of the uranyl ion with a variety of anionic ligands.

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Study on the Isomerization Reaction of Tetrahydrodicyclopentadiene, Tetrahydrodi(methylcyclopentadiene) Using Heteropolyacid Catalyst (헤테로폴리산 촉매를 이용한 Tetrahydrodicyclopentadiene 및 Tetrahydrodi(methylcyclopentadiene)의 이성화반응 연구)

  • Jeong, Byung Hun;Han, Jeong Sik;Kim, Seong Bo;Kang, Cheol Han;Lee, Bum Jae
    • Applied Chemistry for Engineering
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    • v.18 no.1
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    • pp.36-40
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    • 2007
  • The study on the isomerization reaction of endo-tetrahydrodicyclopentadiene and endo-tetrahydrodi(methylcyclopentadiene) using heteropolyacid catalyst was carried out. Exo compound was prepared from endo compound through isomerization reaction. To improve the problem of aluminum chloride as an isomerization catalyst, application of heteropolyacid was attempted. In use of Keggin type heteropolyacid, catalytic activity was extremely high at cesium substitution instead of 2.5 hydrogen atoms of $H_3PW_{12}O_{40}$. Using the cesium substituted heteropolyacid, isomerization reaction rate was faster than aluminum chloride and the effect of reaction temperature and times on reactivities were compared in isomerization of tetrahydrodicyclopentadiene and tetrahydrodi(methylcyclopentadiene).

Preparation and Characterization of Fluoroacrylate Copolymer by Emulsion Polymerization (유화 중합법에 의한 불소아크릴레이트 공중합체 제조)

  • 김동옥;김지현
    • Polymer(Korea)
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    • v.27 no.6
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    • pp.528-535
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    • 2003
  • The effects of surfactants, organic solvents, and functional monomers on the emulsion polymerization of perfluoroalkyleoylacryaltes and n-alkylacrylates were investigated. In particular, the dependence of the surface properties, contact angle and water repellency on the crystal melting temperature (T$\_$m/) of the fluorocopolymer and the variation of polymer latex particle sizes was investigated. Using WAXD experiments and synthesizing different types of fluorocopolymers which have fallowing fluoroacrylaytes [CH$_2$=CHCO$_2$CH,$_2$(CF$_2$CF$_2$) nH] (n = 4, 5 or 6), the relationship between the molecular packing structure of pendent side groups of fluorocopolymers and the surface properties was also investigated. We observed that the structure of primary carbon atoms of pendent side groups of fluorocopolymers plays key role in determining the surface properties.s.

Molecular Holographic QSAR Analysis on the Bonding Affinity Constants between Nicotin Acetylcholine Receptors and New 3-Benzylidenemyosmine Analogues and Molecular Design (새로운 3-Benzylidenemyosmine 유도체와 Nicotin Acetylcholine 수용체 사이의 결합 친화력 상수에 관한 HQSAR 분석과 분자설계)

  • Jang, Seok-Chan;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.50 no.2
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    • pp.127-131
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    • 2007
  • The molecular design and holographic (H) quantitative structure-activity relationships (HQSARs) on the binding affinity constants between new 3-benzylidenemyosmine analogues and nicotin acetylcholine receptors (nAChRs) of American cockroach (Periplaneta. americana L.) were studied quantitatively. The optimized HQSAR model (IV-2) for the binding affinity constants was derived from fragment distinction of hydrogene atoms in fragment size, 5${\sim}$8 bin. The statistical results of the HQSAR model (IVI-2) exhibited the best predictability and fitness for the binding affinity constants based on the cross-validated value (q$^2$=0.507) and non cross-validated value (r$^2_{nev.}$=0.944). From the graphical analyses of atomic contribution maps, it was revealed that the binding affinity constants depends upon the anabaseine ring in molecule and the most active compounds were designed by optimized HQSAR model (VI-2).