• Title/Summary/Keyword: H9N3

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Epr Spectra of $\alpha$-1,2,3-$[H_{n}PV(IV)V_{2}W_{9}O_{40}]^{(7-n)-}$(n = 1, 2 or 3). The Effects of Protonation on the Electron Transfer Rate

  • Lee, Chul-Wee;So, Hyun-Soo;Lee, Kyu-Ryong
    • Bulletin of the Korean Chemical Society
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    • v.7 no.2
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    • pp.108-110
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    • 1986
  • The solution epr spectra of ${\alpha}-1,2,3-[H_nPV(IV)V_2W_9O_{40}]^{(7-n)-}$were measured at various pH and three protonated species have been identified. The spectrum of $H_3PV(IV)Ⅴ_2$ consisting of 8 lines indicates that the V-OH-V bridge prevents effectively the electron transfer between the vanadium atoms. The spectrum of $H_2PV(IV)V_2$ consisting of 15 lines can be interpreted by assuming that the electron is hopping fast between the two vanadium atoms in the V-O-V sequence. The multi-line spectrum of $HPV(IV)V_2$ is interpreted as a poorly resolved 43-line spectrum which originates from the electron hopping among the three vanadium atoms with the forward and backward transition probabilities of 4:1 in the OH-V-O-V sequence.

Molybdenum(Ⅴ)-Oxo Complexes with Oxygen, Nitrogen and Sulfur Donors. Synthesis, Spectral and Electrochemical Properties (산소, 질소, 그리고 황 주개 원자의 몰리브덴(Ⅴ)-산소 착물 합성과 분광학적 및 전기화학적 성질)

  • Kim, Hee-Jung;Koo, Bon-Kweon
    • Journal of the Korean Chemical Society
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    • v.39 no.6
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    • pp.434-439
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    • 1995
  • Six-coordinate molybdenum(Ⅴ)-oxo complexes, (R4N)[MoO(NCS)2L](R=CH3, C2H5, n-C4, H9) with S-methyl-3-(2-hydroxy-x-phenyl)methylenedithiocarbazate(L1: x=5-H) and its derivatives (L2:x=5-CH3, L3: x=3-CH3O, L4: x=5,6-C4H4 and L5: x=5-NO2) have been synthesized and the structural, spectral and electrochemical properties of the complexes have been characterized by elemental analysis, molar conductivity, UV-Vis, IR, 1H NMR, and CV (cyclic voltammetry).

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A Study on Landfill Leachate Treatment by Reduced Pressure Evaporation. (감압증발법을 이용한 매립장 침출수 처리에 관한 연구)

  • 문추연;은종극;이태호
    • Journal of environmental and Sanitary engineering
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    • v.12 no.3
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    • pp.73-79
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    • 1997
  • This research was intended as an investigation of applying Reduced Pressure Evaporation as efficient treatment method for landfill leachate. According to the variance of time, temperature, pressure and pH in experiments, the properties of leachate treatment are follows. The removal efficiencies of COD, NH$_{3}$-N, TOC, Conductivity and SS on the basis of reaction time was 96.4%-97.5%, -1.4%-53.7%, 81.7%-89.0%, 92.0%-95.3% and 99.86%-99.97%, respectively. When the pH of Influent was 7.5, the pH of effluent was increased to 10-11 with time elapse. It is concluded that the orgin of pH increase may be ammonia. When the properties of concentrate were investigated at the concentration ratio 90%(V/V), concentration difficiency represented in the ratio of experimental value/calculated value had following orders ; COD>TOC>NH$_{3}$-N>Conductivity>SS. Concentrate had good precipitation because of additive thermal treatment in the process. When evaporation experiments with pH adjustment of 4.0, 6.0, 7.5, 9.0 and 10.0 were performed ; Acidic evaporation experiments(pH 4.0, 6.0) showed low removal efficiency(81.6, 87.6%) of COD and high removal efficiency (97.5%. 84.6%) of NH$_{3}$-N at initial evaporation. Basic evaporation(pH 9.0, 10.0) showed high removal efficiency (97.2%, 98.9%) of COD and very low removal efficiency (-7.4%, -27.2%) of NH$_{3}$-N at initial evaporation.

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Crystal structure of 1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind (1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind의 결정구조해석)

  • 조소라;김문집
    • Korean Journal of Crystallography
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    • v.6 no.1
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    • pp.27-35
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    • 1995
  • The crystal structure of 1-tert-butoxycarbonyl-4-[N-(tert-butoxycarbonyl)-N-(ethoxycarbonylmethyl)amino]-3-phenylsulfonylpyrrolidind [C24H36O8N2S] has been from single crystal x-ray diffraction study ; C24H36O8N2S triclinic, p1, a=11.363(8)Å, b=11.589(6)Å, c=11.013(10)Å,α=95.32(6)°,β=98.64(7)°,γ=79.57(5)°,V=1406.8(18)Å3, t=293K, Z=2, CuKα(λ=1.5418Å). The molecular structure was solved by diredt method and refined by full-matrix least squares to a final R=9.78% for 3621 unique observed [F≥4σ(F)] reflections and 703 paramenters.

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The Roles of Hydrogen Bonds in 2,9-(N,N-Dimethylethylenediaminomethyl)-1,10-phenanthroline Molecule as a New Ligand Compound of Artificial DNase (인공 DNase의 리간드 화합물로써 2,9-(N,N-Dimethylethylenediaminomethyl)-1,10-phenanthroline 분자내 수소결합들의 역할)

  • Sung, Nack-Do;Park, Kyeng-Yong
    • Applied Biological Chemistry
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    • v.48 no.4
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    • pp.326-330
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    • 2005
  • In the catalytic hydrolysis of 2',3'-cAMP by the Cu(II) complexes of 2,9-(N,N-dimethylethylenediamino)-1,10-phenanthroline (A) and 2,9-(N,N-dimethylethylenediaminomethyl)-1,10-phenanthroline (B) that are designed as a new ligand molecule of artificial DNase, due to the four intramolecular H-bonds forming between amino groups of ligand molecule and phosphoryl group of 2',3'-cAMP. It is anticipated that Cu(II) complexes of (A) and (B) are able to promote a rate that is as much as seventy thousand times faster than the catalytic hydrolysis rate of 2',3'-cAMP by Cu(II) complexes of 2,9-dimethyl-o-phenanthroline.

The characteristics of chloramine formation and decay with pH variation (pH 변화에 따른 클로라민 생성과 분해 특성)

  • 조관형;김평청;우달식;조영태
    • Journal of Environmental Science International
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    • v.11 no.4
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    • pp.347-353
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    • 2002
  • This study was conducted to investigate the characteristics of chloramination as a secondary disinfection in a drinking water distribution system. At the range from pH 6 to pH 8, monochloramine was predominant with a trace of dichloramine, and the free chlorine was detected after breakpoint. At $25^{\circ}C$, the breakpoints of pH 6, 7 and 8 appeared when the weight ratios of chlorine to ammonia nitrogen were 11:1, 9:1 and 10:1 respectively, and the peak points on the breakpoint curves at pH 6, 7 and 8 were in the Cl$_2$ / NH$_3$-N ratio of 9:1, 6:1 and 5:1 respectively. As pH increased from 6 to 8, maximum point of monochloramine on the breakpoint curve was moved from 7:1 to 5:1 in the weight ratio of chlorine to ammonia nitrogen. The maximum concentration of monochloramine was formed at the pH values of 7~8 and in the Cl$_2$ / NH$_3$-N ratio below 5:1. As the Cl$_2$/NH$_3$-N ratio increased and the pH lowered, chloramines decay proceeded at an increased rate, and residual chloramines lasted longer than the residual free chlorine. The monochloramine and the dichloramine were formed at pH 6, and then the dichloramine continued increasing with contact time.

[ $C_{28}H_{41}N_4O_4Br\;{\cdot}\;2H_2O$ ] (C_{28}H_{41}N_4O_4Br\;{\cdot}\;2H_2O$의 결정구조)

  • Kim Moon-Jib;Lee Jung-Ah;Jo Kyung-Jin;Choi Ki-Young
    • Korean Journal of Crystallography
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    • v.15 no.2
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    • pp.93-98
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    • 2004
  • The structure of C_{28}H_{41}N_4O_4Br\;{\cdot}\;2H_2O$ has been determined by X-ray deffraction methods. The crystal system is triclinic, space group Pl, unit cell constants, a=9.000(1) $\AA$, b=9.312(3) $\AA$, c=9.344(2) $\AA$, $\alpha=89.37(20)^{\circ},\;\beta=68.81(3)^{\circ},\;\gamma=84.70(4)^{\circ},\;V=726.7(8){\AA},\;T=298K,\;Z=1,\;D_c=1.402Mgm^{-3}$. The intensity data were collected on an Enraf-Nonius CAD4 Diffractometer with graphite monochromated $MoK\alpha$ radiation $(\lambda=0.71073\;{\AA}$. The molecular structure was solved by direct methods and refined by full-matrix least squares to a final $R=5.95\%$ for 2521 unique observed $F_0>4\sigma(F_0)$reflections and 370 parameters.

Synthesis of Novel 6,7,8,9-Tetrahydro-5H-5-hydroxyphenyl-2-benzylidine-3-substituted Hydrazino Thiazolo (2,3-b) Quinazoline as Potent Antinociceptive and Anti-inflammatory Agents

  • Selvam, T. Panneer;Kumar, P. Vijayaraj
    • Bulletin of the Korean Chemical Society
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    • v.31 no.11
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    • pp.3265-3271
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    • 2010
  • A series of 6,7,8,9-tetrahydro-5H-5-hydroxyphenyl-2-benzylidine-3-substituted hydrazino thiazolo (2,3-b) quinazolines have been synthesized to meet the structural requirements essential for anti-inflammatory and antinociceptive properties. The synthesized series of heterocycles, 6,7,8,9-tetrahydro-5H-5-hydroxyphenyl-2-benzylidine-3-substituted hydrazino thiazolo (2,3-b) quinazoline by the reaction of 6,7,8,9-tetrahydro-5H-5-hydroxy phenyl thiazolo (2,3-b) quinazolin-3(2H)-one with appropriate hydrazine hydrate and ketones/aldehydes in the presence of anhydrous sodium acetate and glacial acetic acid as presented in Scheme 1. Their antinociceptive activity were evaluated by tailflick technique, anti-inflammatory was evaluated by carrageenan-induced paw edema test and their ulcerogenicity index determined by reported protocol. The compounds exhibited the lowest ulcer index ($0.51{\pm}1.63$, $0.48{\pm}1.28$ and $0.50{\pm}1.53$, respectively. The 6,7,8,9-tetrahydro-5H-5-hydroxy phenylhydroxy-2-benzylidine-3-(N'-3-pentylidenehydrazino) thiazolo (2,3-b) quinazoline and 6,7,8,9-tetrahydro-5H-5-hydroxy phenyl-2-benzylidine-3-(N'-2-pentylidene-hydrazino) thiazolo (2,3-b) quinazoline exhibited the most potent antinociceptive and anti-inflammatory activities.

Theoretical Approach for the Structures, Energetics and Spectroscopic Properties of (H2O3)n (n = 1-5) Clusters

  • Seo, Hyun-Il;Bahng, Jin-Ah;Kim, Yeon-Cheol;Kim, Seung-Joon
    • Bulletin of the Korean Chemical Society
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    • v.33 no.9
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    • pp.3017-3024
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    • 2012
  • The geometrical parameters, vibrational frequencies, and binding energies for $(H_2O_3)_n$ (n = 1-5) have been investigated using various quantum mechanical techniques. The possible structures of the clusters (n = 2-5) are fully optimized and the binding energies are predicted using energy differences at each optimized geometry. The harmonic vibrational frequencies are also determined and zero-point vibrational energies (ZPVEs) are considered for the better prediction of the binding energy. The best estimation of the binding energy for the dimer is 8.65 kcal/mol. For n = 2 and 3, linear structures with all trans forms of the HOOOH monomers are predicted to be the lowest conformations in energy, while the cyclic structures with all cis-HOOOH monomers are preferable structures for n = 4 and 5.

The Molecular and Crystal Structure of tricyclazole, $C_9H_7N_3S$ (Tricyclazole, $C_9H_7N_3S$ 의 분자 및 결정구조)

  • Keun Il Park;Young Kie Kim;Sung Il Cho;Man Hyung Yoo
    • Korean Journal of Crystallography
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    • v.13 no.3_4
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    • pp.152-157
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    • 2002
  • The molecular and crystal structure of Tricyclazole, C/sub9/H/sub7/N₃S, has been determined by single crystal x-ray diffraction study. Crystallographic data for title compound: Pca2₁, a=14.889(1) Å, b=7.444(1) Å, c=15.189(2) Å, V=1683.3(3) ų, Z= 8. The molecular structure model was solved by direct methods and refined by full-matrix least-squares. The final reliable factor, R, is 0.047 for 1533 independent reflections (F/sub o//sup 2/)). The asymmetry unit contains two molecules which are in plate conformation, parallel to each other and related by a pseudo four-fold screw on the b-direction.