• Title/Summary/Keyword: Ortho-Para

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The Effect of Functional Group Position of the Piperidine Derivatives on the CO2 Absorption Characteristics in the (H2O-Piperidine-CO2) System ((H2O-Piperidine-CO2) system에서 piperidine 유도체의 작용기 위치에 따른 이산화탄소 흡수특성 연구)

  • Choi, Jeong Ho;Yun, Soung Hee;Kim, Yeong Eun;Yoon, Yeo Il;Nam, Sung Chan
    • Korean Chemical Engineering Research
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    • v.53 no.1
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    • pp.57-63
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    • 2015
  • Absorption characteristics of 2-methylpiperidine (2MPD), 3-methylpiperidine (3MPD) and 4-methylpiperidine (4MPD) absorbents were studied by a vapor-liquid equilibrium (VLE) apparatus and a differential reaction calorimeter (DRC). Using a VLE apparatus, the $CO_2$ loading capacity of each absorbent was estimated. After reaching the absorption equilibrium, nuclear magnetic resonance spectroscopy (NMR) had been conducted to characterize the species distribution of the ($H_2O$-piperidine-$CO_2$) system. Using a DRC, the reaction of heat was confirmed in accordance with the absorption capacity. The unique characteristics of 2MPD, 3MPD and 4MPD absorbents appeared by the position of methyl group. The 2MPD possessing the methyl group at the ortho position showed its hindrance effect during the absorption process; however, piperidine derivatives possessing the meta position and para position did not show its characteristics in $H_2O$-piperidine-$CO_2$ system.

2, 4, 5-Trichlorophenoxyacetic Acid 분해균의 유전적 특성에 관한 연구

  • Yoon, So-Yeong;Son, Hong-Joo;Lee, Geon;Lee, Sang-Joon;Lee, Jong-Kun
    • Korean Journal of Microbiology
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    • v.30 no.4
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    • pp.260-264
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    • 1992
  • Pseudotnorju.c sp. EL-071P degrading 2.4.5-trichlorophe~~oxyi~cetaicci d (2.3.5-T) was resistantto antibiotics: rifampicin. ampicillin. kanamycin and metal ions : Zn" and Cu".The plasmitl related to the degradation of 2.4.5-'r and rifa~npicin resistance was isolatecifrom the strain. Its size was about 40 Kb. As result of transforming the plasmid intoEsch~rirhiti coli MClOhl, it was confirmed that the plasmid ura.; related to 2.4.5-T degradation.The strain coulil grow in the various chlorinated aromatic analogs as the solc carbon source.In the case of chlorophcnols. the chlorinated mono-substituteti phenols were easily dcgradetlin the order ol' ortho-. ~ ~ a r um- ,c ~tu-position.T he 2.3.5-T mctaholism was inhibited by 4-chlorophenol of 2.4.5-7' analog. In non-chlorinateci aromatics. ~ C I I L O ~ I ~ Csa.l icylilte i~ndtoluene were uscd ax the carbon source by the strain and typestrain Acudonlotrtr.\ plrtirltrKCTC 1643 having clegrad;~bility of various aromatics. But naphtalene was usecl only bythe A~urlomonri.\ sp. EL-07 1 P.the A~urlomonri.\ sp. EL-07 1 P.

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Removal of TNT Reduction Products via Oxidative-Coupling Reaction Using Manganese Oxide (망간산화물을 이용한 TNT 환원부산물의 산화-결합반응에 의한 제거 연구)

  • Kang, Ki-Hoon;Lim, Dong-Min;Shin, Hyun-Sang
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.5
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    • pp.476-485
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    • 2005
  • In this study, abiotic transformation of TNT reduction products via oxidative-coupling reaction was investigated using Mn oxide. In batch experiments, all the reduction products tested were completely transformed by birnessite, one of natural Mn oxides present in soil. Oxidative-coupling was the major transformation pathway, as confirmed by mass spectrometric analysis. Using observed pseudo-first-order rate constants with respect to birnessite loadings, surface area-normalized specific rate constants, $k_{surf}$, were determined. As expected, $k_{surf}$ of diaminonitrotoluenes (DATs) ($1.49{\sim}1.91\;L/m^2{\cdot}day$) are greater about 2 orders than that of dinitroaminotoluenes (DNTs) ($1.15{\times}10^{-2}{\sim}2.09{\times}10^{-2}\;L/m^2{\cdot}day$) due to the increased number of amine group. In addition, by comparing the value of $k_{surf}$ between DNTs or DATs, amino group on ortho position is likely to be more preferred for the oxidation by birnessite. Although cross-coupling of TNT in the presence of various mediator compounds was found not to be feasible, transformation of TNT by reduction using $Fe^0$ followed by oxidative coupling using Mn oxide was efficient, as evaluated by UV-visible spectrometry.

Dechlorination of Individual Congeners in Aroclor 1248 as Enhanced by Chlorobenzoates, Chlorophenols, and Chlorobenzenes

  • Kim, Jong-Seol;Cho, Young-Cheol;Frohnhoefer, Robert C.;Rhee, G-Yull
    • Journal of Microbiology and Biotechnology
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    • v.18 no.10
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    • pp.1701-1708
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    • 2008
  • Previous investigations showed that three classes of haloaromatic compounds (HACs; chlorobenzoates, chlorophenols, and chlorobenzenes) enhanced the reductive dechlorination of Aroclor 1248, judging from the overall extent of reduction in CI atoms on the biphenyl. In the present study, we further investigated the kind of polychlorinated biphenyl (PCB) congeners involved in the enhanced dechlorination by four isomers belonging to each class (2,3-, 2,5-, 2,3,5-, and 2,4,6-chlorobenzoates; 2,3-, 3,4-, 2,5-, and 2,3,6-chlorophenols; and 1,2-, 1,2,3-, 1,2,4-, and penta-chlorobenzenes). Although the PCB congeners involved in the enhanced dechlorination varied with the HACs, the enhancement primarily involved para-dechlorination of the same congeners (2,3,4'-, 2,3,4,2'-plus 2,3,6,4'-, 2,5,3',4'- plus 2,4,5,2',6'-, and 2,3,6,2',4'-chlorobiphenyls), regardless of the HACs. These congeners are known to have low threshold concentrations for dechlorination. To a lesser extent, the enhancement also involved meta dechlorination of certain congeners with high threshold concentrations. There was no or less accumulation of 2,4,4'- and 2,5,4'-chlorobiphenyls as final products under HAC amendment. Although the dechlorination products varied, the accumulation of ortho-substituted congeners, 2-, 2,2'-, and 2,6-chlorobiphenyls, was significantly higher with the HACs, indicating a more complete dechlorination of the highly chlorinated congeners. Therefore, the present results suggest that the enhanced dechlorination under HAC enrichment is carried out through multiple pathways, some of which may be universal, regardless of the kind of HACs, whereas others may be HAC-specific.

Synthesis and Characterization of Chelated Polymers of Polyhydrazones (폴리히드라존계 킬레이트 고분자의 합성과 특성)

  • Kong Soo Kim;Yong Woo Lee;Doo Hee Lee
    • Journal of the Korean Chemical Society
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    • v.29 no.5
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    • pp.543-551
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    • 1985
  • A new class of polyhydrazones has been synthesized by the solution polycondensation from equimolecular amounts of aromatic dialdehydes such as para, meta, ortho-phthal aldehyde, 5,5'-methylene-bis-salicyl aldehyde (PPTA, MPTA, OPTA, MBSA) and dihydrazides, 5,5'-methylene-bis-salicylic dihydrazide (MBSDH), terephthalic dihydrazide (TDH), sebacic dihydrazide (SDH) in DMF-$CH_3COOH$ solution. The solubility characteristics, spectral, and thermal properties of the synthesized polyhydrazones and their metal chelates were also studied. These polyhydrazones and their metal chelates except the polyhydrazone prepared from OPTA-MBSDH were generally insoluble in common organic solvents. The thermogravimetric analysis of polyhydrazones showed 10% weight losses at 250∼350$^{\circ}$C and residual weight at 500$^{\circ}$C were 32.5∼62.5%. The decomposition temperature of higher relatively, and the metal chelates decrease in the following orders; Zn(II)-IIa > Ni(II)-IIa > Co(II)-IIa > Cu(II)-IIa.

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Water vapor in high-mass star-forming regions and PDRs: the Herschel/HIFI view

  • Choi, Yunhee;van der Tak, Floris F.S.;van Dishoeck, Ewine F.;Bergin, Edwin A.
    • The Bulletin of The Korean Astronomical Society
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    • v.40 no.2
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    • pp.42.2-43
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    • 2015
  • Massive stars play a major role in the interstellar energy budget and the shaping of the galactic environment. The water molecule is thought to be a sensitive tracer of physical conditions and dynamics in star-forming regions because of its large abundance variations between hot and cold regions. Herschel/HIFI allows us to observe the multiple rotational transitions of H2O including the ground-state levels, and its isotopologues toward high-mass star-forming regions in different evolutionary stages. Photodissociation regions (PDRs) are also targeted to investigate the distribution of water and its chemistry. We present line profiles and maps of H2O using data from two guaranteed-time key programs "Water In Star-forming regions with Herschel" and "Herschel observations of EXtra-Ordinary Sources". We analyze the temperature and density structures using LTE and non-LTE methods. We also estimate turbulent and expansion velocities, and abundance of water in the inner and outer envelopes using the 1D radiative transfer code. Around high-mass protostars we find H2O abundances of ~10-8-10-9 for the outer envelope and ~10-4-10-5 for the inner envelope, and expansion and turbulent velocities range from 1.0 km s-1 to 2.0 km s-1. The abundances and kinematic parameters of the sources do not show clear trends with evolutionary indicators. The Herschel/HIFI mapping observations of H2O toward the Orion Bar PDR show that H2O emission peaks between the shielded dense gas and the radicals position, in agreement with the theoretical and the observational PDR structure. The derived H2O abundance is ~10-7 and peaks at the depth of AV ~8 mag from the ionization front. Together with the low ortho-to-para ratio of H2O (~1) presented by Choi et al. (2014), our results show that the chemistry of water in the Orion Bar is dominated by photodesorption and photodissociation.

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Electronic Properties and Conformation Analysis of π-Conjugated Distyryl Benzene Derivaties

  • Kim, Cheol-Ju
    • Bulletin of the Korean Chemical Society
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    • v.23 no.2
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    • pp.330-336
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    • 2002
  • A quantum-chemical investigation on the conformations and electronic properties of bis[2-{2-methoxy-4,6-di(t-butyl)phenyl}ethenyl]benzenes (MBPBs) as building block for ${\pi}$-conjugate polymer are performed in order to display the effects of t-butyl and methoxy group substitution and of kink(ortho and meta) linkage. The conjugation length of the polymers can be controlled by substituents and kink linkages of backbone. Structures for the molecules, o-, m-, and p-MBPBs as well as unsubstituted o-, m-, and p-DSBs were fully optimized by using semiempirical AM1, PM3 methods, and ab initio HF method with 3-21G(d) basis set. The potential energy curves with respect to the change of single torsion angle are obtained by using semiempirical methods and ab initio HF/3-21G(d) basis set. The curves are similar shape in the molecules with respect to the position of vinylene groups. It is shown that the conformations of the molecules are compromised between the steric repulsion interaction and the degree of the conjugation. Electronic properties of the molecules were obtained by applying the optimized structures and geometries to the ZINDO/S method. ZINDO/S analysis performed on the geometries obtained by AM1 method and HF/3-21G(d) level is reported. The absorption wavelength on the geometries obtained by AM1 method is much longer than that by HF/3-21G(d) level. The absorption wavelength of MBPBs are red shifted with comparison to that of corresponding DSBs in the same torsion angle because of electron donating substituents. The absorption wavelength of isomers with kink(orth and meta) linkage is shorter than that of para linkage.

Catalytic Hydrogen Transfer Reduction of Aromatic Nitro Compounds with 4-Vinylcyclohexene (4-비닐시클로헥센을 이용한 방향족 니트로 화합물의 환원반응)

  • Kim, Hong-Seok;Kim, Dong Il;Kim, Cheong-Sig;Joo, Young Je
    • Applied Chemistry for Engineering
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    • v.5 no.5
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    • pp.871-877
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    • 1994
  • Most of the aromatic nitro compounds were reduced to amines in high yield by transfer of hydrogen from 4-vinyl cyclohexene to the substrate via palladium catalyst. The usefulness of the method is not affected by the presence of a variety of other functional groups such as -OH, $-OCH_3$, $-CH_3$, $-CO_2H$, and -Cl, except for halogen which is removed during hydrogenation. The reduction of ortho-substituted nitrobenzene such as o-nitrotoluene, o-nitrophenol, o-nitroanisole was slower than the para isomer. Typically, the nitro compound is refluxed in ethanol with a large exess of 4-vinylcyclohexene in the presence of Pd-C catalyst. Under the above conditions, p-nitrobenzaldehyde, p-nitrobenzyl alcohol, and p-nitrobenzyl acetate were reduced to p-toluidine.

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The Farnesyl Protein Transferase Inhibition Activity of Chalcone Derivatives (Chalcone 유도체의 Farnesyl Protein Transferase 저해활성)

  • Yu, Seong-Jae;Myung, Pyung-Keun;Kwon, Byung-Mok;Lee, Seung-Ho;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.42 no.3
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    • pp.252-255
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    • 1999
  • Inhibition activities$(pI_{50})$ of chalcone derivatives as substrate with farnesyl protein transferase(FPTase) were determined in vitro. The structure activity relationships(SAR) between the activity and physicochemical parameters of X & Y-substituents on the phenyl groups were analyzed by Free-Wilson and Hansch method. X-substituents on the benzoyl group have the more important role to inhibition activity than Y-substituents on the styryl group. Among them, none substituent, 8 showed the highest FPTase inhibition activity$(pI_{50}=4.30)$. Particularly, the SAR equation could be formulated, showing a parabolic relationship between the activity and hydrophobicity(logP) where the optimal value$({\Sigma}logP)_{opt}$ was 3.915. And also the activity depends on the steric effect(Es > 0) with X-substituent and the resonance effect(R < 0) with electron donating Y-substituents. Based on the results of SAR analyses, the interactions between substrates and receptor, FPTase, could be assumed.

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Design and Operation of a Small-Scale Hydrogen Liquefier (소형 수소액화기 설계 및 운전에 관한 연구)

  • Baik, Jong Hoon;Karng, Sarng Woo;Kang, Hyungmook;Garceau, Nathaniel;Kim, Seo Young;Oh, In-Hwan
    • Transactions of the Korean hydrogen and new energy society
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    • v.26 no.2
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    • pp.105-113
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    • 2015
  • In order to accelerate hydrogen society in current big renewable energy trend, it is very important that hydrogen can be transported and stored as a fuel in efficient and economical fashion. In this perspective, liquid hydrogen can be considered as one of the most prospective storage methods that can bring early arrival of the hydrogen society by its high gravimetric energy density. In this study, a small-scale hydrogen liquefier has been designed and developed to demonstrate direct hydrogen liquefaction technology. Gifford-McMahon (GM) cryocooler was employed to cool warm hydrogen gas to normal boiling point of hydrogen at 20K. Various cryogenic insulation technologies such as double walled vacuum vessels and multi-layer insulation were used to minimize heat leak from ambient. A liquid nitrogen assisted precooler, two ortho-para hydrogen catalytic converters, and highly efficient heat pipe were adapted to achieve the target liquefaction rate of 1L/hr. The liquefier has successfully demonstrated more than 1L/hr of hydrogen liquefaction. The system also has demonstrated its versatile usage as a very efficient 150L liquid hydrogen storage tank.