• Title/Summary/Keyword: methylamine

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Basis Set Superposition Error on Structures and Complexation Energies of Organo-Alkali Metal Iodides

  • Kim, Chang-Kon;Zhang, Hui;Yoon, Sung-Hoon;Won, Jon-Gok;Kim, Chan-Kyung
    • Bulletin of the Korean Chemical Society
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    • v.31 no.8
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    • pp.2228-2234
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    • 2010
  • Theoretical studies have been performed to study the binding characteristics of the alkali metal iodides, M-I (M = Li, Na, K), to poly(ethylene oxide) (PEO, I), poly(ethylene amine) (PEA, II) and poly(ethylene N-methylamine) (PEMA, III) via the B3LYP method. In this study, two types of complexes, singly-coordinated systems (SCS) and doubly-coordinated systems (DCS), were considered, and dissociation energies (${\Delta}E_D$) were calculated both with and without basis set superposition error (BSSE). Two types of counterpoise (CP) approach were investigated in this work, but the ${\Delta}E_D$ values corrected by using the function CP (fCP) correction exhibited an unusual trend in some cases due to deformation of the sub-units. This problem was solved by including geometry relaxation in the CP-corrected (GCP) interaction energy. On the other hand, the effects of the BSSE on the structures were very small when the complexes were re-optimized on the CP-corrected (RCP) potential energy surface (PES), even if the bond lengths between X and $M^+$ ($d_{{X-M}^+}$) and between $M^+$ and $I^-$ ($d_{M^+-I^-}$) were slightly lengthened. Therefore, neither the GCP nor RCP corrections made much difference to the dissociation energies.

Synthesis of N-Alkylated 4-Fluoro-5-phenylpyrrole-2-carboxylate via Isolable Pyrroline Ionic Intermediates

  • Kim, Sung-Kwan;Jun, Chang-Soo;Kwak, Kyung-Chell;Park, Kwang-Yong;Chai, Kyu-Yun
    • Bulletin of the Korean Chemical Society
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    • v.28 no.12
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    • pp.2324-2328
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    • 2007
  • Organic fluorine chemistry produces many useful products. This paper elucidates the reaction of ethyl-4,4- difluoro-2-iodo-5-oxo-5-phenylpentanoate (2) with primary amines in a one-pot scheme. The reaction produced a series of β-fluoropyrrole derivatives at ambient temperatures. In this reaction, the less bulky the primary amine the higher was the resultant yield. When (2) and aqueous methylamine (40%) were allowed to react below 0 oC, 5-(ethoxycarboxyl)-1-methyl-3,3-difluoro-2-hydroxy-2-phenylpyrrolidine, an intermediate molecule for 2-ethyl-4-flouro-1-methyl-5-phenylpyrrole-2-carboxylate (5), was isolated first. Then, (5) reacted with hydroperchloric acid and acetic anhydride to form 5-(ethoxycarboxyl)-1-methyl-3,3-difluoro-2- phenylpyrrolinium perchlorate (6), which was converted to 2-ethyl-4-flouro-1-methyl-5-phenylpyrrole-2- carboxylate gradually in the presence of a base. Our experiments demonstrate that the formation of 2-ethyl-4- flouro-1-methyl-5-phenylpyrrole-2-carboxylate occurs via both one-pot schemes and stepwise pathways, depending on the reaction conditions. The isolation and characterization of the isolated intermediate (6) suggest an anionic pathway for this reaction.

Growth on Methanol of a Carboxydobacterium, Acinetobacter sp. Strain JC1 DSM 3803

  • Ro, Young-Tae;Seo, Jae-Goo;Lee, Joo-Hun;Kim, Dae-Myung;Chung, In-Kwon;Kim, Tae-Ue;Kim, Young-Min
    • Journal of Microbiology
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    • v.35 no.1
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    • pp.30-39
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    • 1997
  • Acinetobacter sp. strain JC1 DSM 3803, a carboxydobacterium, was found to grow methylotrophically at the expense of methanol and methlamine, but not of methane, formaldehyde, formate, dimethylamine, or trimethylamine, as the sole source of carbon and energy. The doubling times of the bacterium growing on methanol (0.5%, v/v) and methylamine (0.5%, w/v) at 3$0^{\circ}C$ and pH 6.8 were 4.8 h and 5.7 h, respectively. Cells grown on methanol, however, failed to show typical methanol dehydrogenase and oxidase activities. The cell was found to contain no c-type cytochromes. Cells grown on methanol exhibited higher catalase activity than those grown on pyruvate or glucose. The catalase present in the cells also exhibited peroxidase activity. The catalase activity, growth on methanol of the cell, and oxygen consumption by methanol-grown maldehyde dehydrogenase, formaldehyde reductase, glucose-6-phosphate dehydrogenase, and 6-phosphogluconate dehydrogenase activities were detected from cells grown on methanol.

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A Methylobacillus Isolate Growing Only on Methanol (메탄올만 이용하여 성장하는 Methylobacillus의 분리 및 특성)

  • 김시욱;김병홍;김영민
    • Korean Journal of Microbiology
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    • v.29 no.4
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    • pp.250-257
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    • 1991
  • An obligate methanol-oxidizing bacterium, Methylobacillus sp. strain SK1, which grows only on methanol was isolated from soil. The isolate was nonmotile Gram-negtive rod. It does not have internal membrane system. The colonies were small, whitish-yellow, and smooth. The guanine plus cytosine content of the DNA was 48 mol%. Cellular fatty acids consisted predominantly of large amounts of straight-chain saturated $C_{16:0}$ acid and unsaturated $C_{16:1}$ acid. The major ubiquinone was Q-8, and Q-10 was present as minor component. The cell was obligately aerobic and exhibited catalase, but no oxidase, activity. Poly-.betha.-hydroxybutyrate, endospores, or cysts were not observed. the isolate could grow only on methanol in mineral medium. Growth factors were not required. The isolate was unable to use methane, formaldehyde, formate, methylamine, and several other organic compounds tested as a sole source of carbon and energy. Growth was optimal at 35.deg.C and pH 7.5. It could not grow at 42.deg.C. The doubling time was 1.2h at 30.deg.C when grown with 1.0%(v/v) methanol. The growth was not affected by antibiotics inhibiting cell wall synthesis and carbon monoxide but was completely suppressed by those inhibiting protein synthesis. Methanol was found to be assimilated through the ribulose monophosphate pathway. Cytochromes of b-, c-, and o- types were found. Cell-free extracts contained a phenazine methosulfate-linked methanol dehydrogenase activity, which required ammonium ions as an activator. Cells harvested after the late exponential phase seemed to contain blue protein.ein.

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Isolation and Characterization of a Restricted Facultatively Methylotrophic Bacterium Methylovorus sp. Strain SS1 (제한통성 메탄올자화세균인 Methylovorus sp. Strain SS1의 분리 및 특성)

  • Seo, Sung A.;Kim, Young M.
    • Korean Journal of Microbiology
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    • v.31 no.3
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    • pp.179-183
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    • 1993
  • A restricted facultatively methanol-oxidizing bacterium, Methylovorus sp. strain SS1, was isolate dfrom soil samples from Kuala Lumpur, Malaysia, through methanol-enrichment culture technique. The isolate was nonmotile Gram-negative rod and did not have complex internal membrane system. The colonies were small, pale-yellow, and raised convex with entire margin. The cell did not produce any spores and capsular materials. The cell was obligately aerobic and exhibited catalase, but no oxidase, activity. Plasmid, carotenoid pigment, and poly-.betha.-hydroxybutyric acid were not found. The guanine plus cytosine content of the DNA was 55%. The isolate was found to grow only on methanol methylamine, or glucose. Growth factors were not required. Cells growing on methanol was found to produce extracellular polysaccharides containing glucose, lactose, and fructose. Growth was optimal (t$_{d}$= 1.7) with 0.5%(v/v) methanol at 40.deg.C and pH 6.5. No Growth was observed at over 60.deg.C. Cell-free extracts of the methanol grown cells exhibited the phenazine methosulfate-linked methanol dehydrogenase activity Methanol was found to be assimilate dthrough the ribulose monophosphate pathway.y.

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Synthesis of High Functionalized Anion Exchange Fibers Using Hybrid Polyolefine by $\gamma-Ray$ Mutual Radiation (방사선 동시조사법을 이용한 고관능성 Hybrid Polyolefine 음이온교환섬유의 합성)

  • Cho In-Hee;Kwak Noh-Seok;Kang Phil-Hyun;Nho Young-Chang;Hwang Taek-Sung
    • Polymer(Korea)
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    • v.30 no.3
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    • pp.217-223
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    • 2006
  • Ion exchange fibers, high functionalized onto hybrid polyolefine fiber's surface, were synthesized by $\gamma-ray$ mutual radiation. Degree of grafting (DG) of copolymer increased with increasing GMA monomer concentration and the maximum rate of DG was 355% at 50 GMA. The graft reaction occurred in polar solvent and DG was 190% maximum value in $1.0\times10^{-3}$ Mohr's salt and 0.1 M sulfuric acid, respectively. The amination for graft copolymers varied depending on amine reagents, and the reactivity for copolymers was highest for methylamine, and that of triethylamine lowest. It was shown that water uptake and ion exchange capacities increased with increase in the rate of amination while surface area decreased rapidly as proceeding for graft reaction and amination.

Synthesis of Tridentate Poly-amine Ligands and Determination of Stability Constants of Transition Metal Complexes (세자리 폴리아민리간드의 합성과 양성자 해리상수 및 전이금속과의 착물 안정도상수의 결정)

  • Kim, Sun-Deuk;Kim, Jun-Kwang;Ko, Moon-Soo
    • Analytical Science and Technology
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    • v.15 no.2
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    • pp.135-141
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    • 2002
  • The new tridentate poly-amine ligands, N,N-Bis(2-amino-ethyl)-methyl amine${\cdot}$2HBr (BAMA${\cdot}$2HBr), N,N-Bis(2-amino-ethyl)-ethylamine${\cdot}$2HBr (BAEA${\cdot}$2HBr), N,N-Bis(2-amino-ethyl)-propylamine${\cdot}$2HBr (BAPA${\cdot}$2HBr) and N,N-Bis(2-amino-ethyl)-butylamine${\cdot}$2HBr (BABA${\cdot}$2HBr) were synthesized as their dihydrobromic-salt and characterized by EA, IR, NMR and Mass spectroscopy. The protonation constants of the ligands and stability constants of transition metal(II) complexes were determined in aqueous solutions by potentiometry and compared with diethylenetriamine. Stability constants for transition metal complexes of ligands are in the order of BAMA < BAEA < BAPA > BABA. The larger value of stability constants of BAPA compared to these BABA, may be attributed to the more distorted structure of the complex due to the increased steric crowding caused by the presence of the bulky N-butyl group.

Thermal Stability of Photo-produced H3O+ in the Photolyzed Water-ice Film

  • Moon, Eui-Seong;Kang, Heon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.192-192
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    • 2011
  • Hyperthermal ion scattering experiments were conducted with low kinetic energy (<35 eV) cesium ion beams to analyze the UV-photolyzed water-ice films. Neutral molecules (X) on the surface were detected as cesium-molecule ion clusters ($CsX^+$) which were formed through a Reactive Ion Scattering (RIS) process. Ionic species on the surface were desorbed from the surface via a low energy sputtering (LES) process, and were analyzed [1]. Using these methods, the thermal stability of hydronium ion ($H_3O^+$) that was produced by UV light was examined. As the thermal stability of $H_3O^+$ is related with the reaction, $H_3O^+$ + OH + $e^-$ (or $OH^-$) ${\rightarrow}$ $2H_2O$, which is similar or same with the reverse reaction of the auto-ionization of water, the result from this work would be helpful to understand the auto-ionization of $H_2O$ in water-ice that has not been well-understood yet. However, as $H_3O^+$ was not detected through a LES method, the titration experiment of $H_3O^+$ with methylamine ($CH_3NH_2$, MA), MA + $H_3O^+\;{\rightarrow}\;MAH^+$ + $H_2O$, was conducted. In this case, the presence of $MAH^+$ indicates that of $H_3O^+$ in the ice. Thus the pristine ice was photolyzed with UV light for a few minutes and this photolyzed ice was remained at the certain temperature for minutes without UV light. Then MA was adsorbed on that surface so that the population of $H_3O^+$ was found. From the calibration experiments, the relation of $MAH^+$ and $H_3O^+$ was found, so that the thermal stability of $H_3O^+$ can be investigated [2].

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Binding Properties of Anthryl Derivatives to Synthetic Polynucleotide and the Role of Guanine Amine Group in the Energy Transfer (안트라센 유도체-합성DNA의 결합형태와 에너지전달과정에서 구아닌 염기의 아민기의 역할)

  • Cho, Chang-Beom;Son, Gwan-Su;Han, Sung-Wook;Jung, Maeng-Jun;Chong, Hyun-Suk;Lee, Gil-Jun
    • Journal of the Korean Chemical Society
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    • v.44 no.1
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    • pp.45-51
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    • 2000
  • The binding mode of anthryl derivatives to synthetic polynucleotides were investigated by various spectroscopic methods. The spectroscopic properties of anthracence with metbylamine and methylethylenediamine side chains, complexed with $poly[d(A-T)_2]$ and $poly[d(G-C)_2]$, can be summarized as a red-shift, with a strong hypochromism in the absortion spectrum, similar induced CD spectra, and a strong negative LD spectrum with an $LD^r$ magnitude comparable to the DNA absorption region. These observations indicate that anthracene moiety is intercalated between the nucleo-bases of $poly[d(A-T)_2]$ and $poly[d(G-C)_2]$. The side chains did not alter the spectroscopic properties, demonstrating that the binding mode was not affected by them. A strong energy transfer was observed from poly[d(A-T),] and $poly[d(I-C)_2]$ but not from $poly[d(G-C)_2]$, as reported by Kumar et al. (J. Am. Chem. Soc.(1993) 115, 8547). Since the binding mode is the same for all the polynucleotides, the amine group of the guanine base, which protrudes into the minor groove of $poly[d(G-C)_2]$, is concluded to disrupt the energy transfer.

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The Effect of Soil Characters on Removal of Odorous Gases during Carcasses Degradation with Efficient Microorganisms (토질 특성에 따른 가축사체 매몰지의 악취 저감 연구)

  • Kim, Hyun-Sook;Park, Sujung;Jung, Weon Hwa;Srinivasan, Sathiyaraj;Lee, Sang-Seob
    • Journal of Korean Society of Environmental Engineers
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    • v.36 no.4
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    • pp.277-285
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    • 2014
  • The usage of efficient microorganism (EM) is increasing in concern for server purposes including odor removal during carcasses degradation. In this study, we have studied the type of soil and its effect on efficient microorganisms for the removal of odorous gases during buried carcasses degradation in lab-scale reactor. The carcasses are buried in the reactor with various soil types such as normal soil, 20% sandy and 20% clay soil with the efficient microorganism KEM. The efficient microorganisms KEM have the ability to stabilize the degradation of carcasses of the burial site. We have focused on the analysis of odorous gases such tri-methylamine (TMA), hydrogen sulfide ($H_2S$), methyl mercaptan (MM), dimethyl sulfide (DMS), dimethyl disulfide (DMDS), carbon dioxide ($CO_2$), and methane ($CH_4$) along with the changes of microbial community changed during complete degradation of buried carcasses for a year. The results suggested that the 20% sandy soil contain lesser level of $H_2S$ and MM (0.09 and 0.35 mg) but 20% clay has higher nitrogen compound removing effect and leave only less amount of ammonia and TMA (0.31 and 2.06 mg). The 20% sandy soil also has the ability to breakdown the carcasses more quality compared with other types of soil. Based on the data obtained in this study suggesting that, the use of 20% sandy soil can effectively control sulfur compounds whereas 20% clay soil controls nitrogen compounds in the buried soil. Depending on the type of the soil, the dominant of microbial communities and the distribution was change.