• 제목/요약/키워드: methylamine

검색결과 46건 처리시간 0.02초

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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    • 제31권8호
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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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    • 제28권12호
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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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    • 제35권1호
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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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메탄올만 이용하여 성장하는 Methylobacillus의 분리 및 특성 (A Methylobacillus Isolate Growing Only on Methanol)

  • 김시욱;김병홍;김영민
    • 미생물학회지
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    • 제29권4호
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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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제한통성 메탄올자화세균인 Methylovorus sp. Strain SS1의 분리 및 특성 (Isolation and Characterization of a Restricted Facultatively Methylotrophic Bacterium Methylovorus sp. Strain SS1)

  • 서성아;김영민
    • 미생물학회지
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    • 제31권3호
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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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방사선 동시조사법을 이용한 고관능성 Hybrid Polyolefine 음이온교환섬유의 합성 (Synthesis of High Functionalized Anion Exchange Fibers Using Hybrid Polyolefine by $\gamma-Ray$ Mutual Radiation)

  • 조인희;곽노석;강필현;노영창;황택성
    • 폴리머
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    • 제30권3호
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    • pp.217-223
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    • 2006
  • 방사선 동시조사에 의해 폴리올레핀 복합 섬유 표면에 고관능성 아민화 이온교환섬유를 합성하였다. 총 조사선량이 증가할수록 그래프트율도 증가하였으며 GMA 농도 50%에서 그래프트율은 최대 365%로 최대 값을 나타내었다. 또한 그래프트 반응은 극성용매에서 일어나며 Mohr's salt, 황산의 함량 $1.0\times10^{-3}M$, 0.1 M에서 그래프트율은 최대 190% 이었다. 아민화 반응은 아민화제의 종류에 따라 각기 다르게 나타났으며 메틸아민의 경우 반응성이 가장 좋았으며 트리에틸아민의 반응성이 가장 낮게 나타났다. 이온교환섬유의 함수율과 이온 교환용량은 아민화율이 증가할수록 높게 나타났으며 비표면적은 그래프트 반응과 아민화 반응이 진행됨에 따라 급격히 감소하는 경향을 보였다.

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

  • 김선덕;김준광;고문수
    • 분석과학
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    • 제15권2호
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    • pp.135-141
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    • 2002
  • 새로운 세자리 폴리아민 리간드 N,N-Bis(2-amino-ethyl)-methylamine${\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}$2HBr), N,N-Bis(2-amino-ethyl)-butylamine${\cdot}$2HBr (BABA${\cdot}$2HBr)을 두 개의 브롬산염으로 합성하여 원소분석, 적외선 분광법, 핵자기공명법 및 질량스펙트럼으로 합성을 확인하였다. 리간드들의 양성자 해리상수와 전이금속(II) 착물의 안정도상수를 수용액에서 전위차 적정법으로 측정하여 diethylenetriamine의 값과 비교하였다. 리간드별 전이금속(II)과 안정도상수의 크기는 BAMA < BAEA < BAPA > BABA순으로 증가하였다. BAPA가 BABA보다 안정도상수가 큰 이유는 BABA 내 부피가 큰 butyl 기에 의해 분자내의 입체장애를 증가시킨 것이다.

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

  • Moon, Eui-Seong;Kang, Heon
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2011년도 제41회 하계 정기 학술대회 초록집
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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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안트라센 유도체-합성DNA의 결합형태와 에너지전달과정에서 구아닌 염기의 아민기의 역할 (Binding Properties of Anthryl Derivatives to Synthetic Polynucleotide and the Role of Guanine Amine Group in the Energy Transfer)

  • 조창범;손관수;한성욱;정맹준;정현숙;이길준
    • 대한화학회지
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    • 제44권1호
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    • pp.45-51
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    • 2000
  • 안트라센 유도체-합성DNA의 결합형태를 여러 가지 분광학적인 방법들을 통해서 알아보았다. Methylamine과 methylethylenediamine, 즉, 길이가 다른 곁사슬을 가지는 안트라센 유도체들이 poly[d(A-T)2]와 $poly[d(G-C)_2]$의 이중나선에 결합했을 때의 분광학적인 특성은 흡광, 원편광스펙트럼에서 봉우리의 장파장으로 이동, 흡광도의 감소를 볼 수 있으며, 선편광스펙트럼에서는 DNA흡광 영역에서 강한 음의 봉우리가 나타나는 것으로 요약할 수 있다. 이러한 현상들은 안트라센·유도체들이 위의 두 가지 DNA의 염기쌍 사이에 삽입이 되어있다는 것을 증명한다. 곁사슬의 길이에 따른 분광학적인 특성에는 별 차이가 없는 것으로 보아 곁사슬의 길이는 결합형태에 영향을 미치지 앓는다는 것을 알 수 있다. 또한, 강한 에너지의 전달이 $pdy[d(A-T)_2]$$poly[d(I-C)_2]$에는 일어나지만 $poly[d(G-C)_2]$에는 일어나지 않는 것으로 보아 $poly[d(G-C)_2]$의 작은 흠쪽에 돌출해 있는 아민기가 DNA염기로부터의 에너지의 전달을 방해하고 있는 것으로 판단된다.

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

  • 김현숙;박수정;정원화;;이상섭
    • 대한환경공학회지
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    • 제36권4호
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    • pp.277-285
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    • 2014
  • 본 연구에서는 구제역으로 인해 발생된 가축사체 매몰지의 조기 안정화를 위하여 유용 미생물 KEM을 사용하였고, 토질에 따른 효과를 알아보기 위하여 매몰지 모형의 반응기를 통해 연구하였다. 반응기는 랩 스케일로 제작하였고, 토질 특성에 다양성을 주기 위하여 일반 토양, 20%의 사토와 섞은 일반 토양, 20%의 점토와 섞은 일반 토양을 각각 준비하였다. 각각의 토양과 유용 미생물 KEM과 섞은 후 사체를 매몰하였다. 분석 대상 악취 성분은 총 8가지로 이산화탄소, 메탄, 암모니아, 트리메틸아민, 황화수소, 메칠메르캅탄, 황화메틸과 이황화메틸이었다. 악취 분석 결과 황화수소와 메틸메르캅탄은 사토를 적용한 반응기에서 저감 효과를 보였고(각각 배출 잔량 0.09, 0.35 mg), 암모니아와 트리메틸아민은 점토를 적용한 경우 저감 효율이 높았다(각각 배출잔량 0.31, 2.06 mg). 이에 근거하여 사토는 황 화합물 악취 저감에, 점토는 질소 화합물 악취 저감에 효과를 나타내는 것으로 보인다. 또한, 토질의 특성에 따라 우점화된 미생물의 군집과 분포도가 변화되는 것을 확인하였다.