• Title/Summary/Keyword: $^{13}C$

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Ab initio Calculation for Photochemistry of Psoralens (소랄렌의 광화학 반응에 대한 Ab initio 계산)

  • Kim, Ja-Hong;Kwon, O-Hyung
    • Journal of the Korean Chemical Society
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    • v.53 no.3
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    • pp.244-256
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    • 2009
  • The psoralen-pyrimidine base complexes resulting from interstrand cross-linking through $C_4$-cycloaddition is studied by ab initio and DFT methods. The results indicate that in the case of the molecular complex formation between psoralens and pyrimidine base, the most probable photocycloadditions are 8-MOP< >Thy, Ps< >Cyt and Ps< >Thy. The geometries of photoadducts were optimized at the HF levels and ${\Delta}{G^{\circ}}$ were calculated. The photocycloadduct was inferred to be a C4-cycloaddition product with the stereochemistry of trans-syn 8-MOP< >Thy, trans-anti Ps(3, 4)< >Cyt, trans-anti Ps(12, 13)< >Cyt, trans-syn Ps(3, 4)< >Thy, trans-syn Ps(12, 13)< >Thy, trans-anti Ps(12, 13)< >Ps(12, 13), cis syn, cis anti Thy< >(3, 4)Ps(12, 13)< >Thy.

Effect of Carbon Content on the Nitrogen Permeation Heat Treatment in Aluminum Bearing 13%Cr Stainless Steels (Al 함유 13%Cr 스테인리스강의 표면 질소침투 열처리에 미치는 첨가원소 탄소의 영향 (13%Cr 스테인리스강의 고질소 표면침투 열처리))

  • Yoo, D.K.;Park, J.U.;Joo, D.W.;Kim, K.D.;Sung, J.H.
    • Journal of the Korean Society for Heat Treatment
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    • v.13 no.3
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    • pp.151-157
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    • 2000
  • This study aims to investigate the effect of carbon content on the surface nitrogen permeation of 13%Cr-1.8%Al alloyed stainless steels. The surface nitrogen permeation was performed at $1050^{\circ}C{\sim}1200^{\circ}C$ in the $1kg/cm^2$ nitrogen gas atmosphere. The nitrogen permeated surface layer of the specimen containing 0.03%C consists of AlN, martensite and retained austenite phases. while the surface layer of the specimen containing 0.14%C appears the $AlFe_3C_x$ phase including former three phases. The specimen containing 0.14%C shows lower total case depth than that containing 0.03%C at the nitrogen permeation temperatures of $1050^{\circ}C$ and $1100^{\circ}C$, while the total case depth of the specimen containing 0.14%C is remarkably increased at the temperature of $1150^{\circ}C$ and $1200^{\circ}C$ due to the increase in the retained austenite content. Martensitic phase, AlN and $AlFe_3C_x$ precipitate of the nitrogen permeated surface layer cause to increase the surface hardness of 550~600Hv.

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Cost-effective isotope labeling technique developed for 15N/13C-labeled proteins

  • Kim, Hee-Youn;Hong, Eun-Mi;Lee, Weon-Tae
    • Journal of the Korean Magnetic Resonance Society
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    • v.15 no.2
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    • pp.115-127
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    • 2011
  • A newly developed cost-effective approach to prepare $^{15}N/^{13}C$-labeled protein for NMR studies is presented. This method has been successfully applied to isotopically labeling of PTK6 SH2 domain and MTH 1880 protein. The production method generates cell density using a growing media containing $^{15}NH_4Cl$, $^{12}C_6$-D-glucose. Following a doubling time period for unlabeled metabolite exhaustion and then addition $^{13}C_6$-D-glucose into a M9 growing media, the cells are induced. Our results demonstrate that in order to get full incorporation of $^{13}C$, the isotopes are not totally required during the initial growth phase before induction. The addition of small amounts of $^{13}C_6$-D-glucose to the induction phase is sufficient to obtain more than 95% incorporation of isotopes into the protein. Our optimized protocol is two-thirds less costly than the classical method using $^{13}C$ isotope during the entire growth phase.

Characterization of Kraft Lignin by 13C-Nuclear Magnetic Resonance Spectroscopy (13C-NMR에 의한 크라프트 리그닌의 특성)

  • Lee, Beom-Goo;Hwang, Byung-Ho
    • Journal of the Korean Wood Science and Technology
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    • v.17 no.4
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    • pp.44-56
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    • 1989
  • To recover much residual lignin from the black liquor of kraft pulp. the black liquor was extracted and purified with many organic solvents. Many kinds of lignins were isolated from each fraction obtained and the characteristics of these lignins investigated by $^{13}C$-NMR spectroscopy. If M$\ddot{o}$rck's method was compared with Kirk's method. M$\ddot{o}$rck's method was better than Kirk's method because the particular signals of each lignin occur more in the former than m the latter. Especially the $^{13}C$-NMR spectrum of the MCS fraction identifies with those of other researchers. The experiment that the kraft lignin from Pinus densiflora S. et Z. found in Korea was investigated by $^{13}C$-NMR spectroscopy was performed first in Korea.

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Microbiological Characteristics of Wild Yeast Strain Pichia anomala Y197-13 for Brewing Makgeolli

  • Kim, Hye Ryun;Kim, Jae-Ho;Bai, Dong-Hoon;Ahn, Byung Hak
    • Mycobiology
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    • v.41 no.3
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    • pp.139-144
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    • 2013
  • Makgeolli is a traditional cloudy-white Korean rice wine with an alcohol content of 6~7%. The present study investigated the morphological characteristics, carbon-utilizing ability, fatty acid composition, alcohol resistance, glucose tolerance, and flocculence of Saccharomyces cerevisiae Y98-5 and Pichia anomala Y197-13, non-S. cerevisiae isolated from Nuruk, which is used in brewing Makgeolli. Similar morphological characteristics were observed for both isolated wild yeast strains; and the carbon source assimilation of Y197-13 differed from that of other P. anomala strains. Strain Y197-13 was negative for D-trehalose, mannitol, arbutin, I-erythritol, and succinic acid. The major cellular fatty acids of strain Y197-13 included C18:2n6c (33.94%), C18:1n9c (26.97%) and C16:0 (20.57%). Strain Y197-13 was Crabtree-negative, with 60% cell viability at 12% (v/v) ethanol. The flocculation level of strain Y197-13 was 8.38%, resulting in its classification as a non-flocculent yeast.

Studies on the Synthesis of Pterdine Substituted Pyridonecarboxylic Acids as Potential Antibacterial Agents and their Antimicrobial Activities (항균제로서 Pteridine이 치환된 Pyridonecarboxylic Acids의 합성 및 항균 작용에 관한 연구)

  • Ryu, Seoung Ryuall;Choo, Dong Joon
    • Applied Chemistry for Engineering
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    • v.7 no.6
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    • pp.1096-1104
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    • 1996
  • In order to synthesize a new antibacterial and antitumor agents, we have prepared new analogues pteroic acid(13a, 13b), which means C-9 position of pteroic acid has been replaced by norfloxacin(8) or ciprofloxacin(9) and amino group of C-2 position by $CH_3$. These derivatives were synthesized coupling at N-4 piperazine of norfloxacin and ciprofloxacin with 2-amino-3-cyano-5-chloromethylpyrazine(20) provided 1-alkyl(ethyl, cyclopropyl)-6-fluoro-1,4-dihydro-4-oxo-7-[[4-N-(2-amino-3-cyanopyrazin-5-yl)methyl]piperazin-1-yl]-3-quinoline-carboxylic acid(12a, 12b). It was then cyclized with acetamidine. HCI to obtain new analogues of C-2 desaminomethylpteroic acid(13a, 13b) in yield of 76.2% and 82.8 % respectively. These compounds were tested in vitro on antibacterial activity against Gram-positive and Gram-negative bacteria including Pseudomonas aeruginosa ATCC9027. In general, these synthesized compounds(13a, 13b) showed less potent activities than those of norfloxacin.

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Temperature Dependence of Carbon-13 Shieldings as a Probe for Conformational Equilibra

  • Jung Miewon
    • Bulletin of the Korean Chemical Society
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    • v.13 no.6
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    • pp.595-599
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    • 1992
  • The temperature dependence of C-13 chemical shifts are observed for the cyclooctanone arylhydrazones. The temperature-dependent chemical shifts for these derivatives are explained by postualating the existence of two equilibrating structures. In addition, the assignment between the $^{13}C$ signals of methylene carbon pairs can be done by application of the ${gamma}$ -substituent effect.

Atomic Structure of Dissolved Carbon in Enstatite: Raman Spectroscopy and Quantum Chemical Calculations of NMR Chemical Shift (라만 분광분석과 NMR 화학 이동 양자 계산을 이용한 엔스테타이트에 용해된 탄소의 원자 환경 연구)

  • Kim, Eun-Jeong;Lee, Sung-Keun
    • Journal of the Mineralogical Society of Korea
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    • v.24 no.4
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    • pp.289-300
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    • 2011
  • Atomistic origins of carbon solubility into silicates are essential to understand the effect of carbon on the properties of silicates and evolution of the Earth system through igneous and volcanic processes. Here, we investigate the atomic structure and NMR properties of dissolved carbon in enstatite using Raman spectroscopy and quantum chemical calculations. Raman spectrum for enstatite synthesized with 2.4. wt% of amorphous carbon at 1.5 GPa and $1,400^{\circ}C$ shows vibrational modes of enstatite, but does not show any vibrational modes of $CO_2$ or ${CO_3}^{2-}$. The result indicates low solubility of carbon into enstatite at a given pressure and temperature conditions. Because $^{13}C$ NMR chemical shift is sensitive to local atomic structure around carbon and we calculated $^{13}C$ NMR chemical shielding tensors for C substituted enstatite cluster as well as molecular $CO_2$ using quantum chemical calculations to give insights into $^{13}C$ NMR chemical shifts of carbon in enstatite. The result shows that $^{13}C$ NMR chemical shift of $CO_2$ is 125 ppm, consistent with previous studies. Calculated $^{13}C$ NMR chemical shift of C is ~254 ppm. The current calculation will alllow us to assign potential $^{13}C$ NMR spectra for the enstatite dissolved with carbon and thus may be useful in exploring the atomic environment of carbon.

$^{13}C-Nuclear$ Magnetic Resonance of the Phenolic Compounds (I) -A Systematic Evaluation of the Chemical Shifts of the Phenolic Compounds- (Phenol성(性) 화합물(化合物)의 $^{13}C$-핵자기(核磁氣) 공명(共鳴)(I) -Phenol성(性) 화합물(化合物)의 Chemical Shift에 관(關)한 연구(硏究)-)

  • Ahn, Byung-Zun
    • Korean Journal of Pharmacognosy
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    • v.8 no.1
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    • pp.17-21
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    • 1977
  • $^{13}C-NMR$ behaviors of phenolic compounds such as phenol, catechol, pyrogallol, resorcine, phoroglucine and hydroquinone were studied. From the study on the effects of OH-substitution on benzene and its dervatives it was found that the additivity rule can be applied to the ortho-and para-effect but not to the meta-effect for the OH-function. The empirically calculated chemical shifts regarding the o-and p-effects coincide very well with the results of measurement. The chemical shifts of the phenolic compounds can be classified into three types. 1) Catechol-type C-1 and C-2 145 ppm C-3 and C-6 116-107 ppm 2) Pyrogallol-type C-1 132ppm C-2 and C-6 146ppm C-3 and C-5 106ppm 3) Resorcin-type C-1 and C-3 159ppm C-2 103-95ppm C-4 and C-6 107ppm

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A Study on Basic Investigation for Quality Improvement of Raw-Silk A Study on the Dissolving Behavior of Sericin in the Cocoon Shell and Pupa Protein (Bombyx mori L.) (Part III) (생사 품위향상을 위한 기초조사 연구 견층 Sericin과 용체 단백질의 용해거동에 관한 연구(III))

  • 임영우
    • Journal of Sericultural and Entomological Science
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    • v.17 no.2
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    • pp.161-170
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    • 1975
  • This study is to investigate the content of crude protein intruded in the sericin of cocoon shell and pupa by treatment of buffer solution (pH 1 to pH 13) 20 ml per 1 gram for 30 and 60 minutes at 30$^{\circ}C$, 60$^{\circ}C$ and 100${\pm}$2$^{\circ}C$, respectively. The results obtained are summarized as follows. 1. The quantity of total crude protein obtained from cocoon shell and pupa by treatment during 30 minutes at 30$^{\circ}C$ was dissolved as the largest quantity of 11.874 mg/g at pH 1 and l5.93mg/g at pH 13, but dissolved the smallest quantity 1.75g/g at pH 5 as known. and tile quantity of crude protein treated for 60 minutes is 13.437mg/g at pH 1 and 22.50mg/g at pH 13. Also, the smallest quantity is 2. 813mg/g at pH 5 as known. 2. By the treatment during 30 minutes at 60$^{\circ}C$, the dissolved largest quantity was 13.12mg/g at pH 1 and 21.875 mg/g at pH 13, but the smallest quantity is 2.375mg/g at pH 5 as known After treatment for 60 minutes at 60$^{\circ}C$, the dissolved largest quantity was 17.500 mg/g at pH 1 and 31.56mg/g at pH 13, bu the smallest quantity is 3.849 mg/g at pH 5. 3. The dissolved crude protein from the cocoon shell and pupa by treatment for 30 minutes at 100${\pm}$2$^{\circ}C$ was the largest quantity of 147.000mg/g at pH 1 and 398. 125mg/g at pH 13, but the smallest quantity is 75.00mg/g at pH 5 as known. After treatment for 60 minutes at 100${\pm}$2$^{\circ}C$, the largest quantity was 253.76 mg/g at pH 1 and 460.625mg/g at pH 13, but the smallest quantity is 139.375mg/g at pH 5 as known. 4. The dissolved crude protein from the cocoon shell and pupa was not different in quantity by treatment at 30$^{\circ}C$ or 60$^{\circ}C$. But dissolved crude protein was large quantity from cocoon shell more than pupa, as known. 5. The treatment of cocoon shell and pupa during 60 minutes at 100${\pm}$20$^{\circ}C$ was increased to the dissolved largest quantity of crude protein of 19.20% at pH 1 and 22. 18% at pH 13 from the cocoon shell and 6. 12% at pH, an d 23.87% at pH 13 from the pupa. But dissolved crude protein was increased to the larger quantity from pupa more than cocoon shell.

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