• Title/Summary/Keyword: F NMR

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[$^{13}C$ NMR Chemical Shifts of ${\alpha}-Substituted$ Toluenes (${\alpha}-$치환 톨루엔 유도체의 $^{13}C$ NMR 화학 Shift)

  • Youm, Jeong-Rok
    • YAKHAK HOEJI
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    • v.32 no.3
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    • pp.164-169
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    • 1988
  • $^{13}C$ NMR chemical shifts for 18 ${\alpha}-susbstituted$ toluenes at high dilution in $CCl_4$ solution have been determined. Substituents are as follows: H, Me, Et, n-Pr, iso-Pr, Ph, F, Cl, Br, $NH_2$, NHMe, $NMe_2$, OH, OMe, OCOMe, $CO_2Me$, $CO_2Et$, CN. Those chemical shifts of the methylene carbon of the toluene and the ${\alpha}-carbon$ of the n-butane systems are correlated well. (r=.975, slope=.962)

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$\pi$-Participation in Bicyclo [3.2.1]oct-6-en-2-yl Cation. $^{19}F$ NMR Spectroscopy as a Probe

  • Chae Jong-Kun;Shin Jung-Hyu
    • Bulletin of the Korean Chemical Society
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    • v.15 no.1
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    • pp.12-14
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    • 1994
  • p-Fluorophenyl bicyclo[3.2.l]oct-6-en-2-yl cation (3) prepared in $FSO_3H-SO_2-CIF$ solution at -90$^{\circ}$C and examined by fluorine-19 nmr spectroscopy. The nmr data give a clear evidence for the formation of a stabilized ${\pi}$-bridging cation species in superacids. The degree of ${\pi}$delocalization in this cation is found to be inferior to the onset of nonclassical stabilization in 2-norbornenyl cation.

Pulsed NMR Study of $CuF_{2}.2H_{2}O$ ($CuF_{2}.2H_{2}O$의 펄스 핵자기공명 연구)

  • Lee, C.E.;Yoon, E.H.;Lee, C.H.;Kim, K.;Jeon, S.J.
    • Journal of the Korean Magnetics Society
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    • v.3 no.1
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    • pp.13-17
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    • 1993
  • We have studied $CuF_{2}.2H_{2}O$ using $^{1}H$ and $^{19}F$ pulsed nuclear magnetic resonance at 30 MHz. From the data of lineshapes, the spin-lattice relaxation times ($T_1$) and the spin echo decay times, lattice dynamics in the structure is investigated. $T_1$ data from both $^{1}H$ and $^{19}F$ NMR indicate that spin-lattice relaxation is dominated by the paramagnetic ion centers at the Cu sites. The lineshapes at room temperature appear to be strongly affected by exchange narrowing and motional narrowing.

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Isolation of Antifungal Compound and Biocontrol Potential of Lysobacter antibioticus HS124 against Fusarium Crown Rot of Wheat

  • Monkhung, Sararat;Kim, Yun-Tae;Lee, Yong-Seong;Cho, Jeong-Yong;Moon, Jae-Hak;Kim, Kil-Yong
    • Korean Journal of Soil Science and Fertilizer
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    • v.49 no.4
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    • pp.393-400
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    • 2016
  • Fusarium graminearum is the main cause of substantial economic loss in wheat production. The aim of this study is to investigate biocontrol potential of Lysobacter antibioticus HS124 against F. graminearum and to purify an antifungal compound. In preliminary study, n-butanol crude extract revealed destructive alterations in the hyphal morphology of F. graminearum and almost degraded with $1,000{\mu}g\;mL^{-1}$ concentration. For further study, the antifungal compound extracted from the n-butanol crude extract of L. antibioticus HS124 was identified as N-Butyl-tetrahydro-5-oxofuran-2-carboxamide ($C_9H_{16}NO_3$) using NMR ($^1H-NMR$, $^{13}C-NMR$, $^1H-^1H\;COSY$, HMBC, and HMQC), and HR-ESI-MS analysis. To our knowledge, N-Butyl-tetrahydro-5-oxofuran-2-carboxamide may be a novel compound with molecular weight of 186.1130. The minimum inhibitory concentration value of antifungal compound was $62.5{\mu}g\;mL^{-1}$ against F. graminearum. In an in vivo pot experiment, crown rot disease from F. graminearum was inhibited when wheat seeds were treated with both HS124 culture and F. graminearum. Growth of wheat seedling was enhanced by treatment of HS124 compared to control. Our results suggest that L. antibioticus HS124 characterized in this study could be successfully used to control F. graminearum and could be used as an alternative to chemical fungicides in modern agriculture.

Anti-apoptotic Effects of Terrein on Etoposide-induced Apoptosis of U937 Human Leukemia Cells (Terrein의 etoposide에 의해 유도된 apoptosis 저해효과)

  • 이충환;이호재;김진희;김현아;고영희
    • Microbiology and Biotechnology Letters
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    • v.28 no.2
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    • pp.87-91
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    • 2000
  • In the course of screening for the substances inhibiting apoptosis ofU937 human leukemia cell induced by etoposide, a fungal strain F80834 producing a high level of inhibitor was selected. The inhibitory substance was purified and identified as terrein by spectroscopic methods of UV, EI-MS, IH-NMR, 13C-NMR and DEPT. Terrein showed inhibitory activity of caspase 3, a major protease of apoptosis cascade, with an $IC_{50}$ value of $20\mu\textrm{g}/ml$ after 7 hrs of treatment. It also showed protective effect against cell death with an $IC_{50}$ value of $10\mu\textrm{g}/ml$ on U937 cells induced by etoposide after 24 hrs of treatment, but did not show any cytotoxicity at the same condition without etoposide.

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Construction of 19F-13C Solid-State NMR Probe for 400MHz Wide-Bore Magnet

  • Jeong, Ji-Ho;Park, Yu-Geun;Choi, Sung-Sub;Kim, Yongae
    • Journal of the Korean Magnetic Resonance Society
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    • v.17 no.2
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    • pp.81-85
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    • 2013
  • Various fluorine-containing materials are used in electronic devices like LCD display panels and Li-ion batteries. The structural conformation of fluorine in fluorinated materials is an important contributing factor that influences the chemical and physical properties. The conformation can be changed by heat and stress during manufacture or use. Understanding the conformational changes is critical for understanding the performance and durability of electronic devices. Solid-state NMR spectroscopy could be widely used for the analysis of various fluorine-containing materials for electronic devices. However, conventional CPMAS probes cannot be used for in-situ analysis of fluorine-containing electronic devices like LCD panels and Li-ion batteries. In this paper, we show the design, construction, and optimization of a $^{19}F-^{13}C$ double-resonance solid-state NMR probe for a 400MHz wide-bore magnet with a flat square coil for in-situ analysis of fluorine-containing electronic devices without observing fluorine background signals. This custom-built probe does not show any fluorine background signals, and can have higher efficiency for lossy samples.

Fluorine-19 NMR Spectroscopic Studies of Phenyl-fluorinated Iron Tetraarylporphyrin Complexes

  • Song, Byung-Ho;Yu, Byung-soo
    • Bulletin of the Korean Chemical Society
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    • v.24 no.7
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    • pp.981-985
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    • 2003
  • Fluorine-19 NMR solution measurements have been made for various phenyl-fluorinated iron porphyrin complexes. Large chemical shifts for phenyl fluorine signals of iron(III) and iron(II) are observed, and these signals are sensitive to electronic structure. The chemical shift differences in ortho-phenyl fluorine signals between high-spin ferric and low-spin ferric tetrakis(pentafluorophenyl)porphyrins are approximately 40 ppm, whereas the differences are approximately 7 ppm between high- and low-spin states of ferrous tetrakis(pentafluorophenyl)porphyrin complexes. Analysis of fluorine-19 isotropic shifts for the iron(III) tetrakis(pentafluorophenyl) porphyrin using fluorine-19 NMR indicates there is a sizable contact contribution at the ortho-phenyl fluorine ring position. Large phenyl fluorine-19 NMR chemical shift values, which are sensitive to the oxidation and spin states, can be utilized for identification of the solution electronic structures of iron(III) and iron(II) porphyrin complexes.

Solution Structure of LXXLL-related Cofactor Peptide of Orphan Nuclear Receptor FTZ-F1

  • Yun, Ji-Hye;Lee, Chul-Jin;Jung, Jin-Won;Lee, Weon-Tae
    • Bulletin of the Korean Chemical Society
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    • v.33 no.2
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    • pp.583-588
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    • 2012
  • Functional interaction between Drosophila orphan receptor FTZ-F1 (NR5A3) and a segmentation gene product fushi tarazu (FTZ) is crucial for regulating genes related to define the identities of alternate segmental regions in the Drosophila embryo. FTZ binding to the ligand-binding domain (LBD) of FTZ-F1 is of essence in activating its transcription process. We determined solution structures of the cofactor peptide ($FTZ^{PEP}$) derived from FTZ by NMR spectroscopy. The cofactor peptide showed a nascent helical conformation in aqueous solution, however, the helicity was increased in the presence of TFE. Furthermore, $FTZ^{PEP}$ formed ${\alpha}$-helical conformation upon FTZ-F1 binding, which provides a receptor bound structure of $FTZ^{PEP}$. The solution structure of $FTZ^{PEP}$ in the presence of FTZ-F1 displays a long stretch of the ${\alpha}$-helix with a bend in the middle of helix.

Efficient Synthesis of 1,3-Thiazole Derivatives from Arylidenethiosemicarbazones in the Presence of β-Cyclodextrin with Water (수용액과 β-Cyclodextrin 하에서 Arylidenethiosemicarbazone들로부터 1,3-Thiazole 유도체들의 효율적 합성)

  • Park, Kyung-Jin;Bae, Sun Kun
    • Applied Chemistry for Engineering
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    • v.18 no.4
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    • pp.326-329
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    • 2007
  • 2-Arylidenehydrazinyl-4-arylthiazole derivatives (9a-f) were prepared by the in situ formation of ${\beta}$-cyclodextrin complex of 2,4'-dibromoacetophenone (8) in water followed by the addition of arylidenethiosemicarbazones (7a-f) in 70~88% yield. The structures of the compounds 9a-f were elucidated by IR and $^1H-NMR$ spectral data. The role of ${\beta}$-cyclodextrin appears to activate the compound 7 and 8 and promote the reaction to complete in reduced reaction time.

Pulsed NMR Study of $CuF_2$ ($CuF_2$의 펄스 핵자기공명 연구)

  • Lee, Cheol Ui;Lee, Chang Hun;Kim, Jun Hyeong;Kim, Gun Seok;Kim, Geon
    • Journal of the Korean Chemical Society
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    • v.38 no.9
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    • pp.628-631
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    • 1994
  • We have studied the paramagnetic $CuF_2$ using the techniques of pulsed nuclear magnetic resonance (NMR). The powder sample revealed two well-separated lines from the distinct $^{19}F$ sites at room temperature. One of the lines showed little frequency shift. However, the other showed a large frequency shift, suggesting electron transfers. Furthermore, the two sites have very short spin-lattice relaxation times $(T_1).$ The frequency-shifted site has the shorter $T_1$ than the unshifted one, reflecting the difference of the electron environments of the two sites.

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