• Title/Summary/Keyword: $^{13}C-NMR$ data

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Synthesis and Structure of trans-Dichlorobis(diisopropylaniline) palladium(II), trans-$[Pd(NH_2-C_6H_3-2, 6-i-Pr_2)_2Cl_2]$ (trans-Dichlorobis(diisopropylaniline) palladium(II), trans-$[Pd(NH_2-C_6H_3-2, 6-i-Pr_2)_2Cl_2]$의 합성 및 구조)

  • Hye Jin Kim;Won Seok Han;Soon Won Lee
    • Korean Journal of Crystallography
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    • v.12 no.3
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    • pp.137-140
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    • 2001
  • Compound PdCl₂(Phc≡N)₂(1) reacted with 2,6-diisopropylaniline to give trans-[Pd(NH₂-C/sub 6/-H₃-2, 6-i-Pr₂)₂Cl₂] (2). Compound 2 was characterized by spectroscopy (¹H-NMR, /sup 13/C-NMR, and IR) and X-ray diffraction. Crystallographic data for 2: monoclinic space group P2₁/n, a=13.532(3) Å, b=5.749(1) Å, c=17.880(4)Å, β=103.84(2)°, Z=2, R(wR₂)=0.0466(0.1226).

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Prolyl Endopeptidase-inhibiting Isoflavonoids from Puerariae Flos and Some Revision of their $^{13}C-NMR$ Assignment (갈화의 Prolyl Endopeptidase 저해 활성 Isoflavonoid 및 이들의 $^{13}C-NMR$ Assignment)

  • Kim, Kyung-Bum;Kim, Sang-In;Kim, Jong-Sik;Song, Kyung-Sik
    • Applied Biological Chemistry
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    • v.42 no.4
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    • pp.351-355
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    • 1999
  • In order to find anti-dementia drugs from natural products, prolyl endopeptidase inhibitors were purified from Puerariae Flos by consecutive solvent partition, followed by silica gel, Sephadex LH-20, and HPLC. Four isoflavonoid inhibitors were isolated and identified as tectorigenin, genistein, 5,7-dihydroxy-4',6-dimethoxyisoflavone, and 5-hydroxy-6,7,4'-trimethoxyisoflavone by means of instrumental analyses including $^{1}H-$, $^{13}C-$, $^{2}D-NMR$ and MS and $IC_{50}$ values against PEP were 5.30 ppm$(17.7\;{\mu}M)$, 10.39 ppm$(38.5\;{\mu}M)$, 13.92 ppm$(44.3\;{\mu}M)$, and 20.61 ppm$(62.8\;{\mu}M)$, respectively. Some previous mistakes in $^{13}C-NMR$ assignment were revised by careful investigation of HMBC and HMQC data.

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Microstructure of Polypropylene Prepared with Kaminsky Catalyst System (Kaminsky 촉매계로 제조한 폴리프로필렌의 미세구조)

  • Lee, Cheal-Gyu
    • Analytical Science and Technology
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    • v.9 no.2
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    • pp.203-209
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    • 1996
  • Kaminsky catalyst system($Et(Ind)_2ZrCl_2$ and MAO(methylaluminoxane)) was prepared. Propylene was polymerized at $60^{\circ}C$ in this system. The microstructure was studied by using the $^{13}C$ NMR spectrometer. From the $^{13}C$ NMR data, the 2, 1-insertion of propylene was controlled stereospecific by Kaminsky catalyst due to the structures of meso and racemo I. After the 2, 1-insertion of propylene, 1, 2-insertion of the chain end was less stereospecifically controlled by the catalyst.

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Preparation and Structure of trans-Bis(tert-butylamine)dichloropalladium(II), trans-[$PdCl_2(t-BuNH_2)_2$] (trans-Bis(tert-butylamine)dichloropalladium(II), trans-[$PdCl_2(t-BuNH_2)_2$의 합성 및 구조)

  • 김혜진;한원석;이순원
    • Korean Journal of Crystallography
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    • v.12 no.1
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    • pp.10-13
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    • 2001
  • Compound PdCl₂(PhCN)₂(1) reacted with tert-butylamine(t-BuNH₂) to give trans-[PdCl₂(t-BuNH₂)₂] (2) Compound 2 was characterized by spectroscopy (¹H-NMR, /sup 13/C{¹H}-NMR, and IR) and X-ray diffraction. Crystallographic data for f2: monoclinic space group p2₁/c, a=6.298(1)Å, b=20.740(2)Å, c=10.731(1)Å, β=92.58(1)°, Z=4, R(wR₂)=0.0207(0.0543).

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Synthesis and Substituent Effects in Substituted Styryl 4-Methoxy-1-Naphthyl Ketones (다양한 치환기가 붙은 Styryl 4-Methoxy-1-Naphthyl Ketone의 합성과 치환기 효과에 관한 연구)

  • Thirunarayanan, G.;Ananthakrishna Nadar, P.
    • Journal of the Korean Chemical Society
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    • v.50 no.3
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    • pp.183-189
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    • 2006
  • A series of substituted styryl 4-methoxy-1-naphthyl ketones [(2E)-1-(4-methoxy-1-naphthyl)-3-phenyl-2-propen-1-ones] were synthesized using facile method of microwave assisted condensation reaction. The yield of chalcones is more than 90%. They are characterized by their physical constants, micro analysis, infrared (KBr, 4000-400 cm?1) and NMR both 1H and 13C spectral data. From infrared spectra, the s-cis and s-trans stretching vibrations of carbonyl group, from NMR spectra the ethylenic proton and carbon chemical shifts (ppm) are assigned. These spectral data are correlated with various Hammett substituent constants. From the results of statistical analysis the effect of substituents on CO, ? and ? proton and carbons are explained.

Complete $^1H$-NMR and $^{13}C$-NMR spectral analysis of the pairs of 20(S) and 20(R) ginsenosides

  • Yang, Heejung;Kim, Jeom Yong;Kim, Sun Ok;Yoo, Young Hyo;Sung, Sang Hyun
    • Journal of Ginseng Research
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    • v.38 no.3
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    • pp.194-202
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    • 2014
  • Background: Ginsenosides, the major ingredients of Panax ginseng, have been studied for many decades in Asian countries as a result of their wide range of pharmacological properties. The less polar ginsenosides, with one or two sugar residues, are not present in nature and are produced during manufacturing processes by methods such as heating, steaming, acid hydrolysis, and enzyme reactions. $^1H$-NMR and $^{13}C$-NMR spectroscopic data for the identification of the less polar ginsenosides are often unavailable or incomplete. Methods: We isolated 21 compounds, including 10 pairs of 20(S) and 20(R) less polar ginsenosides (1-20), and an oleanane-type triterpene (21) from a processed ginseng preparation and obtained complete $^1H$-NMR and $^{13}C$-NMR spectroscopic data for the following compounds, referred to as compounds 1-21 for rapid identification: 20(S)-ginsenosides Rh2 (1), 20(R)-Rh2 (2), 20(S)-Rg3 (3), 20(R)-Rg3 (4), 6'-O-acetyl-20(S)-Rh2 [20(S)-AcetylRh2] (5), 20(R)-AcetylRh2 (6), 25-hydroxy-20(S)-Rh2 (7), 25-hydroxy-20(S)-Rh2 (8), 20(S)-Rh1 (9), 20(R)-Rh1 (10), 20(S)-Rg2 (11), 20(R)-Rg2 (12), 25-hydroxy-20(S)-Rh1 (13), 25-hydroxy-20(R)-Rh1 (14), 20(S)-AcetylRg2 (15), 20(R)-AcetylRg2 (16), Rh4 (17), Rg5 (18), Rk1 (19), 25-hydroxy-Rh4 (20), and oleanolic acid 28-O-b-D-glucopyranoside (21).

Isolation and Characterization of Aquatic Humic Acid and Fulvic Acid (수질계의 Humic Acid와 Fulvic Acid의 분리 및 특성)

  • Rhee, Dong Seok
    • Analytical Science and Technology
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    • v.15 no.1
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    • pp.36-42
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    • 2002
  • The dissolved organic carbon extracted from groundwater is separated into humic acid and fulvic acid. They are characterized for their chemical composition, spectroscopic characteristics using UV/VIS, IR and solid state $^{13}C-NMR$ spectroscopy, proton exchange capacity and molecular size distribution. The results are comparable with the literature data. The study explains that the aquatic humic and fulvic acid in this experiment are site-specipic and polydisperse natural organic matter with considerable proton exchange capacity.

Backbone 1H, 15N, and 13C resonance assignments and secondary structure prediction of SAV2228 (translation initiation factor-1) from Staphylococcus aureus

  • Kim, Do-Hee;Jang, Sun-Bok;Lee, Bong-Jin
    • Journal of the Korean Magnetic Resonance Society
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    • v.16 no.2
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    • pp.162-171
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    • 2012
  • SAV2228 has an OB (Oligomer-Binding)-motif which is frequently used for nucleic acid recognition. To characterize the activity of translation initiation factor-1 (IF-1) from Staphylococcus aureus, SAV2228 was expressed and purified in Escherichia coli. We acquired 3D NMR spectra showing well dispersed and homogeneous signals which allow us to assign 94.4% of all $^1HN$, $^{15}N$, $^{13}C{\alpha}$, $^{13}C{\beta}$ and $^{13}CO$ resonances. We could predict a secondary structure of SAV2228 using TALOS and CSI from NMR data. SAV2228 was consisted of one ${\alpha}$-helix and five ${\beta}$-sheets. The predicted secondary structure, ${\beta}-{\beta}-{\beta}-{\alpha}-{\beta}-{\beta}$, was similar to other bacterial IF-1, but it was not completely same to the eukaryotic one. Assigned NMR peaks and secondary structre prediction can be used for the study on interaction with nucleic acid in the future.

Phenolic Compounds from Frullania nisquallensis

  • Kim, Youn-Chul;Kingston, David G.I.
    • Korean Journal of Pharmacognosy
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    • v.26 no.3
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    • pp.248-252
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    • 1995
  • Five phenolic compounds were isolated from the MeCOEt extract of Frullania nisquallensis (Jubulaceae), namely methyl 2,4-dihydroxy-3,6-dimethylbenzoate, methyl 2,4-dihydroxy-6-methylbenzoate, acacetin, betuletol, and pectolinaringenin. Revised ${13}^C-NMR$ data of methyl 2,4-dihydroxy-6-methylbenzoate and betuletol are reported.

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