• Title/Summary/Keyword: $^{13}$C NMR

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Complete Assignment of $^{1}H$ and $^{13}C$-NMR Signals for (20S) and (20R)-Protopanaxadiol by 2D-NMR Techniques (2D-NMR 기법을 이용한 (20S)와 (20R)-Protopanaxadiol의 $^{1}H$- 및 $^{13}C$-NMR 완전 동정)

  • 백남인;김동선
    • Journal of Ginseng Research
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    • v.19 no.1
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    • pp.45-50
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    • 1995
  • (20S)- and (20R)-protopanaxadiol were prepared from crude ginseng saponin by chemical treatment. The $^{1}H$- and $^{13}C$-NMR signals of these compounds were fully assigned by various NMR techniques such as DEPT, 1H-1H COSY, HMQC, HMBC and NOESY.

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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.

Structural characteristics of [N(CH3)4]2CdCl4 determined by 1H MAS NMR, 13C CP/ MAS NMR, and 14N NMR

  • Lee, Seung Jin;Lim, Ae Ran
    • Journal of the Korean Magnetic Resonance Society
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    • v.19 no.1
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    • pp.18-22
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    • 2015
  • The structural geometry of $[N(CH_3)_4]_2CdCl_4$ in a hexagonal phase is studied by $^1H$ MAS NMR, $^{13}C$ CP/MAS NMR, and $^{14}N$ NMR. The changes in the chemical shifts for $^{13}C$ and $^{14}N$ in the hexagonal phase are explained by the structural geometry. In addition, the temperature dependencies of the spin-lattice relaxation time in the rotating frame $T_{1{\rho}}$ for $^1H$ MAS NMR and $^{13}C$ CP/MAS NMR are measured.

A Study on the Characteristics of Natural, Synthetic, and Treated Gem Quality Diamonds by NMR and EPR (NMR과 EPR을 이용한 천연, 합성, 그리고 처리된 보석용 다이아몬드의 특성 연구)

  • Kim, Jong-Rang;Jang, Yun-Deuk;Kim, Sun-Ha;Kim, Jong-Hwa;Paik, Youn-Kee
    • Journal of the Mineralogical Society of Korea
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    • v.21 no.4
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    • pp.435-442
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    • 2008
  • Natural, synthetic, and treated diamonds were studied by NMR and EPR. It was demonstrated that natural and synthetic diamonds, treated and non-treated diamonds, high pressure high temperature (HPHT) treated and electron beam treated diamonds could be distinguished among each other based on the $^{13}C$ NMR spectra acquired for relatively short periods of 100 minutes. The $^{13}C$ NMR linewidths of gem quality synthetic diamonds were broader than 1.6 ppm due to the paramagentic effects of transition metals, generally used as catalysts, while the linewidths of gem quality natural diamonds were narrower than 0.5 ppm regardless of the methods of treatment. The linewidth (0.5 ppm) for a HPHT treated, gem quality natural diamond was as broad as more than twice of the linewidth (0.2 ppm) of an electron beam treated diamond. The $^{13}C$ NMR signal intensities of treated, gem quality natural diamonds were as strong as more than 10 times of the intensities of non-treated, gem quality natural diamonds. When correlated with the concentrations of the paramagnetic defects (electrons) obtained from the EPR spectra, the relative $^{13}C$ NMR signal intensities increased in proportion to the concentrations of the paramagnetic electrons contained in each sample but the electron beam treated diamond was an exception. This suggested that the lattice component, in addition to the paramagnetic defect component, should also be considered in determining the $^{13}C$ NMR signal intensity of the electron beam treated diamond.

The Laccase Activity of Trametes versicolor during Cultivation on Acetylated Wood and 13C-CP/MAS NMR Study (아세틸화 처리 목재에 배양시킨 Trametes versicolor의 Laccase활성과 13C-CP/MAS NMR 분석)

  • Son, Dong-Won;Lee, Dong-Heub
    • Journal of the Korean Wood Science and Technology
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    • v.29 no.4
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    • pp.60-66
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    • 2001
  • For examine anti-degradation factors of acetylated wood, acetylated wood was incubated on Trametes versicolor. The laccase activity was examined in broth culture and solid fermentation that contain acetylated chips. The change of acetyl groups and chemical composition in the acetylated wood having massloss analysed by $^{13}C$-CP/MAS NMR. The laccase activity was detected in broth culture. When the T. versicolor contact to acetylated wood directly, the laccase activity was very low and couldn't maintain during test periods. Through the analysing of $^{13}C$-CP/MAS NMR, the acetylation took place carbohydrates as well as lignin and hydroxyl group of amorphous region was more easily substituted that of crystalline region The spectral analyses of $^{13}C$-CP/MAS NMR were shown that introduced acetyl bond was stable against fungal attack.

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Revision of $^{13}C$ NMR Assignments of ${\beta}-Sitosterol$ and ${\beta}-Sitosteryl-3-O-{\beta}-D-glucopyranoside$ Isolated from Plantago asiatica Seed (질경이씨로 부터 분리한 ${\beta}-Sitosteryl-3-O-{\beta}-D-glucopyranoside$${\beta}-Sitosterol$$^{13}C$ NMR)

  • Chang, Il-Moo;YunChoi, Hye-Sook;Yamasaki, Kazuo
    • Korean Journal of Pharmacognosy
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    • v.12 no.1
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    • pp.12-14
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    • 1981
  • ${\beta}-Sitosteryl-3-O-{\beta}-D-glucopyranoside$ was isolated from the seeds of Plantago asiatica (Plantaginaceae). The assignments of $^{13}C$ NMR spectra of ${\beta}-sitosterol$ and ${\beta}-sitosteryl-3-O-{\beta}-D-glucopyranoside$ were made by comparing with $^{13}C$ NMR spectra of cholesterol and $cholesteryl-3-O-{\beta}-D-glucopyranoside$. Our data indicate that the revision of previous $^{13}C$ NMR spectral assignment is needed.

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$A^{13}$ CNMR Determination of Monomer Composition in EP Copolymers, EPB and EPDM Terpolymers (EP 공중합체, EPB 및 EPDM 삼중합체의 단량체조성에 관한 $^{13}C$-NMR 분석)

  • Lee, Kang-Bong;An, Seong-Uk;Rhee, Jae-Seong;Kweon, Jeehye;Choi, Young-Sang
    • Analytical Science and Technology
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    • v.7 no.1
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    • pp.91-102
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    • 1994
  • The monomer compositions in a series of propylene heterophasic copolymer, propylene random copolymer, propylene random terpolymer and ethylene-propylene-ENB terpolymer have been determined from $^{13}C-NMR$ spectra. The simplified and highly resolved $^{13}C-NMR$ spectra made it possible to assign unambiguousely and calculate the monomer composition. A complete sets of NMR chemical shift assignments and the way to measure the quantity of monomer are newly given in diverse polymers. Furthermore complete dyad, triad, tetrad and pentad distributions have been able to be determined. These NMR quantitative analytical results for monomer compostition have consistent with those from Infrared spectral data.

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Complete Assignment of $^1H$- and $^{13}C-NMR$ in (20R)-panaxadiol and (20R)-panaxatriol ((20R)-파낙사디올과 (20R)-파낙사트리올에 대한 $^1H$- 및 $^{13}C-NMR$의 완전동정)

  • Kim, Dong-Seon;Baek, Nam-In;Park, Jong-Dae;Lee, You-Hui;Kim, Shin-Il
    • YAKHAK HOEJI
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    • v.40 no.3
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    • pp.293-299
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    • 1996
  • The $^1H$- and $^{13}C$-NMR signals of (20R)-panaxadiol and (20R)-panaxatriol were completely assigned by the extensive application of modern 2D-NMR techniques, $^1H-^1H$ COSY, HMQC and HMBC.

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