• Title/Summary/Keyword: HMQC

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HMQC vs HSQC for Small Molecules

  • Kim, Eunhee;Cheong, Hae-Kap
    • Journal of the Korean Magnetic Resonance Society
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    • v.21 no.4
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    • pp.131-134
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    • 2017
  • Proton detected Heteronuclear Multiple Quantum Coherence (HMQC) and Heteronuclear Single Quantum Coherence (HSQC) essentially provide the same information - correlation of the chemical shift of the proton to J-coupled hetero nuclei such as $^{13}C$ or $^{15}N$ nuclei. This paper is a practical note for the students who ask which one is better and which methods they use routinely. Artifact suppression using phase cycling and gradient pulses are discussed.

The NMR Assignments of Torilin from Torilis japonica

  • Kang, Sam-Sik;Lee, Eun-Bang;Kim, Tae-Hee;Kim, Kyung-Ran;Jung, Jee-Hyung
    • Archives of Pharmacal Research
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    • v.17 no.4
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    • pp.284-286
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    • 1994
  • A guaian type sesquiterpene, torilin, was isolated from the hexane extract of the fruits of Torilis japonica. The $^1H{\;}and{\;}^{13}C-sinals$ of this compound have been fully assigned utilizing $^1H-^1H$ COSY, HMQC, and HMBC experiments.

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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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$^{13}C$ NMR Analysis for the Characterization of Heme Electronic/Molecular Structure in Horse Myoglobin Cyanide (Myoglobin 시안 단백질에 포함된 Heme에 대한 전자 및 분자구조 규명을 위한 $^{13}C$ NMR분석)

  • Lee, Kang-Bong;Kweon, Jee-Hye;Lee, Ho-Jin;Kim, Young-Man;Choi, Young-Sang
    • Analytical Science and Technology
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    • v.11 no.1
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    • pp.73-78
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    • 1998
  • The reverse detection heteronuclear multiple quantum coherence, HMQC study of metcyano complex of horse myoglobin(MbCN) has provided the complete assignment of hyperfine shifted resonances of heme carbons attached with proton(s). The application of HMQC experiment to the paramagnetic low-spin MbCN gives clear $^1H$ and $^{13}C$ coherences for the paramagnetic amino acid residues as well as heme side chains, and can be extended to the low-spin paramagnetic hemoprotein derivative for the assignment of natural abundance $^{13}C$ resonances. This assignment strategy can avoid possible ambiguities that may result from the sole utilization of $^1H$ nuclear Overhauser effect for the assignment of heme $^1H$ signals resonating in the diamagnetic region. The resulting 2,4-vinyl ${\alpha}$-carbons and 7-propionate ${\beta}$-carbon follow anomalous anti-Curie behavior, and are indicative of incoplanarity with heme plane. Magnetic/electronic asymmetry of heme induced by proximal histidine(His) makes spread that the hyperfine shifted heme carbon resonances over the range of 250 ppm at $25^{\circ}C$. These heme carbon resonances would be the much more sensitive probe than those of proton resonances in analyzing the nature of heme electronic structure of myoglobin.

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Studies on Chemical Structure Determination of Polygonatum sibiricum Extracts(I) (황정(黃精) 추출물의 화학구조 결정에 관한 연구(I))

  • 신동수;윤중호;박주희;권기락;안철진;주우홍;강진호;문병호
    • Journal of Life Science
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    • v.9 no.2
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    • pp.207-211
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    • 1999
  • Biologically active compounds in Polygonatum sibiricum were extracted using organic solvents as hexane, CHCl$_3$, n-butanol corresponding each component. Compound I was purified from hexane layer and the chemical structure of compound I was characterized using 1H-NMR, 13C-NMR, DEPT135, COSY, HMQC, HMBC spectrum and MS-spectrum. Consequently, the chemical structure of compound I was determined as 9,12-(9E,l2E)-octade cadienoic acid.

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Studies on Chemical Structure Determination of Polygonatum sibiricum Extracts(II) (황정(黃精) 추출물의 화학구조 결정에 관한 연구(II))

  • 신동수;김흥재;조수동;권기락;안철진;주우홍;강진호;문병호
    • Journal of Life Science
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    • v.9 no.2
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    • pp.212-215
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    • 1999
  • Biologically active compounds in Polygonatum sibiricum were extracted using organic solvents as hexane, CHC1$_3$, n-butanol corresponding each component. Compound II was purified from hexane layer and the chemical structure of compound II was characterized using IH-nmr, 13C-nmr, DEPT135, COSY, HMQC, HMBC spectrum and MS-spectrum. Consequently, the chemical structure of compound II was determined as 2-Hydroxy-3-(9,12-(9E,12E)-Octadecadienoyloxy) propanoic acid.

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Nitrogen Isotope Labeled Tetraheme Cytochrome c3 on a Defined Medium

  • Kim, Andre;Park, Jang-Su
    • Bulletin of the Korean Chemical Society
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    • v.26 no.2
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    • pp.278-280
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    • 2005
  • To obtain cytochrome $c_3$ labeled with a stable isotope, the conditions of cultivation and the composition of medium for DvMF were examined. The growth of DvMF was steady and reproducible under purging with $N_2$ and under pH control. DvMF was able to go on a defined medium without natural products. The composition of medium containing a small amount of $NH_4C$l as sole nitrogen source was established. Then, uniformly $^{15}N$labeled cytochrome $c_3$ was obtained during the culture of DvMF in a defined medium with $^{15}NH_4$Cl; it was confirmed by $^1H-^{15}N$ HMQC.

The Chemical Constituents from Unidentified Sponge (해면의 화학적 성분 연구)

  • Park, Seon Gu;Paul J. Scheuer
    • Journal of the Korean Chemical Society
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    • v.38 no.2
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    • pp.169-173
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    • 1994
  • The previously reported cytotoxic metabolites, against the KB cell line, xestoquinone, halenaquinol sulfate and $halenaquinol^{5,6}$ were isolated from the unidentified sponge collected in October 1992, Manado Bay, Sulawesi in Indonesia. Their structure were elucidated by $^1H-,\;^{13}C$-NMR, $^1H-,\;^{13}C$(1 bond) Heteronuclear Multiple Quantum Coherence Spectroscopy$(HMQC)^1$, $^1H-,\;^{13}C$C(2 and 3 bond) Heteronuclear multiple Bond Correlation Spectroscopy$(HMBC)^2$, Electron Impact Mass Spectroscopy(EI ms), Ultraviolet Spectroscopy(UV), and Infrared Spectroscopy(IR)

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Isolation and Identification of Stilbene glycosides from the Bark of Pinus koraiensis (잣나무 수피의 Stilbene glycosides의 분리 및 동정)

  • Song, Hong-Keun
    • Journal of the Korean Wood Science and Technology
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    • v.29 no.4
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    • pp.97-102
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    • 2001
  • EtOAc extract from the bark of Pinus koraiensis Sieb. et Zucc was isolated by column chromatography which was packed with Sephadex LH-20 or TSK-gel HW-40F. Several stilbene glycosides were identified by $^1H{\cdot}^{13}C$-NMR, HMQC, HMBC and $FAB^+$ MS. Three stilbene glycosides, Z-pinostilbenoside, E-desoxyrhaponticin, and E-resveratroloside, were identified.

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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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