• 제목/요약/키워드: 1D and 2D NMR

검색결과 920건 처리시간 0.029초

Solution Structure of pA2, the Mimotopic Peptide of Apolipoprotein A-I, by NMR Spectroscopy

  • Won, Ho-Shik
    • Bulletin of the Korean Chemical Society
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    • 제32권11호
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    • pp.4016-4020
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    • 2011
  • A number of mimetic peptides of apolipoprotein A-I, a major component for high density lipoproteins (HDL), were screened from the phase-displayed random peptide library by utilizing monoclonal antibodies (A12). A mimetic peptide for A12 epitope against apolipoprotein A-I was selected as FVLVRDTFPSSVCCP(pA2) exhibiting 45% homology with Apo A-I in the BLAST search. Solution structure determination of this mimotope was made by using 2D-NMR data and NMR-based distance geometry (DG)/molecular dynamic calculations. The resulting DG structures had low penalty value of 0.4-0.6 ${\AA}^2$ and the total RMSD of 0.7-1.7 ${\AA}$. The mimotope pA2 exhibited a characteristic ${\beta}$-turn conformation from Val[2] to Phe[8] near Pro[9] residue.

버섯균사체 배양물로부터 면역증진 기능성 소재 개발

  • 김정옥
    • 식품저장과 가공산업
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    • 제6권2호
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    • pp.11-13
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    • 2007
  • This study relates to low and medium molecular weight isoflavone-${\beta}$-D-glucan produced by submerged liquid culture of Agaricus blazei, a method of producing the isoflavone-B-D-glucan using autolysis enzyme of Agaricus blazei mycelia, and use of the isoflavone-B-D-glucan for anti-cancer and immunoenhancing effect. In acordance with one aspect of the present study, it deals with a method of producing isoflavone-${\beta}$-D-glucan, which comprises the followings; 1) culturing and separating mushroom mycelia, 2) producing low-medium molecular weight isoflavone-${\beta}$-D-glucan from high molecular weight one. The cytotoxicity on human cnacer cell line (Caco-2, MCF-7), the expression of Cyclin D, Bcl-2, Bax protein, p21 protein, p53 protein in MCF-7 cells assessed by SDS-PAGE and immunoblotting, and other immuno related factor such as TNF-a and IL-1B activities were examined. Structural identification of isoflavone-${\beta}$-D-glucan which shoed cytotoxicity against cancer cell and immunoenhancing effects was carried by separation with DEAE-cellulose column chromatography, TLC, HPLC, IR, NMR, Clinical test for the cancer patients (n=119) for 6 month was carried out, and immunoenhancing factors(NK cell number, ratio of T4/T8) were checked. We concluded the identified isoflavone-${\beta}$-D-glucan has immuno enhancing effects and could be useful for cancer chemoprevention.

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프로톤 핵자기공명스펙트럼 측정법에 의한 수용액중 파라시클로판과 나프탈렌 유도체들간의 포접 복합체 형성에 관한 연구 (Nuclear Magnetic Resonance Spectroscopic Study on Inclusion Complexation of Paracyclophane with Naphthalene Derivatives in Aqueous Solution)

  • 전인구
    • Journal of Pharmaceutical Investigation
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    • 제23권3호
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    • pp.155-163
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    • 1993
  • Inclusion complexation of 1,7,21,27-tetraaza[7.1.7.1]paracyclophane (CPM 55) with 2,7-dihydroxynaphthalene (2,7-DHN) or 1,3-dihydroxynaphthalene (1,3-DHN) in pD 1.17 $DCl-D_2O$ solution was investigated by $^1H$ nuclear magnetic resonance spectroscopy (NMR) using 4,4'-dimethylaminodiphenylmethane (ACM 11) as an acyclic analog of CPM 55. In CPM 55-naphthalene derivative complex, alkyl protons located in the cavity of CPM 55 were shown to be subjected to anisotropic shielding and protons of naphthalene moiety shifted remarkably to upfield. However, in ACM 11-naphthalene derivative systems, chemical shifts for protons of both DHN compounds were not significant. The remarkable chemical shift changes suggested that the naphthalene moiety of 2,7-DHN or 1,3-DHN was included in the hydrophobic cavity of CPM 55 in aqueous solution. From the continuous variation plots of induced chemical shifts of 2,7-DHN, it was found that 2,7-DHN was included in the cavity of CPM 55 at 1:1 molar stoichiometry. Both computer simulation of a inclusion complex and strong upfield chemical shift changes of 2,7-DHN protons supported the conformation of pseudoaxial inclusion as the presumed geometry of the host-guest complex.

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Conformational Study of Decamer DNA Duplex $d(ACGTATACGT)_2$ by NMR Spectroscopy

  • Lee, Joon-Hwa;Park, Jin-Young;Han, Hi-Jung;Park, Byong-Seok
    • 한국자기공명학회논문지
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    • 제1권2호
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    • pp.63-70
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    • 1997
  • The conformation of the self-complementary decamer duplex, d(ACGTATACGT)2 (TATA-duplex) has been studied by proton NMR spectroscopy. The duplex is essentially B-type, with distortions apparent at the TATA steps. These conformational distortion which may be preferable to occur in the thymine residue on the 5'-side, has been investigated by unusual NOE crosspeaks.

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Flavonoids from Spatholobus Suberectus

  • Yoon, Jeong-Seon;Sung, Sang-Hyun;Park, Jong-Hee;Kim, Young-Choong
    • Archives of Pharmacal Research
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    • 제27권6호
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    • pp.589-593
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    • 2004
  • Two pterocarpans [(6aR,11aR)-maackiain, (6aR,11aR)-medicarpin], one flavanone [(2S)-7-hydroxy-G-methoxy-flavanone], one isoflavan (sativan) and two isoflavones (pseudobaptigenin, genistein) were isolated from the Spatholobus suberectus (Leguminosae). Their chemical structures were determined by comparison of their spectroscopic parameters of CD, ElMS, 1D-NMR and 2D-NMR with those reported in the literatures. All of these compounds are reported for the first time from this plant through the present study.

저령(Grifola umbellata)균핵의 추출성분 (Chemical Constituents of the Sclerotia of Grifola umbellata)

  • 이학주;이경태;박영기;이민웅
    • 임산에너지
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    • 제21권1호
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    • pp.16-24
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    • 2002
  • 저령의 균획으로부터 3개의 알카로이드와 2개의 스테로이드 화합물을 분리하였다. 단리된 물질들은 NMR, MS 등의 기기분석에 의해 9-β-D-ribofuranosyladenine (adenosine)을 비롯하여 1-β-D-ribofuranosyluracil (uridine), 그리고 2, 4-pyrimidinedione (uracil)과 ergosta-4, 6, 8 (14), 22-tetraen-3-one, ergosta-5, 7, 22-tritene-3β-ol (ergosterol)으로 각각 동정하였다.

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The Inhibitory Effect of Eupatilin on Helicobacter Pylori-Induced Release of Leukotriene $D_4$ in the Human Neutrophils and Gastric Mucosal Cells

  • Lee, Jung-Jin;Han, Bok-Gee;Kim, Mal-Nam;Chung, Myung-Hee
    • The Korean Journal of Physiology and Pharmacology
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    • 제1권5호
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    • pp.573-580
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    • 1997
  • In this report, the inhibitory action of eupatilin was investgated by using leukotriene $D_4$ in the human neutrophils and Kato III cells (Gastric adenoma cells as a substitute for gastric mucosal cells) stimulated by Helicobacter pylori. Leukotriene $D_4$ ($LTD_4$) was released from both neutrophils and Kato III cells when these cells were incubated with H. pylori. The release of $LTD_4$ increased time-dependently and the maximum release of $LTD_4$ was $2.3{\sim}2.5$ pmol. But in the presence of eupatilin, the release of $LTD_4$ from these cells was inhibited in a dose-dependent manner. In the neutrophils, the release of $LTD_4$ was suppressed to 70% and 50% of the control levels when neutrophils was incubated with 0.01 and 0.1 mM of eupatilin. In the Kato III cells, the release of $LTD_4$ was suppressed to 59% and 27% of the control levels by adding 0.01 and 0.1 mM of eupatilin. We estimated the intracellular $Ca^{2+}$ levels when Kato III cells and neutrophils were stimulated by H. pylori using $^{45}Ca$. But the suppressive effect of eupatilin on $Ca^{2+}$ influx into these cells was not significant. We also obtained the results that H. pylori induced $Ca^{2+}$ influx into these cells by confocal microscopy, however there was no differences in the dose level of eupatilin. These results were confirmed by 1H Nuclear Magnetic Resonance(NMR) spectroscopy. The NMR patterns of eupatilin in the absence of $Ca^{2+}$ was changed compare with when $Ca^{2+}$ was present, but its effect was not strong.

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꾸지뽕나무 뿌리로부터 Cudratricusxanthone A와 Cudraxanthone D의 분리 및 함량 분석 (Isolation and Quantitative Analysis of Cudratricusxanthone A and Cudraxanthone D from Roots of Cudrania tricuspidata Bureau)

  • 박수연;김은남;정길생
    • 생약학회지
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    • 제50권1호
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    • pp.59-64
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    • 2019
  • Cudrania tricuspidata Bureau (Moraceae) has been used for physical weakness, impotence and insomnia in traditional Korean medicine. In this study, cudratricusxanthone A and cudraxanthone D were isolated from roots of C. tricuspidata and quantification were achieved by using high performance liquid chromatography (HPLC) method with diode array detector. The isolated compound was identified by NMR analysis and HPLC method was validated by linearity, precision and specificity test. The results showed that calibration curves of two compounds indicated great linearity with a correlation coefficient ($R^2$) of 0.9976 and 0.9995. The limits of detection (LOD) for cudratricusxanthone A and cudraxanthone D were 1.15, $0.11{\mu}g/ml$. Intra-day precision of cudratricusxanthone A and cudraxanthone D were 0.32~1.99%, 0.09~3.32% and inter-day precision were 0.59~2.40%, 0.28~1.55% RSD (%) values, respectively. The specificity was confirmed by chromatograph and quantitative contents of cudratricusxanthone A and cudraxanthone D were $0.46{\pm}0.02%$ and $1.53{\pm}0.06%$. Therefore, this study can be used as a basic research data for the quantitative analysis of derived compounds from roots of C. tricuspidata.

생강나무에서 분리한 Flavonoid 배당체의 화학구조 (Isolation and Structure Elucidation of Flavonoid Glycosides from Lindera obtusiloba BL.)

  • 박종철;유영법;이종호
    • 한국식품영양과학회지
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    • 제25권1호
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    • pp.76-79
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    • 1996
  • 생강나무 (Libdera obtusiloba BL.)의 페놀성 화합물들을 분리하기 위하여 잎고 줄기의 MeOH 엑스로부터 계통 분획한 EtOAc 분획물은 silica gel column chro-matography로 분리하여 2종의 화합물을 얻었다. IR, UV,$^1H-NMR$, $^13C-NMR$ 등의 분석을 행하여 화학구조를 밝힌 결과 이들 화합물의 화학구조는 잎에서 $quer-cetin-3-O-\alpha-L-rhamnopyranoside(quercitrin),$ 줄기에서는 quercetin $3-O-\beta-D-galactoyranoside(hyperoside)로$ 각각 결정하였다. 이 화합물들은 생강나무에서 처음으로 분리하였다.

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북극유래 박테리아, Pseudomonas aeruginosa로 부터 대사산물들의 분리 및 항진균 활성 (Isolation of secondary metabolites from an Arctic bacterium, Pseudomonas aeruginosa and their antimicrobial activities)

  • 윤의중;김민주;한세종;임정한
    • 미생물학회지
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    • 제52권4호
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    • pp.415-420
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    • 2016
  • 북극 유래 박테리아인 Pseudomonas aeruginosa 균주의 대사산물에 대한 화학적 연구는 벤조산 유도체 6번을 포함하여, 두 개의 diketopiperazine 1과 2, 두 개의 phenazine alkaloid 3과 4, indole carbaldehyde 5번을 분리하였다. 화합물들의 구조는 1D 과 2D NMR, 및 MS 기법들과 기존 보고된 문헌 값 과의 비교에 의하여 동정되었다. 분리된 화합물들 중 5번과 6번은 북극 척지해 해수의 P. aeruginosa로 부터 처음으로 보고 되었다. 대사산물들 1-6의 항균 활성은 Staphylococcus aureus과 and Candida albicans에 대하여 측정하였다.