• 제목/요약/키워드: NMR study

검색결과 1,363건 처리시간 0.028초

Discrimination of Turkish Propolis from Different Geographical Origins by NMR Spectroscopy

  • Young Kee Chae;Hakbeom Kim;Emine Sonay Elgin
    • 한국자기공명학회논문지
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    • 제28권3호
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    • pp.20-24
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    • 2024
  • In a study utilizing NMR spectroscopy and chemometrics, propolis samples from seven diverse geographic regions across Turkey were analyzed. To identify the optimal method for studying both the antimicrobial properties and compositional variations of propolis from different regions, we investigated metabolite extraction using three solvents: water only, ethanol only, and sequential water-ethanol extraction for residual components. Notably, water-soluble components exhibited significant variation among the samples, which is particularly interesting considering the potability of propolis in water-based solutions. Furthermore, the Muğla sample displayed a distinct water-soluble profile, likely due to its unique coastal location on the Aegean Sea. This specific climate may influence the propolis' chemical composition, resulting in a different mixture of components. Interestingly, the Muğla sample contained pharmaceutically active compounds like cinnamate, ferulate, and verapamil. This research establishes a valuable foundation for further exploration of propolis' antimicrobial potential.

유기 리간드와 비정질 실리카겔의 상호 작용에 대한 17O 고상핵자기공명 분광분석 연구: 실리카 표면 구조 및 지각의 탈수반응에 대한 의의 (17O Solid-State NMR Study of the Effect of Organic Ligands on Atomic Structure of Amorphous Silica Gel: Implications for Surface Structure of Silica and Its Dehydration Processes in Earth's Crust)

  • 김현나;이성근
    • 한국광물학회지
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    • 제25권4호
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    • pp.271-282
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    • 2012
  • 비정질 실리카겔은 Si와 O로 이루어진 가장 간단한 화합물로서, 표면에 다양한 구조의 물과 수산기, 그리고 합성과정에서 형성된 유기 리간드(ligand)를 함유하고 있어, 지권, 수권, 그리고 생물권의 상호작용을 이해하는 모델 시스템으로서 의미를 갖는다. 본 연구에서는 $^{17}O$ NMR 분광분석을 통해 비정질 실리카겔의 Si-O-Si와 Si-OH 산소 원자환경의 차이를 규명하고자 하였다. 이를 위해 $SiCl_4$의 수화반응을 통해 $^{17}O$이 집적된 비정질 실리카겔을 합성하였다. $^1H$$^{29}Si$ NMR 분광분석 결과, 비정질 실리카겔 표면에는 다양한 수소결합 세기를 가진 물과 수산기 이외에, Si-$O{\cdots}R$ 형태의 유기 리간드가 존재함을 확인하였다. 이와 같은 유기 리간드는 에탄올 또는 증류수를 이용해 비정질 실리카겔을 초음파 세척함으로써 상당부분 제거 가능하다. $^{17}O$ NMR 분광분석 결과, 짧은 펄스 길이($0.175{\mu}s$)를 이용한 $^{17}O$ NMR 스펙트럼에서 Si-O-Si와 Si-OH 산소원자 환경이 거의 구분되지 않고 나타나는 반면, 특정 실험조건($2{\mu}s$ 펄스길이)의 $^{17}O$ NMR 스펙트럼에서는 약 0 ppm에서 빠른 동역학적 특성을 가지는 Si-OH로 추정되는 피크가 관찰되었다. 이 피크는 비정질 실리카겔 표면의 유기 리간드가 제거됨에 따라 더 뚜렷하게 관찰되며, 이는 유기 리간드와 비정질 실리카의 산소원자 사이의 상호작용이 존재함을 지시한다. 이와 같은 상호작용은 비정질 실리카겔 표면의 수산기의 원자구조에 대한 정보를 제공하며, 이를 통해 규산염 지구물질의 탈수반응 기작에 대한 이해를 고양시킬 수 있다. 따라서 궁극적으로 지구물질의 탈수반응에 기인하여 일어나는 섭입대의 중간깊이(약 70~300 km)에서 일어나는 지진의 미시적인 원인에 대한 실마리를 제시할 것으로 기대된다.

비정상 열확산 현상 의 실험적 연구 (Experimental study of unsteady thermally stratified flow)

  • 이상준;정명균
    • 대한기계학회논문집
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    • 제9권6호
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    • pp.767-776
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    • 1985
  • 본 연구에서는 초기 조건(입구 R$_{i}$수)의 변화에 따른 속도 분포, 온도 분 포, 확산율, 계면의 변화등을 연구하며, 난류 혼합과 계면의 불안정에 기인한 속도장 과 온도장의 변화과정을 가시화 사진과 비교 분석한다.다.

고분자의 비파괴 연구를 위한 핵자기 공명 현미영상법 (NMR Microimaging for Noninvasive Investigation of Polymers)

  • 이동훈;고락길;문찬홍;조장희
    • 대한의용생체공학회:학술대회논문집
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    • 대한의용생체공학회 1995년도 추계학술대회
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    • pp.253-256
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    • 1995
  • Polymers have been one of the emerging biomedical materials in the area of biomedical research which are applicable to the human body. For human applications, noninvasive characterization of the biomedical polymers has been one of the important topics, and is valuable information. Among others, the swelling rate is one of the important measurements needed for the hydrophilic polymers. NMR imaging has been a suitable method for the noninvasive study of such a material since it is sensitive to many physical and biochemical changes of the specimens. In addition, NMR techniques possess many useful intrinsic properties such as the relaxation and diffusion effects. The present study has provided a noble and noninvasive method of measuring the process of swelling as well as volumetric changes occurred in polymers and drug delivery processes in a drug delivery system (DDS) together with changes of released drug. This gives information, relating with both water ingress process, volumetric changes of polymer specimens and the visualization of sequential drug delivery process. Also, this study provides more reliable method to ascertain the time dependent swelling process compared to the conventional method. The important aspects is that the proposed method is truly noninvasive and is able to ascertain time dependent processes.

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NMR Study on the Preferential Binding of the Zα Domain of Human ADAR1 to CG-repeat DNA Duplex

  • Lee, Ae-Ree;Choi, Seo-Ree;Seo, Yeo-Jin;Lee, Joon-Hwa
    • 한국자기공명학회논문지
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    • 제21권3호
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    • pp.90-95
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    • 2017
  • The Z-DNA domain of human ADAR1 ($Z{\alpha}_{ADAR1}$) produces B-Z junction DNA through preferential binding to the CG-repeat segment and destabilizing the neighboring AT-rich region. However, this study could not answer the question of how many base-pairs in AT-rich region are destabilized by binding of $Z{\alpha}_{ADAR1}$. Thus, we have performed NMR experiments of $Z{\alpha}_{ADAR1}$ to the longer DNA duplex containing an 8-base-paired (8-bp) CG-repeat segment and a 12-bp AT-rich region. This study revealed that $Z{\alpha}_{ADAR1}$ preferentially binds to the CG-repeat segment rather than AT-rich region in a long DNA and then destabilizes at least 6 base-pairs in the neighboring AT-rich region for efficient B-Z transition of the CG-repeat segment.

An NMR study on the intrinsically disordered core transactivation domain of human glucocorticoid receptor

  • Kim, Do-Hyoung;Wright, Anthony;Han, Kyou-Hoon
    • BMB Reports
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    • 제50권10호
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    • pp.522-527
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    • 2017
  • A large number of transcriptional activation domains (TADs) are intrinsically unstructured, meaning they are devoid of a three-dimensional structure. The fact that these TADs are transcriptionally active without forming a 3-D structure raises the question of what features in these domains enable them to function. One of two TADs in human glucocorticoid receptor (hGR) is located at its N-terminus and is responsible for ~70% of the transcriptional activity of hGR. This 58-residue intrinsically-disordered TAD, named tau1c in an earlier study, was shown to form three helices under trifluoroethanol, which might be important for its activity. We carried out heteronuclear multi-dimensional NMR experiments on hGR tau1c in a more physiological aqueous buffer solution and found that it forms three helices that are ~30% pre-populated. Since pre-populated helices in several TADs were shown to be key elements for transcriptional activity, the three pre-formed helices in hGR tau1c delineated in this study should be critical determinants of the transcriptional activity of hGR. The presence of pre-structured helices in hGR tau1c strongly suggests that the existence of pre-structured motifs in target-unbound TADs is a very broad phenomenon.

Re-evaluation of physicochemical and NMR data of triol ginsenosides Re, Rf, Rg2, and 20-gluco-Rf from Panax ginseng roots

  • Cho, Jin-Gyeong;In, Seo-Ji;Jung, Ye-Jin;Cha, Byeong-Ju;Lee, Dae-Young;Kim, Yong-Bum;Yeom, Myeonghun;Baek, Nam-In
    • Journal of Ginseng Research
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    • 제38권2호
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    • pp.116-122
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    • 2014
  • Ginseng roots were extracted with aqueous methanol, and extracts were suspended in water and extracted successively with ethyl acetate and n-butanol. Column chromatography using the n-butanol fraction yielded four purified triol ginseng saponins: the ginsenosides Re, Rf, Rg2, and 20-gluco-Rf. The physicochemical, spectroscopic, and chromatographic characteristics of the ginsenosides were measured and compared with reports from the literature. For spectroscopic analysis, two-dimensional nuclear magnetic resonance (NMR) methods such as $^1H$-$^1H$ correlation spectroscopy, nuclear Overhauser effect spectroscopy, heteronuclear single quantum correlation, and heteronuclear multiple bond connectivity were employed to identify exact peak assignments. Some peak assignments for previously published $^1H$-and $^{13}C$-NMR spectra were found to be inaccurate. This study reports the complete NMR assignment of 20-gluco-Rf for the first time.

NMR-based metabolomic profiling of the liver, serum, and urine of piglets treated with deoxynivalenol

  • Jeong, Jin Young;Kim, Min Seok;Jung, Hyun Jung;Kim, Min Ji;Lee, Hyun Jeong;Lee, Sung Dae
    • 농업과학연구
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    • 제45권3호
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    • pp.455-461
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    • 2018
  • Deoxynivalenol (DON), a Fusarium mycotoxin, causes health hazards for both humans and livestock. Therefore, the aim of this study was to investigate the metabolic profiles of the liver, serum, and urine of piglets fed DON using proton nuclear magnetic resonance ($^1H-NMR$) spectroscopy. The $^1H-NMR$ spectra of the liver, serum, and urine samples of the piglets provided with feed containing 8 mg DON/kg for 4 weeks were aligned and identified using the icoshift algorithm of MATLAB $R^2013b$. The data were analyzed by multivariate analysis and by MetaboAnalyst 4.0. The DON-treated groups exhibited discriminating metabolites in the three different sample types. Metabolic profiling by $^1H-NMR$ spectroscopy revealed potential metabolites including lactate, glucose, taurine, alanine, glycine, glutamate, creatine, and glutamine upon mycotoxin exposure (variable importance in the projection, VIP > 1). Forty-six metabolites selected from the principal component analysis (PCA) helped to predict sixty-five pathways in the DON-treated piglets using metabolite sets containing at least two compounds. The DON treatment catalyzed the citrate synthase reactions which led to an increase in the acetate and a decrease in the glucose concentrations. Therefore, our findings suggest that glyceraldehyde-3-phosphate dehydrogenase, citrate synthase, ATP synthase, and pyruvate carboxylase should be considered important in piglets fed DON contaminated feed. Metabolomics analysis could be a powerful method for the discovery of novel indicators underlying mycotoxin treatments.

Localized In Vivo $^{31}P$ NMR Studies on Rabbit Skeletal Muscle Tissue from Premortem to Postmortem Period

  • Choe, Bo-Young;Kim, Sung-Eun;Lee, Hyoung-Koo;Suh, Tae-Suk;Lee, Heung-Kyu;Shinn, Kyung-Sub
    • 한국자기공명학회논문지
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    • 제3권1호
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    • pp.1-11
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    • 1999
  • Localized in vivo 31P NMR spectroscopy was applied to evaluate the postmortem catabolism of high energy phosphates in rabbit skeletal muscle tissue. In the premortem processes all of the important high energy phosphate metabolites were characterized, and particularly phosphocreatine (PCr) resonance signal was the strongest. In the immediate phases of the postmortem processes the signal intensities of PCr, phosphomonoesters (PME), phosphodiesters(PDE), $\alpha$-, $\beta$- and ${\gamma}$-adenosine triphosphate (ATP) resonance began to decrease while the signal intensity of inorganic phosphorus (Pi) resonance began to increase. The present study suggests that localized in vivo 31P NMR spectroscopy may provide more precise biochemical information of the early postmortem period based on the metabolic alterations of phosphate. The unique ability of localized in vivo 31P NMR spectroscopy to offer noninvasive information about tissue biochemistry in animals as well as human may have an impact on thanatochronology and medicolegal science.

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Modulation of the Specific Interaction of Cardiolipin with Cytochrome c by Zwitterionic Phospholipids in Binary Mixed Bilayers: A $^2H$-and $^{31}P$-NMR Study

  • Kim, Andre;Jeong, In-Chul;Shim, Yoon-Bo;Kang, Shin-Won;Park, Jang-Su
    • BMB Reports
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    • 제34권5호
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    • pp.446-451
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    • 2001
  • The interaction of cytochrome c with binary phospholipid mixtures was investigated by solid-state $^2H$- and $^{31}P$-NMR. To examine the effect of the interaction on the glycerol backbones, the glycerol moieties of phosphatidylcholine (PC), and cardioliph (CL) were specifically deuterated. On the binding of cytochrome c to the binary mixed bilayers, no changes in the quadrupole splittings of each of the components were observed for the PC/PG, PE/CL and PE/PG liposomes. In contrast, the splittings of CL decreased on binging of protein to the PC/CL liposomes, although those of PC did not change at all. This showed that cytochrome c specifically interacts with CL in PC/CL bilayers, and penetrates into the lipid bilayer to some extent so as to perturb the dynamic structure of the glycerol backbone. This is distinctly different from the mode of interaction of cytochrome c with other binary mixed bilayers. In the $^{31}P$-NMR spectra, line broadening and a decrease of the chemical shift anisotropy were observed on the binding of cytochrome c for all binary mixed bilayers that were examined. These changes were more significant for the PC/CL bilayers. Furthermore, the line broadening is more significant for PC than for CL in PC/CL bilayers. Therefore, it can be concluded that with the polar head groups, not only CL but also PC are involved in the interaction with cytochrome c.

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