• Title/Summary/Keyword: NMR analysis

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1H NMR-based metabolomic study of Cornus officinalis from different geographical origin

  • Jung, Young-Ae;Jung, Young-Sang;Hwang, Geum-Sook
    • Journal of the Korean Magnetic Resonance Society
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    • v.15 no.2
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    • pp.90-103
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    • 2011
  • Cornus officinalis (Cornaceae) is primarily grown in Asian countries. The pericarp of C. officinalis (Corni Fructus) is a well-known traditional medicine with tonic, analgesic, and diuretic properties. We analyzed methanolic extracts of Corni Fructus (grown in Korea and China) by $^1H$ NMR spectroscopy. Metabolite profiling was performed to characterize the metabolic difference between different Corni Fructus origins (Korea or China). Principal components analysis revealed significant separation between Comus Fructus from different origins. The metabolites responsible for differences were identified using loading plots, coefficients plots, and variable influence on projection followed by t-tests. As a result, 16 metabolites were identified and quantified; tyrosine, acetate, sucrose, and malate differed the most between origins. These data suggest that NMR-based metabolomics can be used to identify differences between Corni Fructus samples obtained from different regions.

NMR Spectrum Analysis of Plasma Lipoprotein Lipid (혈장 lipoprotein lipid의 NMR spectrum 분석 - 메틸기 및 메털렌기의 line width에 의한 악성 종양 진단 -)

  • Song, I.C.;Min, B.G.
    • Proceedings of the KIEE Conference
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    • 1987.07b
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    • pp.1296-1300
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    • 1987
  • NMR spectrum analysis is performed to obtain the preliminary data for cancer detection. As NMR spectrum of plasma is dominated by the resonances of water, the resonances of plasma lipoprotein lipid is obscured by the water resonance. Thus, we can obtain the signal of plasma lipoprotein lipid using Ultracentrifugation. we analyzed the spectrum measuring the mean line widths of the methyl and methylene resonances for normal control group. As a result, the line width was Hz To obtain a potentially valuable approach to the detection of cancer, the performance of additional clinical trials in larger populations will be made.

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Proper NMR methods for studying RNA thermometers

  • Kim, Won-Je;Kim, Nak-Kyoon
    • Journal of the Korean Magnetic Resonance Society
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    • v.19 no.3
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    • pp.143-148
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    • 2015
  • In some pathogenic bacteria, there are RNA thermometers, which regulate the production of virulence associated factors or heat shock proteins depending on temperature changes. Like a riboswitches, RNA thermometers are located in the 5'-untranslated region and involved translational gene regulatory mechanism. RNA thermometers block the ribosome-binding site and start codon area under the $37^{\circ}C$ within their secondary structure. After bacterial infection, increased the temperature in the host causes conformations changes of RNA, and the ribosome-binding site is exposed for translational initiation. Because structural differences between open and closed forms of RNA thermometers are mainly mediated by base pairing changes, NMR spectroscopy is a very useful method to study these thermodynamically changing RNA structure. In this review, we briefly provide a fundamental function of RNA thermometers, and also suggest a proper NMR experiments for studying RNA thermometers.

In-cell nuclear magnetic resonance spectroscopy for studying intermolecular interactions

  • Sugiki, Toshihiko;Lin, Yuxi;Lee, Young-Ho
    • Journal of the Korean Magnetic Resonance Society
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    • v.23 no.1
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    • pp.33-39
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    • 2019
  • Studies on the interactions of proteins with partner molecules at the atomic resolution are essential for understanding the biological function of proteins in cells and for developing drug molecules. Solution NMR spectroscopy has shown remarkably useful capability for investigating properties on the weak to strong intermolecular interactions in both diluted and crowded solution such as cell lysates. Of note, the state-of-the-art in-cell NMR method has made it possible to obtain atomistic information on natures of intermolecular interactions between target proteins with partner molecules in living cells. In this mini-review, we comprehensively describe the several technological advances and developments in the in-cell NMR spectroscopy.

Research fecal metabolite according to fed different ratios of roughage to concentrate on lactating cow using 1H-NMR analysis (조사료와 농후사료 급여비율에 따른 젖소 우분의 대사체 탐색)

  • Kim, Hyun Sang;Lee, Shin Ja;Eom, Jun Sik;Lee, Sung Sill
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.21 no.2
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    • pp.432-439
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    • 2020
  • This study examined the metabolites in different roughage to concentrate ratios using proton nuclear magnetic resonance spectroscopy (1H-NMR). Six lactating cows were divided into two groups that were fed different roughage to concentrate ratios (HR group = 8:2, HC group = 2:8). Feces samples were collected individually at one time, and the metabolites were analyzed using an SPE-800 MHz NMR-MS system. The metabolites were identified and quantified using a Chenomx NMR suite 8.4. Metabolic pathway analysis and principal component analysis were conducted using a Metaboanalyst 4.0. Statistical analysis was performed using a Dunnett's test on the SAS program. As a result, several metabolites were identified, and among them, 77 metabolites were used in statistical analysis. The levels of twelve metabolites were significantly higher in the HC group: succinate, dimethylamine, histamine, homovanillate, thymol, acetate, propionate, butyrate, isovalerate, valerate, imidazole, N-nitrosodimethylamine, and O-acetylcholine. In the HC group, the concentrations of all metabolites were higher than in the HR group, and the metabolic pathway was also different. This study is expected to be useful for a variety of livestock studies by 1H-NMR because it examined the change in metabolites in the body metabolism and microorganisms.

Temperature-dependent studies on catalytic hydrosilation of polyalkylsiloxane using NMR

  • Sul, Hyewon;Lee, Tae Hee;Lim, Eunsoo;Rho, Yecheol;Kim, Chong-Hyeak;Kim, Jeongkwon
    • Analytical Science and Technology
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    • v.30 no.4
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    • pp.213-219
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    • 2017
  • Polyalkylsiloxane has been spotlighted in pressure-sensitive adhesive (PSA) application due to excellent physical properties and good biocompatibility. Thermal behaviour of polyalkylsiloxane mixtures, such as thermal stability and heat flow, were studied using TG-DTA during catalytic hydrosilation. To understand reaction kinetics of cross-linking, catalytic hydrosilation of polyalkylsiloxane was monitored using variable temperature nuclear magnetic resonance (VT-NMR) as increased temperature. The formation of cross-linking bond $Si-CH_2-CH_2-Si$ was directly observed using distortionless enhanced by polarization transfer (DEPT) technique. Successfully polyalkylsiloxane PSA samples exhibited excellent adhesion properties by cross-linking reaction.

Analysis of Internal Quality and Magnetic Resonance Characteristics of Red Ginseng Using PCA (주성분 분석을 이용한 홍삼의 내부품질과 자기공명특성 분석)

  • 김성민;김철수
    • Journal of Biosystems Engineering
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    • v.28 no.3
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    • pp.261-268
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    • 2003
  • Ten MHz pulsed NMR spectrometer was used to measure the magnetic resonance characteristics of Korean red ginseng. The difference in the internal structures of good and bad red ginsengs was examined by their NMR characteristics. Average values of $T_1$ and free induction decay(FID) ratios of under grade Korean red ginseng were the highest among the three groups categorized as normal, medium and under grades Korean red ginseng and average values of $T_2$ and $T_2$$^{*}$ of them were the lowest among the three groups. Principal component analysis(PCA) was used to observe the contribution of measured NMR values to the grade of Korean red ginseng. The measured $T_1$, $T_2$, $T_2$$^{*}$ and FID ratio of 79 Korean red ginsengs classified as normal grade, medium grade and under grade were examined using PCA analysis. Cumulative variance of PC1 through PC3 occupied more than 90% of total variance at first and second NMR measurement. Plots of PC scores for the most important PCs showed that normal red ginseng samples were distributed around the left region of PC1 axis and most of the undergrade red ginseng samples were scattered around the right region of PC1 axis.

Structural Characterization of pre-miRNA 155

  • Kim, Won-Je;Shin, JiYeon;Bang, Kyeongmi;Song, Hyun Kyu;Kim, Nak-Kyoon
    • Journal of the Korean Magnetic Resonance Society
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    • v.20 no.2
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    • pp.46-49
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    • 2016
  • MiRNA-155, upregulated in various cancers, is one of the miRNAs that suppress apoptosis of human cancer. Thus, inhibition of the maturation of miRNA-155 could be an effective way to induce apoptotic cancer cell death. The apical stem-loop of the pre-miRNA-155 has been known as a Dicer biding site for RNA cleavage. Here, to understand the molecular basis of the tertiary interaction between pre-miRNA-155 with Dicer, we characterize the structure of the apical stem-loop of pre-miRNA-155 using NMR spectroscopy. The RNA has a stem-bulge-stem-loop-stem structure, which is consist of G-C Watson-Crick and G-U Wobble base pairs. The assignments of imino- protons were further confirmed by 2D $^{15}N-^1H$ HSQC NMR spectrum. The NMR parameters obtained in this study can be further used to investigate the tertiary interaction between pre-miRNA-155 and other biomolecules such as protein, nucleic acids, or small chemicals which might be used to control the apoptosis of cancer.

Construction of 19F-13C Solid-State NMR Probe for 400MHz Wide-Bore Magnet

  • Jeong, Ji-Ho;Park, Yu-Geun;Choi, Sung-Sub;Kim, Yongae
    • Journal of the Korean Magnetic Resonance Society
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    • v.17 no.2
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    • pp.81-85
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    • 2013
  • Various fluorine-containing materials are used in electronic devices like LCD display panels and Li-ion batteries. The structural conformation of fluorine in fluorinated materials is an important contributing factor that influences the chemical and physical properties. The conformation can be changed by heat and stress during manufacture or use. Understanding the conformational changes is critical for understanding the performance and durability of electronic devices. Solid-state NMR spectroscopy could be widely used for the analysis of various fluorine-containing materials for electronic devices. However, conventional CPMAS probes cannot be used for in-situ analysis of fluorine-containing electronic devices like LCD panels and Li-ion batteries. In this paper, we show the design, construction, and optimization of a $^{19}F-^{13}C$ double-resonance solid-state NMR probe for a 400MHz wide-bore magnet with a flat square coil for in-situ analysis of fluorine-containing electronic devices without observing fluorine background signals. This custom-built probe does not show any fluorine background signals, and can have higher efficiency for lossy samples.

1H-NMR and HPLC analysis on the chiral discrimination of β-blockers using (S)-2-tert-butyl-2-methyl-1,3-benzodioxole-4-carboxylic acid

  • Seo, Sang Hun;Mai, Xuan-Lan;Le, Thi-Anh-Tuyet;Kim, Kyeong Ho
    • Analytical Science and Technology
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    • v.34 no.1
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    • pp.9-16
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    • 2021
  • In the group of commonly prescribed β-blocker drugs, one of the enantiomers is generally relatively more active than the others. This study aims to develop a technique for the chiral analysis of select β-blockers based on proton nuclear magnetic resonance (1H-NMR) spectrometry. (S)-2-Tert-butyl-2-methyl-1,3-benzodioxole-4-carboxylic acid ((S)-TBMB) was synthesized and utilized as a chiral derivatizing agent. Pure β-blocker enantiomers were isolated from racemates by semi-preparative liquid chromatography prior to derivatization. The reaction time and concentration of (S)-TBMB were controlled to improve the derivatization procedure. No racemization was found during the analysis. High-performance liquid chromatography (HPLC) analysis was also performed for comparative purposes. High agreement between the NMR and HPLC methods was achieved in the determination of (R)-metoprolol in a standard solution of the (S) isomer.