• 제목/요약/키워드: NMR analysis

검색결과 1,402건 처리시간 0.034초

Quantitative Analysis of Chloride by Heteronuclear Electronic Reference NMR Method

  • Lee, Sueg-Geun
    • 한국자기공명학회논문지
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    • 제11권2호
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    • pp.115-121
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    • 2007
  • A new quantitative analysis of chloride by the HERETIC NMR method which does not need internal or external references was described. The results showed that the use of HERETIC peak corresponding $500\;{\mu}g/mL$ of chloride calibration showed less than 4 % standard deviations from 50 to $5000\;{\mu}g/mL$ range of chloride concentrations.

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Metabolic profiling study of ketoprofen-induced toxicity using 1H NMR spectroscopy coupled with multivariate analysis

  • Jung, Jee-Youn;Hwang, Geum-Sook
    • 한국자기공명학회논문지
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    • 제15권1호
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    • pp.54-68
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    • 2011
  • $^1H$ nuclear magnetic resonance (NMR) spectroscopy of biological samples has been proven to be an effective and nondestructive approach to probe drug toxicity within an organism. In this study, ketoprofen toxicity was investigated using $^1H$-NMR spectroscopy coupled with multivariate statistical analysis. Histopathologic test of ketoprofen-induced acute gastrointestinal damage in rats demonstrated a significant dose-dependent effect. Furthermore, principal component analysis (PCA) derived from $^1H$-NMR spectra of urinary samples showed clear separation between the vehicle-treated control and ketoprofen-treated groups. Moreover, PCA derived from endogenous metabolite concentrations through targeted profiling revealed a dose-dependent metabolic shift between the vehicle-treated control, low-dose ketoprofen-treated (10 mg/kg body weight), and high-dose ketoprofen-treated (50 mg/kg) groups coinciding with their gastric damage scores after ketoprofen administration. The resultant metabolic profiles demonstrated that the ketoprofen-induced gastric damage exhibited energy metabolism perturbations that increased urinary levels of citrate, cis-aconitate, succinate, and phosphocreatine. In addition, ketoprofen administration induced an enhancement of xenobiotic activity in fatty oxidation, which caused increase levels of N-isovalerylglycine, adipate, phenylacetylglycine, dimethylamine, betaine, hippurate, 3-indoxylsulfate, N,N-dimethylglycine, trimethyl-N-oxide, and glycine. These findings demonstrate that $^1H$-NMR-based urinary metabolic profiling can be used for noninvasive and rapid way to diagnose adverse drug effects and is suitable for explaining the possible biological pathways perturbed by nonsteroidal anti-inflammatory drug toxicity.

1H-NMR 스펙트럼의 다변량통계분석을 통한 넙치(Paralichthys olivaceus)의 백신 반응의 지표물질 분석 (Multivariate Analysis on 1H-NMR Spectroscopy of Olive Flounder Paralichthys olivaceus Serum)

  • 조지영
    • 한국수산과학회지
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    • 제45권4호
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    • pp.367-371
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    • 2012
  • To investigate the relationship between metabolic changes in $^1H$-nuclear magnetic resonance (NMR) spectra and fish vaccination, serum was collected from olive flounders treated with a formalin-killed Edwardsiella tarda vaccine and used for $^1H$-NMR metabolite profiling. Principal component analysis and partial least squares were applied to the $^1H$-NMR profile to reduce its complexity and establish class-related clusters. Relative lipid regions were distinguished in vaccinated and non-vaccinated serum. Then, the lipids were extracted from the serum and analyzed. Triolein was identified.

계면활성제 첨가에 따른 가스하이드레이트 생성 결정과 $^{13}C$ NMR 구조 분석 고찰 (Investigation of Gas Hydrate Crystallization and Structure Analysis by $^{13}C$ NMR with Surfactant)

  • 조병학;이영철;신명욱;이성한
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2006년도 춘계학술대회
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    • pp.395-398
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    • 2006
  • 동일한 조건에서 순수한 물과 계면활성제인 DBS(dodecyl bezebe sulfonic acid) 25ppm을 첨가한 물에 대해 천연가스 하이드레이트를 제조시 가스의 함유량은 각각 80배와 160배로 2배의 차이가 발생한다. 이에 대해 본 연구에서는 결정 생성 형태의 관찰 및 $^{13}C$ NMR을 사용한 분광학적 구조 분석으로부터 이의 원인을 찾고자 하였다. 순수한 물과 DBS를 미량 함유한 물을 사용하여 whiskery 결정을 생성시킨 결과, 순수한 물을 사용한 경우보다 섬유 다발 형태가 매우 활발한 형태의 결정 형태로 가스하이드 레이트가 생성됨을 알 수 있었다. 또한 400MHz의 NMR을 사용한 분광학적 구조 분석으로부터 천연가스하이드레이트는 구조-I과 구조-II가 혼재된 결정 구조를 이루고 있음을 알 수 있었다. 또한 DBS를 함유한 물에 의해 제조된 천연가스하이드레이트는 arge cage를 많이 생성시키는 역할을 하는 분석 결과를 보였고 이것이 가스 함유량을 증대시키는 원인 중의 하나임을 알 수 있었다.

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Hard Tissue Analysis of NMR after Fluoride Administration

  • Kim, Hye-Young;Nam, Seoul-Hee;Han, Man-Seok
    • Journal of Magnetics
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    • 제21권4호
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    • pp.599-602
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    • 2016
  • Fluoride (F) is an important element for the mineralization of body tissues. The purpose of this study was to administer fluoride prenatally to rats to evaluate its beneficial concentration for rat bone using microstructural analysis, to analyze its effect on the bone structure, and to evaluate the effect of its transfer through rat placenta. Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance spectrometry (NMR) were performed. The $^{19}F$ NMR and $^{31}P$ NMR signals suggested the existence of fluoride ions in the apatite lattice because the signals were caused by the fluoride ions that were coupled to the phosphate atoms and were affected in the phosphate phases other than the element phases in the apatite. Consequently, if it was not affected too much, the desirable concentration of prenatal fluoride treatment could have a helpful effect on the bone crystal structure through placental fluoride transfer.

HERETIC-NMR법을 이용한 인의 정량분석 (Quantitative analysis of phosphorus by HERETIC-NMR method)

  • 임헌성;박찬조;이석근
    • 분석과학
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    • 제21권5호
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    • pp.438-441
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    • 2008
  • We have developed an alternative to the internal chemical reference based on a calibrated reference signal which is not a real NMR line but an electronically produced signal (HERETIC) and determined the phosphorus concentration using this method. The area ratio of HERETIC and sample peaks obtained from the standard samples was used to measure the concentrations of different samples directly. The analysis of phosphorus by this method showed the excellent linear regression coefficient ($R^2=0.9999$) for the concentration range from 20 ppm to 500 ppm with HERETIC peak as reference.

Thermal and structural analysis of a cryogenic conduction cooling system for a HTS NMR magnet

  • In, Sehwan;Hong, Yong-Ju;Yeom, Hankil;Ko, Junseok;Kim, Hyobong;Park, Seong-Je
    • 한국초전도ㆍ저온공학회논문지
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    • 제18권1호
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    • pp.59-63
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    • 2016
  • The superconducting NMR magnets have used cryogen such as liquid helium for their cooling. The conduction cooling method using cryocoolers, however, makes the cryogenic cooling system for NMR magnets more compact and user-friendly than the cryogen cooling method. This paper describes the thermal and structural analysis of a cryogenic conduction cooling system for a 400 MHz HTS NMR magnet, focusing on the magnet assembly. The highly thermo-conductive cooling plates between HTS double pancake coils are used to transfer the heat generated in coils, namely Joule heating at lap splice joints, to thermal link blocks and finally the cryocooler. The conduction cooling structure of the HTS magnet assembly preliminarily designed is verified by thermal and structural analysis. The orthotropic thermal properties of the HTS coil, thermal contact resistance and radiation heat load are considered in the thermal analysis. The thermal analysis confirms the uniform temperature distribution for the present thermal design of the NMR magnet within 0.2 K. The mechanical stress and the displacement by the electromagnetic force and the thermal contraction are checked to verify structural stability. The structural analysis indicates that the mechanical stress on each component of the magnet is less than its material yield strength and the displacement is acceptable in comparison with the magnet dimension.