• Title/Summary/Keyword: $^1H$ nuclear magnetic resonance

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Isolation of 3,4-Dihydroxybenzoic Acid, Which Exhibits Antimicrobial Activity, from Fruits of Gardenia jasminoides Ellis (치자 열매에서 항미생물 활성을 갖는 3,4-Dihydroxybenzoic Acid의 분리)

  • Yim, Cheol-Keun;Moon, Jae-Hak;Park, Keun-Hyung
    • Korean Journal of Food Science and Technology
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    • v.31 no.5
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    • pp.1386-1391
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    • 1999
  • The methanol extract of Gardenia jasminoides Ellis showed antimicrobial activity against bacteria and yeasts. The extract was successively purified with solvent fractionation, silica gel adsorption column chromatography, Sephadex LH-20 column chromatography, octadecylsilane column chromatography. The purified active substance was isolated by high performance liquid chromatography. The isolated compound was 3,4-dihydroxybenzoic acid which was determined by mass spectrometer, gas chromatograph-mass spectrometer, $^{1}H-nuclear$ magnetic resonance, $^{13}C-nuclear$ magnetic resonance and two-dimensional nuclear magnetic resonance. The content of 3,4-dihydroxybenzoic acid was $32.7\;{\mu}g/g$ in dried fruits of Gardenia jasminoides Ellis.

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Nuclear Magnetic Resonance (NMR)-Based Quantification on Flavor-Active and Bioactive Compounds and Application for Distinguishment of Chicken Breeds

  • Kim, Hyun Cheol;Yim, Dong-Gyun;Kim, Ji Won;Lee, Dongheon;Jo, Cheorun
    • Food Science of Animal Resources
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    • v.41 no.2
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    • pp.312-323
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    • 2021
  • The purpose of this study was to use 1H nuclear magnetic resonance (1H NMR) to quantify taste-active and bioactive compounds in chicken breasts and thighs from Korean native chicken (KNC) [newly developed KNCs (KNC-A, -C, and -D) and commercial KNC-H] and white-semi broiler (WSB) used in Samgye. Further, each breed was differentiated using multivariate analyses, including a machine learning algorithm designed to use metabolic information from each type of chicken obtained using 1H-13C heteronuclear single quantum coherence (2D NMR). Breast meat from KNC-D chickens were superior to those of conventional KNC-H and WSB chickens in terms of both taste-active and bioactive compounds. In the multivariate analysis, meat portions (breast and thigh) and chicken breeds (KNCs and WSB) could be clearly distinguished based on the outcomes of the principal component analysis and partial least square-discriminant analysis (R2=0.945; Q2=0.901). Based on this, we determined the receiver operating characteristic (ROC) curve for each of these components. AUC analysis identified 10 features which could be consistently applied to distinguish between all KNCs and WSB chickens in both breast (0.988) and thigh (1.000) meat without error. Here, both 1H NMR and 2D NMR could successfully quantify various target metabolites which could be used to distinguish between different chicken breeds based on their metabolic profile.

Chiral Recognition in Gas chromatographic Resolution of Amino -$^1H\;and^{13}C$ Nuclear magnetic resonance studies of hydrogen bonding in dinmide chiral stationary phases-

  • Park, Man-Ki;Yang, Jeong-Sun;Sohn, Dong-Hwan;Lee, Mi-Young
    • Archives of Pharmacal Research
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    • v.12 no.1
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    • pp.58-61
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    • 1989
  • Studies of selectivity of hydrogen bond formation in chiral solute-solvent systems have been performed by $^1H\;and\;^{13}C$ nuclear magnetic resonance techniques. These data are correlated with the results of gas chromatographic investigations of the same systems. Interactions between the optically active solvent(N-(N-benzoyl-L-amino acid)-anilide) and optically active solute (N-trifluoroacetyl -L-alanyl isopropyl ester) were examined. NMR evidence indicated that hydrogen bonding interaction occurred between two N-H portion and on peptidyl carbonyl portion in stationary phase and solute molecule on three points. The association constants of solvent-solute interaction were calculated and the structure of the diastereomeric association complex between N-(N-benzoyl-L-valyl)-anilide and N-TFA-L-alanyl isopropyl ester was proposed.

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Chemical Structural Features of Humic-like Substances (HULIS) in Urban Atmospheric Aerosols Collected from Central Tokyo with Special Reference to Nuclear Magnetic Resonance Spectra

  • Katsumi, Naoya;Miyake, Shuhei;Okochi, Hiroshi
    • Asian Journal of Atmospheric Environment
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    • v.12 no.2
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    • pp.153-164
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    • 2018
  • We measured $^1H$ and $^{13}C$ nuclear magnetic resonance (NMR) spectra of Humic-like substances (HULIS) in urban atmospheric aerosols isolated by diethylaminoethyl (DEAE) and hydrophilic-lipophilic balance (HLB) resin to characterize their chemical structure. HULIS isolated by DEAE resin were characterized by relatively high contents of aromatic protons and relatively low contents of aliphatic protons in comparison with HULIS isolated by HLB resin, while the contents of protons bound to oxygenated aliphatic carbon atoms were similar. These results were consistent with the results of the $^{13}C$ NMR analysis and indicate that hydrophobic components were more selectively adsorbed onto HLB, while DEAE resins selectively retained aromatic carboxylic acids. Furthermore, we demonstrated that the chemical structural features of HULIS were significantly different between spring and summer samples and that these disparities were reflective of their different sources. The estimated concentrations of HULIS in spring were found to be regulated by vehicle emissions and pollen dispersion, while the behavior of HULIS in summer was similar to photochemical oxidant and nitrogen dioxide concentrations. The proportion of aliphatic protons for summer samples was higher than that for spring samples, while the proportion of aromatic protons for summer samples was lower than that for spring samples. These seasonal changes of the chemical structure may also involve in their functional expression in the atmosphere.

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

  • Jung, Jee-Youn;Hwang, Geum-Sook
    • Journal of the Korean Magnetic Resonance Society
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    • v.15 no.1
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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.

Development of NMR Based Prototype Sensor for Non-destructive Sugar Content Measurement in Fruits. (수소 핵자기공명을 이용한 과실의 비괴적 당도측정 시작기의 개발)

  • 조성인;정창호
    • Journal of Biosystems Engineering
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    • v.21 no.3
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    • pp.336-342
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    • 1996
  • A 4.1MHz$1^H$ Nuclear Magnetic Resonance(NMR) sensor was designed and manufactured to evaluate the internal quality of fruits. The magnet console having 963gauss magnetic field induction was used for the NMR sensor. To optimize and evaluate the NMR sensor, glycerol and sugar-water solutions were used. $^1$H(proton) resonance signals were used to estimate the sugar contents in fruits. Artificial neural network models were developed to predict sugar contents in fruits from the proton resonance signals. The standard errors of prediction(SEP) were 0.565(apple), 0.394(pear) and 0.415(kiwi), respectively. The result implied that it was possible to evaluate apple, pear and kiwi into 3 grades using the NMR sensor.

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Prototype of NMR Based Sensor For Non-Destructive Sugar Content Measurement in Fruits

  • Cho, Seoung-In;Chung, Chang-Ho
    • Proceedings of the Korean Society for Agricultural Machinery Conference
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    • 1996.06c
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    • pp.305-312
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    • 1996
  • A 4.1MHz 1H Nuclear Magnetic Resonance (NMR) sensor was designed and manufactured to evaluate the internal quality of fruit. The magnet console having 963 gauss magnetic field induction was used for the NMR sensor. To optimize evaluate the NMR sensor, glycerol and sugar-water solutions were used. 1H(proton) resonance signals were use of to estimate the sugar contents in fruits the proton resonance signals and were validated . The standard errors of predictions(SEP) were 0.565(apple) , 0.394(pear) and 0.415(kiwi) respectively. The result implied that is possible to evaluate apple , pear and kiwi into 3 grades using the NMR sensor.

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Comparison of in Vivo, in Vitro 3T MR Spectroscopy and Proton NMR Spectroscopy for the Fluid from Cystic Tumor: Preliminary Study (낭성 종양의 체액에 대한 생체내, 생체외 3T 양성자 자기공명분 광법과 양성자 핵자기공명기법의 비교: Preliminary Study)

  • Lee, Hui-Joong;Kim, Jong-Yeol;Chang, Yong-Min
    • Investigative Magnetic Resonance Imaging
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    • v.12 no.2
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    • pp.107-114
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    • 2008
  • Purpose : The aim of this study is to determine possibility of application of in vivo proton ($^1H$) magnetic resonance spectroscopy (MRS) in distinguishing cystic mass arising around pancreas by comparison of in vivo MRS, in vitro MRS using 3T MR machine, based on nuclear magnetic resonance (NMR). Materials and Methods : We obtained spectra of in vivo MRS, in vitro MRS and NMR from abdominal mass arising around pancreas (mucinous cystic neoplasm=5, intraductal papillary mucin producing tumor=5, pseudocyst=1, and lymphangioma=1). We estimated existence of peak of in vivo MRS, and in vitro MRS concordant to that of NMR. We also evaluated differential peak for predicting specific disease. Results : Correlation of presence of peak with NMR showed showed sensitivity of 29.6%, specificity of 82.6% and accuracy of 67.7% on in vivo MRS (p = 0.096, McNemar test), sensitivity of 57.1% and specificity of 92.6% and accuracy of 82.3% on in vitro MRS (p = 0.362, McNemar test). The spectra of NMR for IPMT showed more frequent peaks at 3.5-4.0 ppm (p=0.026). Conclusion : Although chemical analysis, using NMR could be regarded as possible tool to differentiate cystic masses, in vivo and in vitro MRS need further technical evolution for clinical application.

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Detection of electromagnetic interference shielding effect of Hanji mixed with carbon nanotubes using nuclear magnetic resonance techniques

  • Byun, Young Seok;Chae, Shin Ae;Park, Geun Yeong;Lee, Haeseong;Han, Oc Hee
    • Carbon letters
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    • v.27
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    • pp.90-97
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    • 2018
  • Electromagnetic interference (EMI) shielding is an important issue in modern daily life due to the increasing prevalence of electronic devices and their compact design. This study estimated EMI-shielding effect (EMI-SE) of small ($8-14{\times}17mm$) Hanji (Korean traditional paper) doped with carbon nanotubes (CNTs) and compared to Hanji without CNT using $^2H$ (92.1 MHz) and $^{23}Na$ (158.7 MHz) nuclear magnetic resonance (NMR) peak area data obtained from 1 M NaCl in $D_2O$ samples in capillary tubes that were wrapped in the Hanji samples. The simpler method of using the variation of reflected power and tuning frequency by inserting the sample into an NMR coil was also tested at 242.9, 158.7, and 92.1 MHz. Overall, EMI shielding was relatively more effective at the higher frequencies. Our results validated that NMR methods to be useful to evaluate EMI-SE, particularly for small, flexible shielding materials, and demonstrated that EMI shielding by absorption is dominant in Hanji mixed with CNT.

Nuclear Magnetic Relaxation in Anisotropic Heisenberg Antiferromagnet $MnCl_{2}.4H_{2}O$ (Heisenberg 반강자성체 $MnCl_{2}.4H_{2}O$의 핵자기완화 연구)

  • Chang Hoon Lee;Cheol Eui Lee
    • Journal of the Korean Magnetics Society
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    • v.5 no.1
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    • pp.54-57
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    • 1995
  • We have studied the room temperature $^{1}H$ nuclear magnetic relaxation in anisotropic antiferromagnet $MnCl_{2}.4H_{2}O$ using a wide range of $^{1}H$ NMR (nuclear magnetic resonance) field. Being a system of dense paramagnetic $Mn^{++}$ ions at room temperature, $MnCl_{2}.4H_{2}O$ shows some features that can be expected from dilute paramagnetic systems, as well as some results that drastically deviate from the dilute paramagnetic approximations. Besides, $^{1}H$ nuclei exhibit an anomalous deviation in the spin-lattice relaxation time ($T_{1}$) around the field of 0.7 T.

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