• Title/Summary/Keyword: NMR study

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NMR for magnetite

  • Lee, Soonchil
    • Journal of the Korean Magnetic Resonance Society
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    • v.22 no.4
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    • pp.101-106
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    • 2018
  • Magnetite is the oldest magnet material known to mankind. It is getting attention again from solid state physics researchers now a days because it is one of the most strongly correlated electron systems. Spin, charge, and orbital orders are interplaying with lattice and involved in the Verwey transition where magnetization, conductivity, and structure changes suddenly. The peculiar ordering states above and below the transition temperature mainly originate from the coexistence of $Fe^{2+}$ and $Fe^{3+}$ ions in the B site of the inverse spinel structure. In particular, the state of the charge and orbital order was the oldest and most intriguing problem. NMR has made significant contribution to the investigation of this question. A. Abragam stated that there is no doubt that NMR is a very powerful tool for the study of ferromagnetic and antiferromagnetic materials. In this mini-review, a short history of NMR investigation of magnetite is presented, providing a support to Abragam's claim.

Solvent-localized in-situ NMR Monitoring by Intermolecular Single-quantum Coherence Study

  • Cha, Jin Wook;Park, Sunghyouk
    • Journal of the Korean Magnetic Resonance Society
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    • v.24 no.4
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    • pp.96-103
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    • 2020
  • A new NMR method to monitor solvent-localized NMR signals in the two-phase liquid system is suggested. This method based on intermolecular single-quantum coherence (iSQC). Here, we exploited the feature of the local action of distant dipolar field (DDF) effect in order to filter out specific NMR signals dissolved in different solvents. This solvent specific iSQC spectroscopy was carried out on a model two-phase liquid system (D-glucose in water/palmitic acid in chloroform), and showed solvent-localized NMR signals. We believe our approaches might be useful in metabolic analysis such as two-phase liquid extraction scheme for labile chemical species.

NMR methods for structural analysis of RNA: a Review

  • Kim, Nak-Kyoon;Nam, Yun-Sik;Lee, Kang-Bong
    • Journal of the Korean Magnetic Resonance Society
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    • v.18 no.1
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    • pp.5-9
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    • 2014
  • In last three decades, RNA molecules have been revealed to play the central roles in many cellular processes. Structural understanding of RNA molecules is essential to interpret their functions, and many biophysical techniques have been adopted for this purpose. NMR spectroscopy is a powerful tool to study structures and dynamics of RNA molecules, and it has been further applied to study tertiary interactions between RNA molecules, RNA-protein, and RNA-small molecules. This short article accounts for the general methods for NMR sample preparations, and also partially covers the resonance assignments of structured RNA molecules.

A Conformational Study of Linkage Positions in Oligosaccharides Investigated by 2-D NMR Spectroscopy and Molecular Modeling

  • Yoo Yoon, Eun-Sun
    • Bulletin of the Korean Chemical Society
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    • v.24 no.3
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    • pp.339-344
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    • 2003
  • The conformation of synthetic oligosaccharide can be elucidated by employing molecular modeling and highfield proton NMR (nuclear magnetic resonance) spectroscopy. Information with respect to the composition and configuration of saccharide residues and the sequence and linkage positions of the oligosaccharide can be obtained by employing a variety of one- and two-dimensional NMR techniques and molecular modeling. These techniques are also useful in establishing the solution conformation of the oligosaccharide moiety. This study is focused on the elucidation of linkage positions of synthetic trisaccharides, Gal(β1-4)Glc(β1-3)Glc, Gal(β1-4)Glc(β1-4)Glc and Gal(β1-4)Glc(β1-6)Glc.

Recent advances of 17O NMR spectroscopy

  • Lin, Yuxi;Kim, Hak Nam;Lee, Young-Ho
    • Journal of the Korean Magnetic Resonance Society
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    • v.23 no.2
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    • pp.56-60
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    • 2019
  • Study on the structure and dynamics of molecules at the atomic level is of great significance for understanding their function and stability as well as roles for various chemico-physical and biological processes. $^{17}O$ NMR spectroscopy has appeared as an elegant technique for investigating of the physicochemical and structural properties of oxygen-containing compounds such as metal organic frameworks and nanosized oxides. This method has drawn much attention as it provides unique insights into the properties of targets based on atomistic information of local oxygen environments which is otherwise difficult to obtain using other methods. In this mini review, we introduce and discuss the recent study and developments of $^{17}O$ NMR techniques which are tailored for the investigation on the structure and dynamics of water and inorganic materials.

The Development of Quantification Technique for Brain In vivo Proton NMR Spectroscopy (뇌의 양성자 핵자기공명 분광학을 위한 정량화 방법 개발)

  • 강해진
    • Progress in Medical Physics
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    • v.12 no.1
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    • pp.31-39
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    • 2001
  • NMR spectroscopy enables us to measure the molar concentration of the metabolites in the organisms, and this technique is the only method to measure the concentration non-invasively. The proton NMR spectroscopy has been used to study the biochemical changes in human as well as in animal brain. MRI uses the proton densities and its relaxation times for reconstructing images, but MRS gives the biochemical changes inside the body. NMR spectroscopy could provide the information which MRI and CT could not, and this makes NMR spectroscopy more useful in diagnosing diseases. This study was tried to develop the quantitation of the molar concentration of the metabolites in the brain using the proton MR spectroscopy. The spectra of each metabolites was obtained, and the proton MR spectra was obtained from the insula gray matter areas of the 16 volunteers. And this spectra was analyzed to estimated the molar concentrations of the metabolites in the region. The results showed the very similar to those of the others.

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Xenon-129 NMR Method for the Study of Heterogeneous Catalysts (크세논-129 핵자기 공명 분광법을 이용한 불균일계 촉매의 연구)

  • Ryoo, Ryong
    • Applied Chemistry for Engineering
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    • v.2 no.1
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    • pp.1-11
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    • 1991
  • Xenon-129 NMR technique has been developed since 1980 as a new method for the characterization of microporous materials such as zeolites, activated carbons and alumina by using chemical shift and linewidth variations in $^{129}Xe$ NMR of adsorbed xenon gas. This NMR technique has been known to be very effective to probe the locational and the chemical changes of the supported metallic species as well as the physicochemical change of the support material. Recently, this method has been successfully applied for the characterization of amorphous materials such as activated carbons, silica and alumina. Basic principles, experimental techniques and recent applications of the $^{129}Xe$ NMR method for the study of heterogeneous catalysts are introduced in this paper.

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Chemical Structure Study on Copolyterephthalates Based on Ethylene Glycol and 1, 4-Cyclohexane Dimethanol by High Resolution NMR Analysis (고분해능 NMR 분석법에 의한 에틸렌글리콜과 1, 4-시클로헥산디메탄올의 테레프탈산 공중합체의 화학구조 연구)

  • Yoo, Hee-Yeoul;Kim, Sang-Wook;Okui, Norimasa
    • Applied Chemistry for Engineering
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    • v.4 no.4
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    • pp.770-775
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    • 1993
  • Chemical structure of poly(ethylene terephthalate-co-1, 4-cyclohexylene dimethylene terephthalate), P(ET-CT) copolyesters was investigated by High Resolution NMR analysis. The copolymer composition and isomeric ratio were determined by methylene resonance peaks which were separated into three peaks corresponding to ET, trans CT and cis CT units, respectively. The copolymer sequence distribution was evaluated from the carbon resonance peaks connected to carbonyl groups in benzene, indicating died distribution. According to statistics model, these copolyesters are almost random copolymers. The copolymer sequence distribution could be simulated and its averaged length was calculated by random copolymer statistics.

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Hydrogen Bonds in GlcNAc( β1,3)Gal( β)OMe in DMSO Studied by NMR Spectroscopy and Molecular Dynamics Simulations

  • Shim, Gyu-Chang;Shin, Jae-Min;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.25 no.2
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    • pp.198-202
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    • 2004
  • Hydrogen bond is an important factor in the structures of carbohydrates. Because of great strength, short range, and strong angular dependence, hydrogen bonding is an important factor stabilizing the structure of carbohydrate. In this study, conformational properties and the hydrogen bonds in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO are investigated through NMR spectroscopy and molecular dynamics simulation. Lowest energy structure in the adiabatic energy map was utilized as an initial structure for the molecular dynamics simulations in DMSO. NOEs, temperature coefficients, SIMPLE NMR data, and molecular dynamics simulations proved that there is a strong intramolecular hydrogen bond between O7' and HO3' in GlcNAc( ${\beta}$1,3)Gal(${\beta}$)OMe in DMSO. In aqueous solution, water molecule makes intermolecular hydrogen bonds with the disaccharides and there was no intramolecular hydrogen bonds in water. Since DMSO molecule is too big to be inserted deep into GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe, DMSO can not make strong intermolecular hydrogen bonding with carbohydrate and increases the ability of O7' in GlcNAc(${\beta}$1,3)Gal(${\beta}$)OMe to participate in intramolecular hydrogen bonding. Molecular dynamics simulation in conjunction with NMR experiments proves to be efficient way to investigate the intramolecular hydrogen bonding existed in carbohydrate.