• Bulletin of the Korean Chemical Society
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• v.31 no.9
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• pp.2717-2720
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• 2010

• 한국초전도학회:학술대회논문집
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• v.10
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• pp.61-64
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• 2000

$^{11}$B NMR measurements have been performed to investigate local electronic structure and 4f spin dynamics for TbNi$_2$B$_2$C single crystal. $^{11}$B NMR spectra show three resonance peaks due to the quadrupolar interaction. Shift and linewidth are huge and strongly temperature-dependent. In addition, both are proportional to magnetic susceptibility, indicating that the hyperfine field at the boron site originates from the 4f spins of Tb. $^{11}$B NMR shift and relaxation rates show high anisotropy for field parallel and perpendicular to the c-axis. Anisotropy of the shift and the relaxation rates suggests that the hyperfine field perpendicular to the c-axis is larger.

• Journal of the Korean Magnetic Resonance Society
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• v.21 no.1
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• pp.26-30
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• 2017

Dynamic properties of proteins can present key information on protein-ligand and protein-protein interaction. Despite their usefulness, the properties of protein dynamics have not been obtained easily due to protein stability and short-term measurement. Here, it is shown that combined method for analysis of dynamical properties. It utilizes predicted order parameter and NMR relaxation data such as $T_1$, $T_2$, and heteronuclear NOE. The suggested method could be used to know the flexibility of protein roughly without precise dynamical parameters such as order parameters through model-free analysis.

• Bulletin of the Korean Chemical Society
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• v.18 no.4
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• pp.415-424
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• 1997

Conformational flexibilities of the GlcNAc(β1,3)Gal(β)OMe are investigated through NMR spectroscopy and molecular modeling. Adiabatic energy map generated with a dielectric constant of 50 contains three local minima. All of the molecular dynamics simulations on three local minimum energy structures show fluctuations between two low energy structures, N2 at φ=80° and ψ=60° and N3 at φ=60° and ψ=-40°. We have presented adequate evidences to state that GlcNAc(β1,3)Gal(β)OMe exists in two conformationally discrete forms. Two state model of N2 and N3 conformers with a population ratio of 40:60 is used to calculate the effective cross relaxation rate and reproduces the experimental NOEs very well. Molecular dynamics simulation in conjunction with two state model proves successfully the dynamic equilibrium existed in GlcNAc(β1,3)Gal(β)OMe and can be considered as a powerful method to analyze the motional properties in the structure of carbohydrate. This observation also cautions against the indiscriminate use of a rigid model to analyze NMR data.

• Journal of the Korean Magnetic Resonance Society
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• v.22 no.2
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• pp.34-39
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• 2018

The Nuclear Magnetic Resonance (NMR) technique using Dynamic Nuclear Polarization (DNP) procedures is one of the promising techniques that enable overcoming low sensitivity problems in NMR spectroscopy. We constructed an ODNP-NMR system using a commercial benchtop EPR spectrometer. The $^1H$ NMR peak area of water in aqueous solutions of 4-hydroxy-TEMPO was enhanced more than 95 times in the ODNP-NMR experiments. Our signal enhancement results were about 55% of the previously reported result. This could be due to non-uniform microwave power over a sample and unwanted sample heating by microwave. However, this portable ODNP-NMR spectrometer will be eventually useful for site-specific detection with nano-scale spatial resolutions and molecular dynamics studies with significantly improved signal sensitivity.

• Journal of the Korean Magnetic Resonance Society
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• v.17 no.1
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• pp.19-23
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• 2013

The temperature dependences of the NMR spectrum and the spin-lattice relaxation times in $KH_2PO_4$ were investigated via single-crystal NMR and MAS NMR. The stretched-exponential relaxation that occurred because of the distribution of correlation times was indicative of the degree of the distribution of the double-well potential on the hydrogen bond. The behaviors responsible for the strong temperature dependences of the $^1H$ and $^{31}P$ spin-lattice relaxation times in the rotating frame $T_{1{\rho}}$ in $KH_2PO_4$ are likely related to the reorientational motion of the hydrogen-bond geometry and the $PO_4$ tetrahedral distortion.

• Bulletin of the Korean Chemical Society
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• v.29 no.5
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• pp.911-912
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• 2008

• Bulletin of the Korean Chemical Society
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• v.19 no.2
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• pp.178-183
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• 1998

Carbon-13 CP-MAS NMR techniques were used to investigate dynamics of new combined type liquid crystalline polymers, poly[oxy-1,4-phenyleneoxy-2-{6-(4-(4-butylphenylazo)phenoxy)hexyloxy}terephthaloyl] and poly[oxy-1,4-phenyleneoxy-2-{10-(4-(4-butylphenylazo)phenoxy)decyloxy}terephthaloyl]. Noticeable mobility change of either aromatic groups or methylene groups is not detected between 25 ℃ and 82 ℃ from 13C spinlattice relaxation time in the rotating frame (T1ρ(C)) and contact time array experiments. However, line shape analysis shows the increase of mobility of methylene carbons in poly[oxy-1,4-phenyleneoxy-2-{6-(4-(4-butylphenylazo)phenoxy)hexyloxy}terephthaloyl] at higher temperature. The dynamics of side chanis does not seem to be affected in our experimental temperature range by the length of aliphatic chain which is connecting the side chain group to the main chain.

• Journal of the Korean Magnetic Resonance Society
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• v.21 no.2
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• pp.55-62
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• 2017

It is now well established that RNAs exhibit fundamental roles in regulating cellular processes. Many of these RNAs do not exist in a single conformation. Rather, they undergo dynamic transitions among many different conformations to mediate critical interactions with other biomolecules such as proteins, RNAs, DNAs, or small molecules. Here, we briefly review NMR techniques that describe the dynamic behavior of RNA by determining structural, kinetic, and thermodynamic properties.

• Journal of the Korean Magnetic Resonance Society
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• v.20 no.4
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• pp.102-108
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• 2016

With the rapid increase of data on protein-protein interactions, the need for delineating the 3D structures of huge protein complexes has increased. The protocols for determining nuclear magnetic resonance (NMR) structure can be applied to modeling complex structures coupled with sparse experimental restraints. In this report, I suggest the use of multiple rigid bodies for improving the efficiency of NMR-assisted structure modeling of huge complexes using CYANA. By preparing a region of known structure as a new type of residue that has no torsion angle, one can facilitate the search of the conformational spaces. This method has a distinct advantage over the rigidification of a region with synthetic distance restraints, particularly for the calculation of huge molecules. I have demonstrated the idea with calculations of decaubiquitins that are linked via Lys6, Lys11, Lys27, Lys29, Lys33, Lys48, or Lys63, or head to tail. Here, the ubiquitin region consisting of residues 1-70 was treated as a rigid body with a new residue. The efficiency of the calculation was further demonstrated in Lys48-linked decaubiquitin with ambiguous distance restraints. The approach can be readily extended to either protein-protein complexes or large proteins consisting of several domains.