• Journal of the Korean Magnetic Resonance Society
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• v.26 no.4
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• pp.66-70
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• 2022

Protein structure determination using NMR spectroscopy requires a suite of heteronuclear 3-D NMR experiments that can take a couple of weeks for completion. During the experiments, protein samples may suffer from slow degradation due to co-purifying proteases, which complicates and slows down the assignment procedure. Here we describe a practical protocol to avoid unwanted proteolysis during the experiment.

• Journal of the Korean Magnetic Resonance Society
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• v.12 no.1
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• pp.14-25
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• 2008

To investigate the 3-bond connectivity of human brain metabolites by scalar coupling interaction through 2D-correlation spectroscopy (COSY) techniques using high field NMR spectroscopy. All NMR experiments were performed at 298K on Unity Inova 500 or 600 (Varian Inc.) equipped with a triple resonance probe head with z-shield gradient. Human brain metabolites were prepared with 10% $D_2O$. Two dimensional 2D COSY spectra were acquired with 4096 complex data points in $t_2$ and 128 or 256 increments in $t_1$ dimension. The spectral width was 9615.4 Hz and solvent suppression was achieved using presaturation using low power irradiation of the water resonance during 2s of relaxation delay. NMR data were processed using VNMRJ (Varian Instrument) software and all the chemical shifts were referenced to the methyl resonance of N-acetyl aspartate (NAA) peak at 2.0 ppm. Total 10 metabolites such as N-acetyl aspartate (NAA), creatine (Cr), choline (Cho), glutamine (Gln), glutamate (Glu), myo-inositol (Ins), lactate (Lac), taurine (Tau), ${\gamma}$-aminobutyricacid (GABA), alanine (Ala) were included for major target metabolites. Symmetrical 2D-COSY spectra were successfully acquired. Total 14 COSY cross peaks were observed even though there were parallel/orthogonal noisy peaks induced by water suppression. Except for Cr, all of human brain metabolites produced COSY cross peaks. The spectra of NAA methyl proton at 2.02 ppm and Glu methylene proton ($CH_2(3)$) at 2.11 ppm and Gln methylene proton ($CH_2(3)$) at 2.14 ppm were overlapped in the similar resonance frequency between 2.00 ppm and 2.15 ppm. The present study demonstrated that in vitro 2D-COSY represented the 3-bond connectivity of human brain metabolites by scalar coupling interaction. This study could aid in better understanding the interactions between human brain metabolites in vivo 2D-COSY study. Also it would be helpful to determine the molecular stereochemistry in vivo by using two-dimensional MR spectroscopy.

• Progress in Medical Physics
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• v.21 no.1
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• pp.22-28
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• 2010

To evaluate the potential value of $^1H$ Magnetic resonance spectroscopy (MRS) for detecting and characterizing invasive ductal carcinoma of breast. We conducted $^1H$ Magnetic resonance spectroscopy (MRS), using a 3.0T MR scanner, on 40 patients who were histologically diagnosed to have invasive ductal carcinoma (IDC); tumor areas of the patients were designated as experimental samples, and non-tumor areas as control samples. The peak at 3.2 ppm is characteristically intense and observed in 34 cases of the total 40 invasive ductal carcinoma (sensitivity 86.2%; specificity 100%; positive predictive value 100%; negative predictive value 60%). In constrast peak at 1.3 ppm is characteristically intense and observed in normal breast (sensitivity 86.2%; specificity 100%; positive predictive value 100%; negative predictive value 60%). The study shows that $^1H$ MRS can effectively discriminate invasive ductal carcinoma from normal breast in most cases. It also demonstrates the feasibility of localized in vivo $^1H$ MRS technique as a new diagnostic modality in the detection of breast tumor.

• Investigative Magnetic Resonance Imaging
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• v.19 no.4
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• pp.231-236
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• 2015

A 17-year-old girl presented with complaints of headache and decreasing vision of one month's duration, without any history of fever, weight loss, or any evidence of an immuno-compromised state. Her neurological examination was normal, except for papilledema. Laboratory investigations were within normal limits, except for a slightly increased Erythrocyte Sedimentation Rate (ESR). Non-contrast computerized tomography of her head revealed complex mass in left frontal lobe with a concentric, slightly hyperdense, thickened wall, and moderate perilesional edema with mass effect. Differential diagnoses considered in this case were pilocytic astrocytoma, metastasis and abscess. Magnetic resonance imaging (MRI) obtained in 3.0 Tesla (3.0T) scanner revealed a lobulated outline cystic mass in the left frontal lobe with two concentric layers of T2 hypointense wall, with T2 hyperintensity between the concentric ring. Moderate perilesional edema and mass effect were seen. Post gadolinium study showed a markedly enhancing irregular wall with some enhancing nodular solid component. No restricted diffusion was seen in this mass in diffusion weighted imaging (DWI). Magnetic resonance spectroscopy (MRS) showed increased lactate and lipid peaks in the central part of this mass, although some areas at the wall and perilesional T2 hyperintensity showed an increased choline peak without significant decrease in N-acetylaspartate (NAA) level. Arterial spin labelling (ASL) and dynamic susceptibility contrast (DSC) enhanced perfusion study showed decrease in relative cerebral blood volume at this region. These features in MRI were suggestive of brain abscess. The patient underwent craniotomy with excision of a grayish nodular lesion. Abundant acid fast bacilli (AFB) in acid fast staining, and epithelioid cell granulomas, caseation necrosis and Langhans giant cells in histopathology, were conclusive of tubercular abscess. Tubercular brain abscess is a rare manifestation that simulates malignancy and cause diagnostic dilemma. MRI along with MRS and magnetic resonance perfusion studies, are powerful tools to differentiate lesions in such equivocal cases.

• Proceedings of the Korean Institute of Intelligent Systems Conference
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• 2007.11a
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• pp.7-10
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• 2007

많은 과학자들은 인간의 사고를 functional Magnetic Resonance Imaging (fMRI), Time Resolved Spectroscopy(TRS), Electroencephalography(EEG)등을 이용해서 두뇌 활동 영역을 연구하고 있다. 주로 의학 분야와 심리학의 영역에서 두뇌의 활동을 연구하여 간질이나 발작을 알아내고 거짓말 탐지 분야에서도 사용된다. 본 논문에서는 사람의 두뇌활동을 측정하여 인간의 감정을 인식하는 연구에 중점을 두었다. 특히 fMRI와 TRS 그리고 EEG를 이용해서 사람의 두뇌활동을 측정하는 연구를 하였다. 많은 연구자들이 한 가지 측정 장치만을 사용하여서 측정하거나 fMRI와 EEG를 동시에 측정하는 연구를 진행하고 있다. 현재에는 단순히 두뇌의 활동을 측정하거나 측정시 발생하는 잡음들을 제거하는 연구들에 중점을 두고 진행되고 있다. 본 연구에서는 fMRI와 TRS를 동시에 측정하여 얻은 두뇌 활동 데이터를 가지고 감정에 따른 활동영역의 EEG신호를 측정하였다. EEG 신호분석에 있어서 기존의 뇌파만을 가지고 특정을 찾아내는 것을 넘어서 각각의 채널에서 기록되는 뇌파의 파형을 주파수에 따라서 분류하고 정확한 측정을 위해 낮은 주파수를 제거하고 연구자가 필요한 부분의 뇌파를 분석하였다.

• Journal of the Korean Magnetic Resonance Society
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• v.1 no.2
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• pp.63-70
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• 1997

The conformation of the self-complementary decamer duplex, d(ACGTATACGT)2 (TATA-duplex) has been studied by proton NMR spectroscopy. The duplex is essentially B-type, with distortions apparent at the TATA steps. These conformational distortion which may be preferable to occur in the thymine residue on the 5'-side, has been investigated by unusual NOE crosspeaks.

• Journal of the Korean Magnetic Resonance Society
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• v.10 no.1
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• pp.38-45
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• 2006

The NMR and MS techniques were applied to identification and quantitative analysis of oligomers in a commercialized poly (trimethylene terephthalate). Oligomers in a commercialized poly (trimethylene terephthalate) were extracted via a dissolving and reprecipitation method. Analysis of the components of the extract using NMR and MS revealed that it contained mainly cyclic oligomers with degrees of polymerization of 2, 4 and 5 (dimer, tetramer and pentamer). Trimer and cyclic oligomers with degrees of polymerization of more than 6 were not found in the extract in the present study. Quantitative analysis of dimer was performed by NMR spectroscopy.

• Journal of the Korean Magnetic Resonance Society
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• v.3 no.2
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• pp.127-139
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• 1999

In this paper we discussed how multiple quantum coherences evolve in the presence of anisotropic distribution of dipolar couplings. The magnitude of dipolar couplings were varied by changing the tile angle of crystal axis. The stronger was dipolar coupling, the higher was frequency of multiple quantum coherence. That is, the order of multiple quantum coherence varies in proportion to the magnitude of dipolar couplings. The theoretical prediction for the multiple quantum coherence at magic angle 54.7$^{\circ}$ in solid NMR spectroscopy was verified in this study. The excitation pattern of n-quantum coherence, which can induce the effective size to characterize spin system, is expected in a larger and more complicated spin system for understanding of the relation of dipolar coupling and multiple quantum coherence.

• Journal of the Korean Magnetic Resonance Society
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• v.17 no.1
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• pp.1-10
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• 2013

Metabolomics is the study which detects the changes of metabolites level. Metabolomics is a terminal view of the biological system. The end products of the metabolism, metabolites, reflect the responses to external environment. Therefore metabolomics gives the additional information about understanding the metabolic pathways. These metabolites can be used as biomarkers that indicate the disease or external stresses such as exposure to toxicant. Many kinds of biological samples are used in metabolomics, for example, cell, tissue, and bio fluids. NMR spectroscopy is one of the tools of metabolomics. NMR data are analyzed by multivariate statistical analysis and target profiling technique. Recently, NMR-based metabolomics is a growing field in various studies such as disease diagnosis, forensic science, and toxicity assessment.

• Journal of the Korean Magnetic Resonance Society
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• v.2 no.1
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• pp.41-49
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• 1998

A linear undecapeptide, Substance P (SP) is involved in a wide variety of physiological processes such as pain, inflammation, salivation, and hypertension. Tertiary structure of SP in dodecylphosphocholine (DPC) micelles has been investigated by CD, NMR spectroscopy, and DGII calculation. CD spectrum of SP in the presence of 7.5 mM DPC micelles does not show any favorable secondary structure. The tertiary structure determined by NMR spectroscopy and DGII calculation shows that the Phe7-Phr8-Gly9-Leu10 region adopts a turn structure, while the N-terminal region is quite flexible. Both prolines in SP exist preferentially as the trans isoforms and the aromatic ring of Phe7 protrudes outward. Conformation of SP may be restrained by the contact of the Phe7 aromatic ring with the hydrophobic side chains of the DPC micelles and this interaction induces a turn structure. Structure of SP in aqueous solution in the presence of DPC micelles can represent a good model to study the conformation recognized by the receptor near neutral membrane.