• Applied Chemistry for Engineering
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• v.3 no.3
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• pp.464-470
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• 1992

The copolyester was prepared by melt polycondensation varying the amount of ethylene glycol(EG) and pentanediol from terephthalic acid(TPA), EG and pentanediol isomers were. used as the third monomer. The chemical structure and the compositions of the copolyester were determined by nuclear magnetic resonance spectroscopy. Thermal properties were investigated with the aid of differential scanning calorimetry and thermogravimetric analyzer.

• Journal of the Korean Magnetics Society
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• v.5 no.5
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• pp.854-857
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• 1995

We have studied the temperature dependence of the $^{1}H$ NMR spin-lattice relaxation for the impure $CuF_{2}.2H_{2}O$ over a temperature range from 77 K to room temperature. We find that the remperature dependence of the $^{1}H$ spin-lattice relaxation is dominated by the eletron spin-flip and the Raman process of eletron spin-lattice relaxation. The electron spin-flip exchange energy was calculated to be $1.8(\pm0.04)$ K.

• Journal of the Mineralogical Society of Korea
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• v.24 no.4
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• pp.301-312
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• 2011

The study on the atomic structure of iron-bearing silicate glasses has significant geological implications for both diverse igneous processes on Earth surface and ultra-low velocity zones at the core-mantle boundary. Here, we report experimental results on the effect of iron content on the atomic structure in iron-bearing alkali silicate glasses ($Na_2O-Fe_2O_3-SiO_2$ glasses, up to 16.07 wt% $Fe_2O_3$) using $^{29}Si$ and $^{17}O$ solid-state NMR spectroscopy. $^{29}Si$ spin-lattice ($T_1$) relaxation time for the glasses decreases with increasing iron content due to an enhanced interaction between nuclear spin and unpaired electron in iron. $^{29}Si$ MAS NMR spectra for the glasses show a decrease in signal intensity and an increase in peak width with increasing iron content. However, the heterogeneous peak broa-dening in $^{29}Si$ MAS NMR spectra suggests the heterogeneous distribution of $Q^n$ species around iron in iron-bearing silicate glasses. While nonbridging oxygen ($Na-O-Si$) and bridging oxygen (Si-O-Si) peaks are partially resolved in $^{17}O$ MAS NMR spectrum for iron-free silicate glass, it is difficult to distinguish the oxygen clusters in iron-bearing silicate glass. The Lorentzian peak shape for $^{29}Si$ and $^{17}O$ MAS NMR spectra may reflect life-time broadening due to spin-electron interaction. These results demonstrate that solid-state NMR can be an effective probe of the detailed structure in iron-bearing silicate glasses.

• Investigative Magnetic Resonance Imaging
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• v.12 no.2
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• pp.100-106
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• 2008

The purpose of this study was to confirm the exactitude of in vitro nuclear magnetic resonance spectroscopy(NMRS) and to complement the defect of in vivo NMRS. It has been difficult to understand the metabolism of a cerebellum using in vivo NMRS owing to the generated inhomogeneity of magnetic fields (B0 and B1 field) by the complexity of the cerebellum structure. Thus, this study tried to more exactly analyze the metabolism of a canine cerebellum using the cell extraction and high resolution NMRS. In order to conduct the absolute metabolic quantification in a canine cerebellum, the spectrum of our phantom included in various brain metabolites (i.e., NAA, Cr, Cho, Ins, Lac, GABA, Glu, Gln, Tau and Ala) was obtained. The canine cerebellum tissue was extracted using the methanol-chloroform water extraction (M/C extraction) and one group was filtered and the other group was not under extract processing. Finally, NMRS of a phantom solution and two extract solution (90% D2O) was progressed using a 500MHz (11.4 T) NMR machine. Filtering a solution of the tissue extract increased the signal to noise ratio (SNR). The metabolic concentrations of a canine cerebellum were more close to rat’s metabolic concentration than human’s metabolic concentration. The present study demonstrates the absolute quantification technique in vitro high resolution NMRS with tissue extraction as the method to accurately measure metabolite concentration.

• Journal of the Mineralogical Society of Korea
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• v.24 no.4
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• pp.289-300
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• 2011

Atomistic origins of carbon solubility into silicates are essential to understand the effect of carbon on the properties of silicates and evolution of the Earth system through igneous and volcanic processes. Here, we investigate the atomic structure and NMR properties of dissolved carbon in enstatite using Raman spectroscopy and quantum chemical calculations. Raman spectrum for enstatite synthesized with 2.4. wt% of amorphous carbon at 1.5 GPa and $1,400^{\circ}C$ shows vibrational modes of enstatite, but does not show any vibrational modes of $CO_2$ or ${CO_3}^{2-}$. The result indicates low solubility of carbon into enstatite at a given pressure and temperature conditions. Because $^{13}C$ NMR chemical shift is sensitive to local atomic structure around carbon and we calculated $^{13}C$ NMR chemical shielding tensors for C substituted enstatite cluster as well as molecular $CO_2$ using quantum chemical calculations to give insights into $^{13}C$ NMR chemical shifts of carbon in enstatite. The result shows that $^{13}C$ NMR chemical shift of $CO_2$ is 125 ppm, consistent with previous studies. Calculated $^{13}C$ NMR chemical shift of C is ~254 ppm. The current calculation will alllow us to assign potential $^{13}C$ NMR spectra for the enstatite dissolved with carbon and thus may be useful in exploring the atomic environment of carbon.

• Investigative Magnetic Resonance Imaging
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• v.13 no.2
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• pp.117-126
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• 2009

Purpose : A numerical method of designing a multiple quantum filter (MQF) is presented for the optimum detection of myo-inositol (mI), an important brain metabolite, by using in vivo proton nuclear magnetic resonance spectroscopy ($^1$-HMRS). Materials and Methods : Starting from the characterization of the metabolite, the filter design includes the optimization of the sequence parameters such as the two echo times (TEs), the mixing time (TM), and the flip angle and offset frequency of the 3rd $90^{\circ}$ pulse which converts multiple quantum coherences (MQCs) back into single quantum coherences (SQCs). The optimized filter was then tested both in phantom and in human brains. Results : The results demonstrate that the proposed MQF can improve the signal-to-background ratio of the target metabolite by a factor of more than three by effectively suppressing the signal from the background metabolites. Conclusion : By incorporating a numerical method into the design of MQFs in $^1$-HMRS the spectral integrity of a target metabolite, in particular, with a complicated spin system can be substantially enhanced.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.21 no.2
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• pp.432-439
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• 2020

This study examined the metabolites in different roughage to concentrate ratios using proton nuclear magnetic resonance spectroscopy (1H-NMR). Six lactating cows were divided into two groups that were fed different roughage to concentrate ratios (HR group = 8:2, HC group = 2:8). Feces samples were collected individually at one time, and the metabolites were analyzed using an SPE-800 MHz NMR-MS system. The metabolites were identified and quantified using a Chenomx NMR suite 8.4. Metabolic pathway analysis and principal component analysis were conducted using a Metaboanalyst 4.0. Statistical analysis was performed using a Dunnett's test on the SAS program. As a result, several metabolites were identified, and among them, 77 metabolites were used in statistical analysis. The levels of twelve metabolites were significantly higher in the HC group: succinate, dimethylamine, histamine, homovanillate, thymol, acetate, propionate, butyrate, isovalerate, valerate, imidazole, N-nitrosodimethylamine, and O-acetylcholine. In the HC group, the concentrations of all metabolites were higher than in the HR group, and the metabolic pathway was also different. This study is expected to be useful for a variety of livestock studies by 1H-NMR because it examined the change in metabolites in the body metabolism and microorganisms.

• Journal of the Korea Concrete Institute
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• v.26 no.3
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• pp.369-375
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• 2014

This study examined the changes of microstructural compositions in cement matrix according to the depth from the surface of a reinforced concrete (RC) column exposed to fire. The RC column was exposed to a standard fire for 180 minutes. After the fire test, core samples passing through the column section were obtained. Using the core samples, the remaining fractions of calcium-silicate-hydrates (C-S-H) and calcium hydroxide in cement matrix at the surface, the depth of 40 mm and 80 mm and the center (175 mm) were examined using thermal gravimetric analysis (TGA) and X-ray diffraction analysis (XRDA). Using nuclear magnetic resonance (NMR) technique, the silicate polymerization of C-S-H in cement matrix was also evaluated. The experimental results indicated that the amount of C-S-H loss at the center of column experiencing the transferred fire temperature of $236^{\circ}C$ has been underestimated as the TGA results showed the highest C-S-H contents are located at the depth of 80 mm, where the transferred fire temperature is $419^{\circ}C$. Moreover, the destruction of silicate connections at the center was observed as similar as that at the depth of 40 mm, where the transferred fire temperature was $618^{\circ}C$. This might be attributed to the temperature changes during cooling time after the fire test was neglected. Due to the relatively low thermal conductivity of concrete, the high temperature, which can affect the change of microstructure in cements, will hold longer at the center of the column than other depth.

• 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.

• Journal of the Korean Chemical Society
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• v.57 no.1
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• pp.40-51
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• 2013

In order to develop a quantitation method for Perfluorooctanesulfonic acid(PFOS) contained in plastics that are mainly used in electric and electronic equipment, this study consisted of conducting method validations with LDPE samples using soxhlet solvent extraction and LC/MS. As a result, the limits of detection and quantitation (LOD, LOQ) were $2.58{\mu}g/L$ and $7.82{\mu}g/L$, respectively. Additionally, the recovery was 96-102%. For the correlation coefficient of LC/MS, the $r^2$ value was 0.9992 in the concentration range of $7.82-100{\mu}g/L$, which confirmed its linearity. Furthermore, for the standardization of the analysis method for PFOS in electric and electronic equipment to correspond to EU environmental regulations, we conducted a proficiency test with a number of domestic and international testing laboratories. Three of the ten testing laboratories that participated in the proficiency test submitted outliers. Accordingly, we examined the cause of the outliers using the $^{19}F$ NMR, finding that the main cause was an error in the processing of the results for isomers in PFOS that existed in standard solutions and samples.