• 한국자기공명학회논문지
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• 제15권1호
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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.

• 한국방사선학회논문지
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• 제11권7호
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• pp.589-595
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• 2017

본 연구는 1H-MRS 검사 시 조영제 사용이 대사물질의 spectrum에 어떤 영향을 미치는지 비교 분석함으로써, 조영제 주입 후 MRS 시행의 가능성을 알아보고자 하였다. 연구방법은 2017년 1월부터 동년 5월까지 뇌 MRI 검사를 시행한 30명을 대상으로, 조영제 주입 전, 후 전두엽 백질 부분의 spectrum을 획득하여 뇌 조직의 대사물질 spectrum을 비교평가 하였다. 연구결과, 조영제를 주입할 경우 각 대사물질의 spectrum은 통계적으로 의미가 없어 조영제 사용이 대사물질의 spectrum에 영향을 미치지 않음을 알 수 있었다. 결론적으로 대조도가 떨어져 병변의 위치파악이 힘든 경우 정확한 위치의 spectrum을 얻기 위해선 조영제를 사용하여 대조도를 높인 다음 MRS를 시행하는 것이 바람직 할 것으로 사료된다.

• Journal of Microbiology and Biotechnology
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• 제24권1호
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• pp.13-18
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• 2014

Bacillus subtilis JW-1 was isolated from rhizosphere soil as a potential biocontrol agent of bacterial wilt caused by Ralstonia solanacearum. Seed treatment followed by a soil drench application with this strain resulted in >80% reduction in bacterial wilt disease compared with that in the untreated control under greenhouse conditions. The antibacterial compound produced by strain JW-1 was purified by bioactivity-guided fractionation. Based on mass spectroscopy and nuclear magnetic resonance spectral data ($^1H$, $^{13}C$, $^1H-^1H$ correlation spectroscopies, rotating frame nuclear Overhauser effect spectroscopy, and heteronuclear multiple-bond correlation spectroscopy), the structure of this compound was elucidated as a cyclic lipopeptide composed of a heptapeptide (Gln-Leu-Leu-Val-Asp-Leu-Leu) bonded to a ${\beta}$-hydroxy-iso-hexadecanoic acid arranged in a lactone ring system.

• Bulletin of the Korean Chemical Society
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• 제25권6호
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• pp.829-832
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• 2004

The pure product of 2,3-diaminophenazine was prepared by the enzyme-catalyzed reaction of ophenylenediamine-$H_2O_2$-horseradish peroxidase and characterized by UV/Vis spectroscopy, IR spectroscopy and NMR spectroscopy. The electrochemical behaviour of 2,3-diaminophenazine on the glassy carbon electrode was studied. The interaction between 2,3-diaminophenazine and deoxyribonucleic acid was studied by cyclic voltammetry method and UV/Vis spectroscopy, which indicated that the interaction between them is intercalation. The influence of reacting time was also studied. The binding ratio of the 2,3-diaminophenazine-DNA complex is calculated to be 1 : 2 and the binding constant is to be $5.07{\times} 10^3L{\cdot}mol^{-1}$ at room temperature.

• Natural Product Sciences
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• 제22권1호
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• pp.30-34
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• 2016

A simple and rapid method based on proton nuclear magnetic resonance spectroscopy was developed for determination of trans-anethole content in fennel essential oil. Spectra of pure trans-anethole, of the pure essential oil of fennel, and of the pure oil of fennel with thymol internal standard were recorded. The signal of $H-1^/$ was used for quantification of trans-anethole. This proton signal is well separated in the proton magnetic resonance spectrum of the compound. No reference compound is needed and cheap internal standard was used. The results obtained from spectroscopic analysis were compared with those obtained by gas chromatography. Additionally, the developed method was used for determination of the type of vegetable oil used as a carrier in commercial products, which cannot be quantified as such by gas chromatography. This study demonstrates the application of proton nuclear magnetic resonance spectroscopy as a quality control method for estimation of essential oil components.

• Bulletin of the Korean Chemical Society
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• 제28권4호
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• pp.557-560
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• 2007

The metabolic discrimination of safflowers from various geographical origins was performed using 1H nuclear magnetic resonance (NMR) spectroscopy followed by principal components analysis. With a combination of these techniques, safflower samples from different origins could be discriminated using the first two principal components (PC) of the 1H NMR spectra of the 50% methanol fractions. PC1 and PC2 accounted cumulatively for 91.3% of the variation in all variables. The major peaks in the 1H NMR spectra that contributed to the discrimination were assigned to fatty acid (terminal CH3), lactic acid, acetic acid, choline derivatives, glycine, and safflower yellow derivatives. In this study, we suggest that various types of safflower can be discriminated using PCA and 1H NMR spectra.

• 한국진공학회지
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• 제10권1호
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• pp.104-111
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• 2001

$SiH_4$, $CH_4$, $B_2H_6$ 혼합기체를 이용하여 플라즈마 화학증착법으로 비정질 탄화실리콘(a-SiC:H) 박막을 증착하였다. 기상 doping 농도를 0에서 $2.5\times10^{-2}$ 범위에서 변화시켜 얻은 박막의 물성을 SEM, XRD, Raman 분광법, FTIR, SIMS, 광흡수도와 전기전도도 분석을 통하여 살펴보았다. $B_2H_6$/($CH_4+SiH_4$) 기체유량비가 증가할수록 붕소의 도핑효율와 미세결정성은 감소하였다. 증착 중 $B_2H_6$ 기체가 첨가됨에 따라 비정질 탄화실리콘 박막의 Si-C-H 결합기의 강도는 감소하였으며, 이의 영향으로 박막내의 수소함량은 $B_2H_6/(SiH_4+CH_4$) 기체 유량비가 증가함에 따라 16.5%에서 7.5%로 단조감소하였다. $B_2H_6(CH_4+SiH_4$) 기체유량비가 증가할수록 a-SiC:H 박막의 광학적 밴드갭과 전기활성화 에너지는 감소하였고, 전기전도도는 증가하였다.

• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1177-1181
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• 2014

A 2D grid-like (4, 4)-connected topology coordination polymer, $[Co(BTA)_2(H_2O)_2]_n$ (1), where HBTA = 2-(1H-benzotriazol-1-yl)acetic acid, has been synthesized by hydrothermal method and characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy (SPS). X-ray diffraction analyses indicated that 1 displays octahedral metal centers with secondary building units (SBUs) [$Co(BTA)_2(H_2O)_2$] bridged by the $BTA^-$ ligands. In the crystal, the 2D supramolecular architecture is further supported by $O-H{\cdots}O$, $O-H{\cdots}N$, $C-H{\cdots}O$ hydrogen bonds and ${\pi}{\cdots}{\pi}$ stacking interactions. The SPS of polymer 1 indicates that there are positive response bands in the range of 300-600 nm showing photo-electric conversion properties. There are good relationships between SPS and UV-Vis spectra.

• 한국의학물리학회지:의학물리
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• 제21권1호
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• pp.22-28
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• 2010

유방암 중에서 가장 발생율이 높은 침윤성 관상피암을 대상으로 생체 국소 수소핵 자기공명분광법(localized in vivo $^1H$ MRS)을 시행하여 조직학적 형태에 따른 자기공명 분광상(MR spectroscopy)의 특성을 분석하고자 본 연구를 실시하였다. 조직학적으로 침윤성 관상피암으로 진단 받은 환자 40명을 대상으로 하여 종양이 있는 부위를 실험군으로 정하였고 종양이 없는 반대쪽 부위를 대조군으로 정하여 3.0T MR scanner를 이용한 수소핵 자기공명분광영상으로 검사를 시행하여 영상 및 분광 정보를 얻었다. 유방암 환자 40명 중 34명(85%)에서 3.2 ppm 분광정점을 확인할 수 있었고 MRS상 3.2 ppm에서의 분광정점 발현여부를 유방암의 진단 기준으로 선택하는 경우 민감도는 85% (34/40), 특이도는 92.5% (37/40), 양성예측율은 100% (34/34), 음성 예측율은 86% (37/43)이었다. 정상 조직의 1.3 ppm에서의 분광정점을 진단 기준으로 정할때 민감도는 92.5% (37/40), 특이도는 85% (34/40), 양성 예측율은 100% (37/37), 음성 예측율은 91.8% (34/37)이었다. $^1H$ MRS방법이 유방암의 진단에 이용될 수 있는 가능성을 제시하였고 추후 지속적인 연구를 통해 임상적으로 진단 및 치료 판정에 널리 이용될 수 있을 것으로 사료된다.

• 대한토목학회논문집
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• 제26권1B호
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• pp.107-111
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• 2006

2종류의 제철 반응조에 있어서, 각종의 반응조건 하에 생성한 산화철을 x-ray회절과 M$\ddot{o}$ssbauer spectroscopy실험으로 철산화 물질을 동정한 결과, 여재 표면에 부착한 철 산화물의 결정은 pH 조건에 관계없이 Ferrihydrite($Fe_5HO_8{\cdot}4H_2O$)이었으며, Batch(회분) 실험에서 생긴 철 산화 물질은 가수분해에 의해 생긴 것으로, Microcrystalline Goethite 이었다.