• Natural Product Sciences
• /
• 제25권3호
• /
• pp.222-227
• /
• 2019

Quantitative nuclear magnetic resonance (qNMR) is a well-established method adopted by international pharmacopoeia for quantitative and purity analyses. Emodin is a type of anthraquinone, well known as the main active component of Fabaceae, Polygonaceae and Rhamnaceae. Purity analysis of emodin is usually performed by using the high-performance liquid chromatography (HPLC)-UV method. However, it cannot detect impurities such as salts, volatile matter, and trace elements. Using the qNMR method, it is possible to determine the compound content as well as the nature of the impurities. Several experimental parameters were optimized for the quantification, such as relaxation delay, spectral width, number of scans, temperature, pulse width, and acquisition time. The method was validated, and the results of the qNMR method were compared with those obtained by the HPLC and mass balance analysis methods. The qNMR method is specific, rapid, simple, and therefore, a valuable and reliable method for the purity analysis of emodin.

• Journal of Microbiology and Biotechnology
• /
• 제11권3호
• /
• pp.539-542
• /
• 2001

$^1H$-NMR spectroscopy was used to detect apoptosis in HL-60 cells in vitro. The relationship between cell apoptosis and NMR data was validated by the flow cytometry assay. To evaluate the NMR apoptosis results, the ratio of methylene and methyl groups caused by lipids was used. In addition, an identical analysis was applied to HepG2 cells. Detection of apoptotic cell death by NMR spectroscopy was oserved.

• 한국자기공명학회논문지
• /
• 제23권2호
• /
• pp.51-55
• /
• 2019

Quantum dot (QD) is an emerging novel nanomaterial that has wide applicability and superior functionality with relatively low cost. Nuclear magnetic resonance (NMR) spectroscopy has been contributed to elucidate various features of QDs and to improve their overall performance. In particular, NMR spectroscopy becomes an essential analytical tool to monitor and analyze organic ligands on the QD surface. In the present mini-review, application of NMR spectroscopy as a superb methodology to appreciate organic ligands is discussed. In addition, it was recently noted that ligands exert rather greater influence on diverse features of QDs than our initial anticipation, for which contribution of NMR spectroscopy is briefly reviewed.

• 한국축산식품학회지
• /
• 제41권2호
• /
• pp.312-323
• /
• 2021

The purpose of this study was to use 1H nuclear magnetic resonance (1H NMR) to quantify taste-active and bioactive compounds in chicken breasts and thighs from Korean native chicken (KNC) [newly developed KNCs (KNC-A, -C, and -D) and commercial KNC-H] and white-semi broiler (WSB) used in Samgye. Further, each breed was differentiated using multivariate analyses, including a machine learning algorithm designed to use metabolic information from each type of chicken obtained using 1H-13C heteronuclear single quantum coherence (2D NMR). Breast meat from KNC-D chickens were superior to those of conventional KNC-H and WSB chickens in terms of both taste-active and bioactive compounds. In the multivariate analysis, meat portions (breast and thigh) and chicken breeds (KNCs and WSB) could be clearly distinguished based on the outcomes of the principal component analysis and partial least square-discriminant analysis (R2=0.945; Q2=0.901). Based on this, we determined the receiver operating characteristic (ROC) curve for each of these components. AUC analysis identified 10 features which could be consistently applied to distinguish between all KNCs and WSB chickens in both breast (0.988) and thigh (1.000) meat without error. Here, both 1H NMR and 2D NMR could successfully quantify various target metabolites which could be used to distinguish between different chicken breeds based on their metabolic profile.

• Journal of Microbiology and Biotechnology
• /
• 제15권6호
• /
• pp.1330-1336
• /
• 2005

Polyhydroxyalkanoic acid (PHA) inclusion bodies were analyzed in situ by $^{13}C$-nuclear magnetic resonance ($^{13}C$-NMR) spectroscopy. The PHA inclusion bodies studied were composed of poly(3-hydroxybutyrate) or poly(3hydroxybutyrate-co-4-hydroxybutyrate), which was accumulated in Hydrogenophaga pseudoflava, and medium-chain-length PHA (MCL-PHA), which was accumulated in Pseudomonas fluorescens BM07 from octanoic acid or 11-phenoxyundecanoic acid (11-POU). The quantification of the $^{13}C$-NMR signals was conducted against a standard compound, sodium 2,2-dimethyl-2-silapentane-5-sulfonate (DSS). The chemical shift values for the in vivo NMR spectral peaks agreed well with those for the corresponding purified PHA polymers. The intracellular degradation of the PHA inclusions by intracellular PHA depolymerase(s) was monitored by in vivo NMR spectroscopy and analyzed in terms of first-order reaction kinetics. The H. pseudoflava cells were washed for the degradation experiment, transferred to a degradation medium without a carbon source, but containing 1.0 g/l ammonium sulfate, and cultivated at $35^{\circ}C$ for 72 h. The in vivo NMR spectra were obtained at $70^{\circ}C$ for the short-chain-length PHA cells whereas the spectra for the aliphatic and aromatic MCL-PHA cells were obtained at $50^{\circ}C\;and\;80^{\circ}C$, respectively. For the H. pseudoflava cells, the in vivo NMR kinetics analysis of the PHA degradation resulted in a first-order degradation rate constant of 0.075/h ($r^{2}$=0.94) for the initial 24 h of degradation, which was close to the 0.050/h determined when using a gas chromatographic analysis of chloroform extracts of sulfuric acid/methanol reaction mixtures of dried whole cells. Accordingly, it is suggested that in vivo $^{13}C$-NMR spectroscopy is an important tool for studying intracellular PHA degradation in terms of kinetics.

• Bulletin of the Korean Chemical Society
• /
• 제31권4호
• /
• pp.825-828
• /
• 2010

To classify Glycyrrhiza species, samples of different species were analyzed by $^1H$ NMR-based metabolomics technique. Partial least squares discriminant analysis (PLS-DA) was used as the multivariate statistical analysis of the 1H NMR data sets. There was a clear separation between various Glycyrrhiza species in the PLS-DA derived score plots. The PLS-DA model was validated, and the key metabolites contributing to the separation in the score plots of various Glycyrrhiza species were lactic acid, alanine, arginine, proline, malic acid, asparagine, choline, glycine, glucose, sucrose, 4-hydroxy-phenylacetic acid, and formic acid. The compounds present at relatively high levels were glucose, and 4-hydroxyphenylacetic acid in G. glabra; lactic acid, alanine, and proline in G. inflata; and arginine, malic acid, and sucrose in G. uralensis. This is the first study to perform the global metabolomic profiling and differentiation of Glycyrrhiza species using $^1H$ NMR and multivariate statistical analysis.

• Journal of Plant Biotechnology
• /
• 제33권4호
• /
• pp.283-288
• /
• 2006

건조된 벼 5 품종의 whole cell extracts로부터 $^1H$ NMR 스펙트럼 조사를 통해 다변량 통계분석법을 활용하여 벼 종자의 품종 구분이 가능함을 조사하였다. $^1H$ NMR스펙트럼 데이터에 기초한 PCA분석 결과 크게 3개의 그룹으로 구분이 이루어졌다. 즉, 상주벼가 나머지 4 품종의 벼와 크게 다르게 구분이 이루어졌으며 동진벼와 심백벼, 그리고 화만벼와 심백hetero 품종이 각각 하나의 소그룹으로 구분이 이루어졌다. 스펙트럼 영역에 있어서는 carbohydrate region이 품종에 따라 크게 달라지는 것으로 보아 탄수화물의 정량정성적 차이가 metabolic profiting에 의한 품종 구분에 중요한 역할을 하는 것으로 추론된다. 또한 $^1H$ NMR 스펙트럼 데이터에 기초하여 주요 당 화합물 (sucrose, glucose, maltose 등)의 상대적인 정량분석을 조사한 결과 상주벼의 경우 다른 벼 품종에 비해 sucrose 및 glucose 함량은 큰 차이가 없었으나 maltose 함량이 타 품종에 비해 약 2-4배 높음을 알 수 있었다. 따라서 본 연구에서 확립한 벼 종자의 whole cell extracts로부터 $^1H$ NMR 스펙트럼을 이용한 metabolic profiling 방법은 다양한 벼 종자의 신속한 품종구분은 물론 주요 carbohydrates의 간편한 정량분석 체계로 활용이 가능할 것으로 예상된다.

• 분석과학
• /
• 제7권2호
• /
• pp.213-224
• /
• 1994

선택적으로 중수소를 치환시킨 싸이클로옥타논의 여러 동위원소 이성질체들을 합성하였다. 고유동위원소 효과에 의해 영향을 받는 $^{13}C$ NMR 화학적 이동값들을 각 이성질체에 대해 저온에서 계통적으로 관찰하였다. 특히 싸이클로옥타논이 선호하는 안정한 형태 이성질체인 클 boat-chair 형과 연관시켜 이 효과들을 논의하였다.

• 전기화학회지
• /
• 제12권4호
• /
• pp.329-334
• /
• 2009

본 연구는 연료전지 운전시 전극 촉매 및 전해질막 내에서 발생하는 연료 및 산화제의 산화/환원 반응 메커니즘, 이동현상, 구성품 열화현상 등을 핵자기 공명 (NMR, Nuclear Magnetic Resonance)을 이용하여 연료전지의 분해나 시료 채취 없이 제자리 (in situ) 분석할 수 있는 진단장치용 연료전지 개발에 관한 것이다. NMR에 사용되는 연료전지는 특수하게 제작된 TCD (Toroid Cavity Detector) 탐침 내부에서 작동하여야 하며, TCD 탐침이 가지는 기하학적 제한 요소들로 인해 일반적인 평판형 연료전지와 달리 원통형으로 제작된다. 이로 인해 반응물의 공급이나 생성물의 제거가 어려우며 누수 현상 및 불균일한 압력 분배가 발생하여 성능이 낮다. 따라서, in situ NMR 분석용 연료전지가 가지는 구조상의 특징인 원통형에 적합한 유로를 설계하고 제작하여 물질 전달 특성을 개선해야 할 필요성이 있다. 본 연구에서는 NMR 장비 내의 자기장에 영향을 미치지 않는 비자성 물질을 이용해 원 통형 공기극 유로를 개발하여, 산소의 공급 및 반응물의 제거를 원활하게 하였다. 또한, 체결 압력을막-전극 접합체에 균일하게 분배하여 누수 및 누액을 차단하였다. 이를 통해, 상온에서 약 $36mW/cm^2$의 우수한 성능을 나타내는 in situ NMR 진단용 직접 메탄올연료전지 시스템을 개발하였다.

• Bulletin of the Korean Chemical Society
• /
• 제29권5호
• /
• pp.911-912
• /
• 2008