• Bulletin of the Korean Chemical Society
• /
• v.28 no.4
• /
• pp.557-560
• /
• 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.

• Korean Journal of Food Science and Technology
• /
• v.34 no.6
• /
• pp.1062-1066
• /
• 2002

Low field NMR was employed to discriminate the geographical origin of sesame seeds from Sudan, China, and Korea. Sudan sesame seeds had the lowest contents of moisture and crude fat. Chemical components of Korean and Chinese sesame seeds were similar, whereas relaxation times $(T_1-IR,\;T_1-SR)$ measeured through spin-lattice relaxation pluse techniques using 20 MHz NMR showed significant difference (p0.05). Canonical discriminant analysis could be used to identify the habitat of sesame seeds with over 90% accuracy of NMR results. Non-destructive and fast NMR techniques can be applied to classify Korean sesame seeds from those of other origins.

• Journal of the Korean Magnetic Resonance Society
• /
• v.15 no.1
• /
• pp.14-24
• /
• 2011

We have performed Liquid Chromatography-Solid Phase Extraction-NMR (LC-SPE-NMR) analysis for liquid crystalline mixture and elucidated the structures of selected components by NMR spectra. Combining the results of one-dimensional 1H experiments as well as homonuclear and heteronuclear two-dimensional experiments, we could analyze the molecular structure of the liquid crystal singles whose structure had not been interpretable by mass spectrometry alone.

• Korean Journal of Food Science and Technology
• /
• v.35 no.4
• /
• pp.653-659
• /
• 2003

A 20 MHz pulsed NMR systems was employed to discriminate the geographical origin of soybeans and black beans (yak-kong) from Korea and foreign countries. Crude fat contents measured by soxhlet method were significantly (p<0.05) different between domestic and imported soybeans. Moisture and crude protein contents, measured by AOAC, were significantly different between domestic and imported black beans. In soybeans, values by solid fat content method and Carr-Purcell-Meiboom-Gill (CPMG) method using 20 MHz pulsed NMR showed the significant difference among soybeans from various the geographical origins. In black beans (yak-kong), NMR values measured by NMR except $T_1$ SR pulse sequence revealed the significant difference by the geographical origins. The habitat of soybeans and black beans could be identified by canonical discriminant analysis of chemical composition with $70{\sim}91.7\;%$ accuracy. Low field NMR data followed by discriminant analysis, however, granted the 100% of accuracy for classification of soybeans.

• Analytical Science and Technology
• /
• v.17 no.2
• /
• pp.98-107
• /
• 2004

In this study, $^1H$ NMR spectroscopy and HPLC were used to identify the type and quantity of each component in an acrylic coating materials applied for an automotive part. By the $^1H$ NMR analysis, it was found that this acrylic coating contained about 88.40 wt% of poly methyl methacrylate (PMMA), 7.05 wt% of methyl methacrylate (MMA), and 2.36 wt% of allyl methacrylate. Polymer additives such as a benzotriazole light stabilizer (Hisorb 328), an oxanilide light stabilizer, butylated hydroxy toluene (BHT), and dimethyl phthalate (DMP) were also identified and measured quantitatively from the $^1H$ NMR spectra. However, only two light stabilizers were identified by reverse phase (RP) HPLC analysis using Bondapak C18 column, methanol mobile phase, and a PDA (Photodiode array) detector. The contents of two light stabilizers in the acrylic coating were measured by a quantitative analysis through UV-Vis spectroscopy and compared with the NMR data. The analytical informations from $^1H$ NMR spetra were better than those from HPLC-PDA plot.

• YAKHAK HOEJI
• /
• v.49 no.1
• /
• pp.74-79
• /
• 2005

Metabonomic analysis has been recognized as a powerful approach for characterizing metabolic changes in biofluids due to toxicity, disease process or environmental influences. To investigate the possibility of relating metabolic changes with $^{1}H-NMR$ spectra, urine samples from Sprague-Dawley rats treated with various dietary restrictions or toxic substances (nicotine) were analysed using $^{1}H-NMR$ spectroscopy and pattern recognition techniques. Dietary restrictions-given to male rats were normal diet and high fat diet and fasting. The nicotine urine samples were collected from SD rats administered with nicotine (25 mg/kg) at the various time intervals. $^{1}H-NMR$ spectra of all urine samples were acquired at 400 MHz on a VARIAN spectrometer. To establish the presence of any intrinsic class-related patterns or clusters in each NMR data, methods of PCA (principal component analysis) and soft independent modeling of class analogy (SIMCA) analysis were used, and the results from these analyses were compared to each other. In all cases of dietary conditions and nicotine treatment, SIMCA analysis gave better results for the discrimination of NMR spectra of urine samples than PCA.

• Analytical Science and Technology
• /
• v.7 no.1
• /
• pp.91-102
• /
• 1994

The monomer compositions in a series of propylene heterophasic copolymer, propylene random copolymer, propylene random terpolymer and ethylene-propylene-ENB terpolymer have been determined from $^{13}C-NMR$ spectra. The simplified and highly resolved $^{13}C-NMR$ spectra made it possible to assign unambiguousely and calculate the monomer composition. A complete sets of NMR chemical shift assignments and the way to measure the quantity of monomer are newly given in diverse polymers. Furthermore complete dyad, triad, tetrad and pentad distributions have been able to be determined. These NMR quantitative analytical results for monomer compostition have consistent with those from Infrared spectral data.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.11
• /
• pp.2762-2764
• /
• 2009

• 한국신재생에너지학회:학술대회논문집
• /
• 2005.06a
• /
• pp.615-617
• /
• 2005

[ $^{13}C$ ] NMR spectra were obtained for pure $CH_4$ hydrate in order to identify hydrate structure and cage occupancy of guest molecule. The NMR technique can provide both qualitative and quantitative hydrate characteristics. The moles of methane captured into pure $CH_4$ hydrate per mole of water were found to be similar to the full occupancy value. The overall results drawn from this study can be usefully applied to storage and transportation of natural gas.

• Analytical Science and Technology
• /
• v.13 no.1
• /
• pp.127-129
• /
• 2000

The $^2H$ NMR analysis was used to determine the relative deuterium contents at the position of methyl and methylene in ethyl alcohols. Four different liquors manufactured in Korea clearly showed different R values from those of foreign liquors. These R values for the Korean liquors could be used to distinguish adulteration.