• Archives of Pharmacal Research
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• v.19 no.5
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• pp.406-410
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• 1996

The flowers of Chrysanthemum boreale afforded handelin, a unique guaianolide dimer and a mixture of n-hydrocarbons and n-hydrocarbon alcohols in addition to b-sitosterol and b-sitosterol glucoside. Detailed analysis of the $^{1}H$- and $^{13}C$-NMR spectra of handelin was carried out by the application of two-dimensional $^{1}H-^{1}H$-COSY and $^{1}H$- $^{13}C$ multiple-bond, multiple-quantum spectroscopic correlation techniques. Handelin was inactive in the in vitro anti-tumor activity.

• Bulletin of the Korean Chemical Society
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• v.30 no.2
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• pp.415-418
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• 2009

Concerned with ambiguous stereochemistry assignment of natural (+)-glabridin, absolute configurations of (${\pm}$)-glabridin enantiomers were studied with synthetic glabridin. Synthetic glabridin enantiomers were separated by semi-preparative Sumi-chiral column chromatography, and characterized by UV-Vis and NMR spectroscopy. Three-dimensional molecular structure of glabridin was obtained as equatorial Ph-3 half chair chroman ring from semi-empirical PM3 calculation, and refined by coupling constants in $^1H$ NMR spectrum. Finally, absolute configurations of two enantiomers were determined by circular dichroism spectroscopy based on the empirical helicity rules. Absolute configuration of natural (+)-glabridin was confirmed as (R)-glabridin, as known.

• Journal of Applied Biological Chemistry
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• v.57 no.2
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• pp.175-178
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• 2014

Three phytosterols of rare occurrence, schleicheol 2 (1), $7{\beta}$-hydroxysitosterol (2), and $7{\alpha}$-hydroxysitosterol (3), were isolated from the n-hexane fraction of rice (Oryza sativa) bran, for the first time. Some nuclear magnetic resonance (NMR) assignments in the literatures are inaccurate. This study employed two-dimensional NMR experiments to identify exact peak assignments.

• Journal of the Korean Magnetic Resonance Society
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• v.14 no.1
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• pp.28-37
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• 2010

Metabolites of urine samples from 6 colorectal cancer patients were analyzed by two-dimensional NMR spectroscopy, where the samples were collected before and after the surgical treatments per patient. NMR data were analyzed with the help of the metabolome database and the statistics software. Urine samples before and after the treatments showed significantly different metabolic profiles from each other. We were able to compare 10 different metabolites. Most of the assigned metabolites of every patient showed a tendency of increase after the surgery except for a few cases. The amount of changes in individual metabolites varied significantly from patient to patient, but the combination of such changes could be used to distinguish the condition before the surgery from after, which could be done by PCA analysis. The analysis via $^{1}H-^{13}C$ HSQC spectra proved to be applicable in assessing and classifying global metabolic profiles of the urines from colorectal cancer patients.

• Korean Journal of Food Science and Technology
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• v.31 no.5
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• pp.1386-1391
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• 1999

The methanol extract of Gardenia jasminoides Ellis showed antimicrobial activity against bacteria and yeasts. The extract was successively purified with solvent fractionation, silica gel adsorption column chromatography, Sephadex LH-20 column chromatography, octadecylsilane column chromatography. The purified active substance was isolated by high performance liquid chromatography. The isolated compound was 3,4-dihydroxybenzoic acid which was determined by mass spectrometer, gas chromatograph-mass spectrometer, $^{1}H-nuclear$ magnetic resonance, $^{13}C-nuclear$ magnetic resonance and two-dimensional nuclear magnetic resonance. The content of 3,4-dihydroxybenzoic acid was $32.7\;{\mu}g/g$ in dried fruits of Gardenia jasminoides Ellis.

• Journal of the Korean Magnetic Resonance Society
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• v.8 no.2
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• pp.127-138
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• 2004

We obtained the chemical shifts of amide protons (NHs) in helical peptides at various temperatures and trifluoroethanol (TFE) concentrations using 2-dimensional NMR spectroscopy. These NH chemical shifts and their temperature dependence exhibited characteristic periodicity of 3-4 residues per cycle along the helix, where downfield shifted NHs showed larger temperature dependence. In an attempt to understand these observations, we focused on hydrogen bonding changes in the peptides and examined the validity of two possible explanations: (1) changes in intermolecular hydrogen bonding caused by differential solvation of backbone carbonyl groups by TFE, and (2) changes in intramolecular hydrogen bonding due to disproportionate variations in the hydrogen bonding within the peptide helix. Interestingly, the slowly exchanging NHs, which were on the hydrophobic side of the helix, showed consistently larger temperature dependences. This could not be explained by the differential solvation assumption, because the slowly exchanging NHs would become more labile if the preceding carbonyl groups were preferentially solvated by TFE. We suggest that the disproportionate changes in intramolecular hydrogen bonding better explain both the temperature dependence and the exchange behavior observed in this study.

• Natural Product Sciences
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• v.12 no.3
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• pp.129-133
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• 2006

Four coumarins (1-4) and one polyacetylene (5) were isolated from the roots of Anglica purpuraefolia Chung (Umbelliferae) through repeated column chromatography. Four coumarins, isoscopoletin (1), oxypeucedanin hydrate (2), arnottinin (3) and isokhellactone (4), and a polyacetylene, (+)-9(Z), 17-octadecadience-12,14-diyne-1,11,16-triol (5), were identified by spectroscopic analysis including two dimensional NMR and mass. These compounds were examined for their anti-complement activity against the classical pathway of the complement system. However, compounds 1-5 were inactive in this assay system.

• Bulletin of the Korean Chemical Society
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• v.23 no.6
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• pp.879-884
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• 2002

A series of novel 1,3-alternate calix[4]-mono-thiacrown and -bis-thiacrowns were synhesized within good yields. The three dimensional 1,3-alternate conformation was confimed by X-ray crystal structure. From the results of two phase extraction and NMR studies on the ligand-metal complex, one can conclude that the calix[4]thiacrown ethers showed the very high selectivity for silver ion over other metal ions by an electrostatic interaction between sulfur atom and silver ion and by a $\pi-metal$ complexation.

• Journal of the Korean Magnetic Resonance Society
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• v.1 no.1
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• pp.71-77
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• 1997

Substritenone B, sesterterpenoids of an unprecedented akeletal class, has been isolated from the Antarctic sponge Suberites sp. Structure of this compound has been determined by combined spectral and chemical studies.

• Bulletin of the Korean Chemical Society
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• v.6 no.6
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• pp.348-350
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• 1985

The compound 1,1,3,4-tetramethyl-1-sila-3-cyclopentene was obtained through the reaction of 2,3-dimethylbutadiene and dichlorodimethyl-silane in THF in the presence of sodium metal. After the bromination of this compound at $0^{\circ}C$ for 2 hrs and dehydrobromination by using a base, we prepared 1.1.3.4-tetramethyl-1-sila-2,4-cyclopentadiene, Which could undergo dimerization. The identification has been done by using $^1H-,^{13}C-$ and C/H-Correlation two dimensional nmr spectroscopies.