• Journal of Life Science
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• v.17 no.3 s.83
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• pp.345-349
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• 2007

We wished to create a set of small molecular weight PDZ domain ligands that may be used in functional studies on the proteins AF6, PSD-95 and Shank. As a starting point, the Shank3 PDZ domain was cloned, purified, and characterized the structure of Shank3 PDZ domain by 1D $^1H-NMR$. The chemical shift dispersion of the proton signals indicates that the purified Shank3 PDZ protein is very pure and globally well folded. Currently, we are working on improving the yield of the protein production for complete NMR structural analysis of the Shank3 PDZ domain.

• Bulletin of the Korean Chemical Society
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• v.31 no.5
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• pp.1187-1191
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• 2010

$^1H-^{15}N$ heteronuclear dipolar coupling solid-state NMR experiments on lipid bilayer or bicelle samples are very useful for the structural studies of membrane proteins. However, to study these biological samples using solid-state NMR, a specific probe with high efficiency and high capability is required. In this paper, we describe the optimized design, construction, and efficiency of a 400 MHz wide-bore $^1H-^{15}N$ solid-state NMR probe with 5-mm solenoidal rf coil for high power, multi-pulse sequence experiments, such as 2D PISEMA or 2D SAMMY.

• Food Science of Animal Resources
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• v.41 no.2
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• pp.312-323
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• 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.

• Korean Journal of Microbiology
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• v.25 no.4
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• pp.304-308
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• 1987

The mode of transglycosylation reaction observed during the action of low-molecular-weight 1,4-$\beta$-D-glucan glucanohydrolase (EC 3.2.1.4) purified from Trichoderma koningii ATCC 26113 was investigated using $^{1}H-NMR $spectroscopy. The H-1 proton resonances were analysed. After reaction of the enzyme with cellotriose, the reaction products were separated by high performance liquid chromatography. H-1 resonances of the products were consisted with those of cellobiose, cellotriose and cellotitraose, respectively. Therefore it was proved that all the reaction products formed by the action of the enzyme on cellooligosaccharides, including transglycosylation products, possess only H-NMR -1,4-glycosidic linkage(s).

• Journal of Applied Biological Chemistry
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• v.64 no.4
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• pp.343-349
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• 2021

The rhizomes of Cnidium officinalis were extracted in aqueous MeOH, and the concentrate was fractionated via systematic solvent fractionation to EtOAc, n-BuOH, and aqueous fractions. The repeated column chromatography of EtOAc and n-BuOH fractions using silica gel, octadecyl silica gel, and Sephadex LH-20 as stationary phase to afford five lipids. They were identified to be methyl linoleate (1), linoleic aicd (2) 6-linoleoyl-𝛼-D-glucopyranosyl 𝛽-D-fructofuranoside (3), 1-linolenoyl-3-(𝛼-D-galactopyranosyl (1→6)-𝛽-D-galactopyranosyl) glycerol (4), and 1-linoleoyl-3-(𝛼-D-galactopyranosyl (1→6)-𝛽-D-galactopyranosyl) glycerol (5) on the basis of spectroscopic data such as IR, MS, and Nuclear magnetic resonance (NMR). Compounds 1 and 3-5 were isolated for the first time from this plant in this study. The NMR data of fatty acids 1 and 2 reported in literatures are different each other. Authors identified the NMR data without ambiguity. Compound 3, a conjugate of sucrose and fatty acid, and compounds 4 and 5, digalactosyl monoglyceride, are very rarely occurred in natural source. Through the immune enhancement and anticancer activity of the reported lipid compounds, the potential as various pharmacologically active materials of Cnidium officinalis rhizome can be expected.

• Journal of Microbiology and Biotechnology
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• v.18 no.2
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• pp.314-321
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• 2008

Acaricidal effects of materials derived from Diospyros kaki roots against Dermatophagoides farinae and D. pteronyssinus were assessed using impregnated fabric disk bioassay and compared with that of the commercial benzyl benzoate. The observed responses varied according to dosage and mite species. The $LD_{50}$ values of the chloroform extract of Diospyros kaki roots were 1.66 and $0.96{\mu}g/cm^2$ against D. farinae and D. pteronyssinus. The chloroform extract of Diospyros kaki roots was approximately 15.2 more toxic than benzyl benzoate against D. farinae, and 7.6 times more toxic against D. pteronyssinus. Purification of the biologically active constituent from D. kaki roots was done by using silica gel chromatography and high-performance liquid chromatography. The structure of the acaricidal component was analyzed by GC-MS, $^1H-NMR,\;^{13}C-NMR,\;^1H-^{13}C$ COSY-NMR, and DEPT-NMR spectra, and identified as plumbagin. The acaricidal activity of plumbagin and its derivatives (naphthazarin, dichlon, 2,3-dibromo-1,4-naphthoquinone, and 2-bromo-1,4-naphthoquinone) was examined. On the basis of $LD_{50}$ values, the most toxic compound against D. farinae was naphthazarin $(0.011{\mu}g/cm^2)$ followed by plumbagin $(0.019{\mu}g/cm^2),$ 2-bromo-1,4-naphthoquinone $(0.079{\mu}g/cm^2)$, dichlon $(0.422{\mu}g/cm^2)$, and benzyl benzoate $(9.14{\mu}g/cm^2)$. Additionally, the skin color of the dust mites was changed from colorless-transparent to dark brown-black by the treatment of plumbagin. Similar results have been exhibited in its derivatives (naphthazarin, dichlon, and 2-bromo-1,4-naphthoquinone). In contrast, little or no discoloration was observed for benzyl benzoate. From this point of view, plumbagin and its derivatives can be very useful for the potential control agents, lead compounds, and indicator of house dust mites.

• Bulletin of the Korean Chemical Society
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• v.19 no.5
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• pp.519-524
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• 1998

In this work, we applied the 1D 11B nutation NMR method for the analysis of the local structural environments in powdered borosilicates (SiO2-B2O3). Spin dynamics during a rf irradiation for spin I=3/2 was analytically calculated with a density matrix formalism. Spectral simulation programs were written in MATLAB on a PC. Two borosilicates prepared by the sol-gel process at different stabilization temperature were used for the 1D 11B nutation NMR experiment. The 11B NMR parameters, quadrupole coupling constants (e2qQ/h) and asymmetry parameters (η), for each borosilicate were extracted from the nonlinear least-squares fitting. The effects of heat treatments on the local structures of boron sites in borosilicates were discussed.

• Korean Journal of Pharmacognosy
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• v.31 no.1
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• pp.34-38
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• 2000

Three compounds were isolated from the roots of Astragalus membranaceus (Leguminosae). On the basis of spectroscopic evidences, the structures were characterized as $3-0-{\beta}-D-xylopyranosyl-(2',3'-O-diacetyl)-6-0-{\beta}-D-glucopyranosyl-3{\beta},6{\alpha},16{\beta},25-tetrahydroxy-20(R)$,24(S)-epoxy-cycloartane(Astragaloside I), $3-0-{\beta}-D-xylopyranosyl-(2'-O-acetyl)-6-0-{\beta}-D-glucopyranosyl-3{\beta},6{\alpha},16{\beta},25-tetrahydroxy-20(R)$,24(S)-epoxy-cycloartane(Astragaloside II), $3-0-{\beta}-D-xylopyranosyl-(2',4'-O-diacetyl)-6-0-{\beta}-D-glucopyranosyl-3{\beta},6{\alpha},16{\beta},25-tetrahydroxy-20(R)$,24(S)-epoxycycloartane(Isoastragaloside I). Full data of NMR including HMBC and 1D-TOCSY experiment of these compounds were reported for the first time.

• Journal of the Mineralogical Society of Korea
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• v.22 no.4
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• pp.343-352
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• 2009

High-resolution Solid-state NMR provides element specific and quantitative information and also resolves, otherwise overlapping atomic configurations in multi-component non-crystalline silicates. Here we report the preliminary results on the effect of composition on the structure of CMAS (CaO-MgO-$Al_2O_3-SiO_2$) silicate glasses, as a model system for basaltic magmas, using the high-resolution 1D and 2D solid-state NMR. The $^{27}Al$ MAS NMR spectra for the CMAS silicate glasses show that four-coordinated Al is predominant, demonstrating that $Al^{3+}$ is network forming cation. The peak position moves toward lower frequency about 4.7 ppm with increasing $X_{MgO}$ due to an increase in $Q^4$(4Si) fraction with increasing Si content, indicating that Al are surrounded only by bridging oxygen. $^{17}O$ MAS NMR spectra for $CaAl_2SiO_6$ and $CaMgSi_2O_6$ glasses qualitatively suggest that NBO fraction in the former is smaller than that in $CaMgSi_2O_6$ glasses. As $^{17}O$ 3QMAS NMR spectrum of model quaternary aluminosilicate glass resolved distinct bridging and non-bridging oxygen environments, atomic structure for natural magmas can also be potentially probed using high-resolution 3QMAS NMR.

• Journal of the Korean Magnetic Resonance Society
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• v.7 no.2
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• pp.89-97
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• 2003

Foot-and-mouth disease virus (FMDV) belongs to the aphthovirus genus within the picornavirus which has a single copy of a positive sense RNA. The translation initiation process of FMDV occurs by a cap-independent mechanism directed by a highly structured element (∼435 nt) termed an internal ribosome entry site (IRES). We have designed and prepared FMDV 4-2 RNA (28nt) by in vitro transcription. The 2D NMR data revealed that FMDV 4-2 IRES domain RNA has a flexible loop and bulge conformation. In further study, we need to make an isotope labeled RNA sample and conduct 3D NMR experiments to completely determine the 3D structure. This study may establish a new drug design strategy to treat foot-and mouth disease.