• Journal of the Korean Magnetic Resonance Society
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• v.13 no.2
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• pp.108-116
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• 2009

The HP0902, a homodimeric 22.1 kDa protein, has been suggested as a putative secretory protein from Helicobacter pylori, although the protein possesses no signal peptide for secretion. Since it may be associated with the virulence of the bacterium, NMR study has been initiated in terms of structural genomics. In our previous effort to assign the backbone NMR resonances, using 800MHz NMR machine at pH 7.8, the resonances from eight of the 99 residues could not be assined due to missing of the signals. In this work, to enhance the extent of assignments, a 900 MHz machine was employed and the sample pH was reduced down to 6.5. Finally, almost all signals, except for those from G9 and S24, could be clearly assigned. The determined secondary structure using the assined chemical shifts indicated that the HP0902 consists of 11 ${\beta}$-strands with no helices. In our database search result, HP0902 was predicted to interact with VacA (Vacuolating cytotoxin A), which is a representative virulence factor secreted from Helicobacter pylori. Thus, molecular interaction between HP0902 and VacA would be worthy of investigation, on the basis of the present results of NMR assignments.

• Bulletin of the Korean Chemical Society
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• v.15 no.8
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• pp.673-679
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• 1994

$^1H$ NMR spectra of imidazole, 2-and 4(5)-methylimidazole, histamine, L-histidine, L-histidine methyl ester, N${\alpha}$-acetyl-L-histidine, and L-carnosine coordinated to the paramagnetic undecatungstocobalto(II)silicate ($SiW_{11}Co$) and undecatungstonickelo(II)silicate ($SiW_{11}Ni$) anions are reported. For these complexes the ligand exchange is slow on the NMR time scale and the pure resonance lines of the free ligand and the complexes have been observed separately at room temperature. Two different complexes are formed, depending upon which nitrogen atom of the imidazole ring is coordinated to the cobalt or nickel ion of $SiW_{11}M$. Thus the NMR spectrum of a $D_2O$ solution containing a ligand and $SiW_{11}M$ consists of three sets of lines originating from the free ligand and two complexes. All NMR lines of the $SiW_{11}Co$ complexes have been assigned unequivocally using the saturation transfer technique. The temperature dependence of some spectra are also reported. The NMR spectra of some complexes show that the internal rotation of the substituent on the imidazole ring is hampered by the heteropolyanion moiety even at room temperature.

• Korean Journal of Environmental Agriculture
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• v.12 no.2
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• pp.169-175
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• 1993

O-Ethyl S-methyl ethylphosphonothioate was studied for chemical and metabolic oxidation using $^{31}P-NMR$ analyses. The chemical shifts of O-ethyl ethylphosphonic acid (2) which is one of major metabolites were changed with the variation of oxidation systems. $^{31}P-NMR$ chemical shifts of 2 were observed at 40.15ppm from oxidaton by MCPBA, 30.98 ppm by MMPP, 29.31 ppm from in vitro rat liver microsomal oxidation, and 29.10 ppm from in vivo metabolism in houseflies. $^{31}P-NMR$ chemical shift of 2 in two different solvents such as deutero-chloroform and deuterium oxide were observed at 30.70 ppm and 40.15 ppm, respectively. And those of the metabolites were also observed at around 30 ppm under the conditions of pH 3, 5.6 and 14 and 47.91 ppm under pH 1 which is a strong acidic condition. It could be explained that the ionized form of 2 should have greater shielding effect on phosphorus atom and hence shows upfield chemical shift in polar solvents and alkaline conditions. On the other hand, a protonated form under organic solvents and the strong acidic condition should have less shielding effect than its ionized form, shifting the peak downfield.

• Polymer(Korea)
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• v.27 no.2
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• pp.159-166
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• 2003

For the purpose of obtaining surface-anionized poly(vinyl alcohol) (PVA) hydrogel beads, vinyl acetate(VAc) and methacrylic acid(MMA) were copolymerized by the suspension polymerization technique and followed by the saponification. It was confirmed by $^1$H-NMR that the copolymerized microspheres contained carboxylic acid groups in their surface. poly(VAc-co-MAA) microspheres were completely saponified in the heterogeneous system. The saponification reaction was laster than that of PVAc microspheres. We observed the swelling property of saponified PVA microspheres treated in the acidic solution and in the alkaline solution successively. Saponified microspheres shrank in acidic solution and swelled in alkaline solution respectively, which was reversible. from the result, saponified microspheres were highly water-absorbing hydrogel beads and were certified -COOH group at their surface by $^1$H-NMR and FT-IR.

• Journal of the Korean Chemical Society
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• v.37 no.1
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• pp.43-48
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• 1993

The $^1H-NMR$ spectra of the NH-group were obtained for N-ethylacetamide (NEAA) in the series of n-alcohols over a temperature range of 310∼350K by using NMR spectroscopy. The $^1H-NMR$ lineshape coupled to $^{14}N$ nucleus were analyzed to obtain the reorientational correlation times ${\tau}_c$ of NEAA. The data indicate that the coupling of solute and solvent decreases as the chain length of n-alcohols increases. But in the n-alcohols the reorientational motion depends almost linearly on η/T of solvents over our temperature range. The results are discussed in the context of the subslip phenomenon.

• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2651-2654
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• 2009

In borohydride-protected nanosilvers in laponite sol, the silver particles aggregate to form short chains and a dumbbell shape. The $^{1}H$ NMR measurements in this study represent, to our knowledge, the first observation of proton resonances of borohydride-protected nanosilvers in aqueous solution. Borohydride on nanosilver can be exchanged with 11-mercaptoundecanoic acid (MUA) or trioctylphosphine (TOP). Transmission electron microscopy and UV-Vis spectroscopy data show that the number of aggregated silver nanoparticles decreases upon addition of aforementioned ligands due to the formation of silver MPCs (monolayer-protected clusters). Adsorption of MUA or TOP on nanosilver is confirmed through the observation of broad proton resonances of MPCs in $^{1}H$ NMR spectra.

• Journal of the Korean Magnetic Resonance Society
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• v.1 no.2
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• pp.95-102
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• 1997

Deuterium quadrupole coupling constant (e2qzzQ/h) of ($\mu$3-C2H)[Co(CO)3]3 was determined by using solid-state deuterium MAS NMR spectroscopy. The small quadrupole coupling constant of bridging methyne unit relative to sp-acethylene in propyne is discussed in terms of the C-H bond length and the negative charge on the carbon.

• Natural Product Sciences
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• v.9 no.2
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• pp.49-51
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• 2003

The underground part of Rosa rugosa Thunb. has been used in Korean folk medicine for treating diabetes. The $^{1}H-NMR$ signal of procyanidin B3 isolated from Rosa rugosa was fully assigned by utilizing $^{1}H-^{1}H$ COSY. Procyandin B3 showed a moderate inhibitory activity against HIV-1 protease.

• Bulletin of the Korean Chemical Society
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• v.29 no.1
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• pp.81-84
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• 2008

In the present study, we report 1H and 13C NMR data of 19 methoxyflavonol derivatives with different substitution patterns on A- and B-ring. In addition, the influence of the methoxy substituents in A- and B-ring on the 1H and 13C NMR chemical shifts is discussed: the 1H and 13C chemical shifts of and the number of methoxyl groups provided information allowing elimination of many structural isomers from consideration and in certain instances greatly simplified structural elucidation.

• Bulletin of the Korean Chemical Society
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• v.31 no.4
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• pp.815-818
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• 2010

Free base meso-tetraarylporphyrins ($H_2T(X)PP$) react with tellurium(IV) chloride ($TeCl_4$) in mild conditions for formation sandwich intermediate sitting-atop (i-SAT) complexes, [$TeCl_4(H_2T(X)PP)_2$]. $^1H$ NMR, $^{13}C$ NMR, UV-vis, FT-IR and elemental analysis were used for characterization of the products. In the proposed structure of the i-SAT complexes, four pyrroles of each porphyrin ring are tilted alternatively up and down and this appropriates suitable orientation of lone pairs of two pyrrolenine nitrogens for electron donation to a tellurium center. $^1H$ NMR and FT-IR results showed that in the produced complex, hydrogen atoms of porphyrin macrocycles remained on the pyrrole nitrogens.