• Title/Summary/Keyword: NMR spectra

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An NMR Study on the Phase Change of Lipid Membranes by an Antimicrobial Peptide, Protegrin-1

  • Kim, Chul
    • Bulletin of the Korean Chemical Society
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    • v.31 no.2
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    • pp.372-378
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    • 2010
  • Membrane disruption by an antimicrobial peptide, protegrin-1 (PG-1), was investigated by measuring the $^2H$ solid-state nuclear magnetic resonance (SSNMR) spectra of 1-palmitoyl-$d_{31}$-2-oleoyl-sn-glycero-3-phosphatidylcholine (POPC_$d_{31}$) in the mixture of PG-1 and POPC_$d_{31}$ lipids deposited on thin cover-glass plates. The experimental line shapes of anisotropic $^2H$ SSNMR spectra measured at various peptide-to-lipid (P/L) ratios were simulated reasonably by assuming the mosaic spread of bilayers containing pore structures or the coexistence of the mosaic spread of bilayers and a fast-tumbling isotropic phase. Within a few days of incubation in the hydration chamber, the pores were formed by the peptide in the POPC_$d_{31}$ and POPC_$d_{31}$/cholesterol membranes. However, the formation of the pores was not clear in the POPC_$d_{31}$/1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylglycerol (POPG) membrane. Over a hundred days after hydration, a rapidly rotating isotropic phase increased in the POPC_$d_{31}$ and the POPC_$d_{31}$/cholesterol membranes with the higher P/L ratios, but no isotropic phase appeared in the POPC_$d_{31}$/POPG membrane. Cholesterol added in the POPC bilayer acted as a stabilizer of the pore structure and suppressed the formation of a fast-tumbling isotropic phase.

Separation and Characterization of Water Soluble Blue Pigments Formed from Geniposide of Gardenia Fruits

  • Park, Jee-Eun;Hahn, Tae-Ryong;Paik, Young-Sook
    • Journal of Applied Biological Chemistry
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    • v.44 no.4
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    • pp.190-193
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    • 2001
  • Genipin, aglycone of geniposide isolated from fruits of Gardenia jasminoides, was transformed into blue pigments through reaction with glycine and methylamine. The blue pigments formed from glycine-reacted genipin were passed through Bio-Gel P-2 resin yielding fractions GG1 and GG2, and those from methylamine-reacted genipin were separated into fractions GM1-GM4. The first eluted higher molecular-weight fractions, GG1 and GM1, had higher tinctorial strength than the later eluted lower molecular-weight fractions, GG2 and GM2-GM4, respectively. $^1H-NMR$ spectra of GG1 and GM1 showed very broad peaks indicating that structures of the pigments were highly polymeric. $^1H-NMR$ spectra of GG2, GM3, and GM4 showed several sharp peaks at aliphatic and aromatic regions with accompanying broad peaks, although the spectrum of GM2 was rather simple. Determination of the structural and physical nature of the isolated pigments is in progress.

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Nucleus-phonon interactions of MCsSO4 (M = Na, K, or Rb) single crystals studied using spin-lattice relaxation time

  • Choi, Jae Hun;Kim, Nam Hee;Lim, Ae Ran
    • Journal of the Korean Magnetic Resonance Society
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    • v.18 no.1
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    • pp.15-23
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    • 2014
  • The structural properties and relaxation processes of $MCsSO_4$ (M = Na, K, or Rb) crystals were investigated by measuring the NMR spectra and spin-lattice relaxation rates $1/T_1$ of their $^{23}Na$, $^{39}K$, $^{87}Rb$, and $^{133}Cs$ nuclei. According to the NMR spectra, the $MCsSO_4$ crystals contain two crystallographically inequivalent sites each for the M and Cs ions. Further, the relaxation rates of all these nuclei do not change significantly over the investigated temperature range, indicating that no phase transitions occur in these crystals in this range. The variations in the $1/T_1$ values of the $^{23}Na$, $^{39}K$, $^{87}Rb$, and $^{133}Cs$ nuclei in these three crystals with increasing temperature are approximately proportional to $T^2$, indicating that Raman processes may be responsible for the relaxation. Therefore, for nuclear quadrupole relaxation of the $^{23}Na$, $^{39}K$, $^{87}Rb$, and $^{133}Cs$ nuclei, Raman processes with n = 2 are more effective than direct processes.

The ability of absorption and physicochemical properties of chitosan prepared from fungi

  • Kim, Bong-Seob;Lee, Kook-Eui;Suh, Myung-Gyo;Roh, Jong-Su;Lee, Yong-Hee;Suh, Jung-Ho
    • Proceedings of the Korean Environmental Health Society Conference
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    • 2003.06a
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    • pp.116-122
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    • 2003
  • The physicochemical properties of fungal chitosan at 95$^{\circ}C$ and 40$^{\circ}C$ acid treatment was as follows respectively. The nitrogen content was 6.71%, 6.91%, the viscosity 2.23cps, 2.21cps, the acetylation 12.0%, 12.7% and the molecular weight 3.12${\times}$10$\^$5/ Dalton, 3.01${\times}$10$\^$5/ Dalton. The absorbency band of reference, FCs-40 and FCs-95 in I.R. spectra was almost in accord with one another. In solid state NMR spectra, methyl group(-CH$_3$) was observed lightly. That means which deacetylation was well occurred. Carbonyl group(C=O) was not observed. C$_1$ to C$\_$6/ in solid state NMR was well observed seperately enough.

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Synthesis of 3-Chromonealdehyde(2,2-disubstituted)hydrazone Derivatives for Green Light Emitting Materials (녹색발광 3-크로몬알데히드(2,2-이치환)하이드라존 유도체의 합성)

  • Chung, Pyung Jin;Chang, Hong Joon
    • Applied Chemistry for Engineering
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    • v.20 no.6
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    • pp.670-674
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    • 2009
  • 3-Chromonealdehyde(2,2-disubstituted)hydrazone derivatives were synthesized by dehydration condensation. They are green-emitting materials for organic light emitting device (OLED) composed of electron acceptor of 3-chromonealdehydes and electron donor of 2,2-disubstituted hydrazones by a conjugated structure. The structural properties of reaction products were analyzed FT-IR and $^1H-NMR$ spectroscopy. The thermal stabilities and reactivities were measured by melting points and yields. The UV-visibles and PL properties can be determined by excitation spectra and emission spectra, respectively.

Properties of Materials for Treatment of Chromate in Industrial Wastewater (산업폐수중 Chromate이온 처리용 소재특성)

  • 전용진;김영준;홍영호
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.5 no.2
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    • pp.103-107
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    • 2004
  • This paper was studied the properties of materials for treatment of anionic chromate$(CrO4^{-2})$ in industrial wastewater. Ion exchange fiber, poly(acryloamidino diethylene diamine) with ion exchange and adsorption was prepared PAN fiber and diethylenetriamine under $AlC1_3$ catalyst at $120^\circ{C}$ and was analyzed $^{{13}/C-NMR$}$ and FT-IR spectroscopy. The maximum adsorption and the coordination of chromate on chelating fiber were analyzed FT-IR spectra. We proposed the coordination structure with inter/intramolecular bond.

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Spectral, Magnetic, and Thermal Properties of Some Thiazolylazo Complexes (Thiazolylazo 화합물의 분광학적, 자기적, 그리고 열적성질)

  • Masoud, M.S.;Mohamed, G.B.;Abdul-Razek Y.H.;Ali A.E.;Khairy F.N.
    • Journal of the Korean Chemical Society
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    • v.46 no.2
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    • pp.99-116
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    • 2002
  • The thiazolylazo compounds and their Co(II), Ni(II) and Cu(II) complexes of barbituric acid, uracil, thiouracil, citrazinic acid, chromotropic acid, gallic acid, pyrogallol and salicylic acid were pre-pared and characterized by $^1H$ NMR , IR and the effect of pH on the electronic absorption spectra . The mode of ionization, the electronic transitions and the dissociation constants were discussed. The stoichiometries of the complexes were of 1:1, 2:1 and 3:2 (M:L). The copper complexes are of isotropic ESR spectra (except that of gallic acid which showed a complicated one) and are of magnetically diluted behaviour with orbital con-tribution. Detailed DTA data were obtained and discussed.

Synthesis of Novel D-Glucose-derived Benzyl and Alkyl 1,2,3-Triazoles as Potential Antifungal and Antibacterial Agents

  • Wei, Jin-Jian;Jin, Lei;Wan, Kun;Zhou, Cheng-He
    • Bulletin of the Korean Chemical Society
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    • v.32 no.1
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    • pp.229-238
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    • 2011
  • A series of novel glucose derived benzyl and alkyl 1,2,3-triazoles and their hydrochlorides have been synthesized via Cu(I)-catalyzed 1,3-dipolar cycloaddition. All the new compounds were characterized by MS, IR and NMR spectra. The DEPT, APT, $^1H$-$^1H$ and $^1H-^{13}C$ 2D NMR spectra for some compounds were also recorded. These compounds were evaluated for their in vitro antibacterial activities against Staphylococcus aureus ATCC 29213, Bacillus subtilis, Bacillus proteus, Pseudomonas aeruginosa, Escherichia coli ATCC 25922, and antifungal activities against Candida albicans and Aspergillus fumigatus. The bioactive data revealed that (3R,4S,5S,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis((1-octyl-1H-1,2,3-triazol-4-yl)methoxy)-tetrahydro-2H-pyran-3-ol 8a exhibited excellent antifungal activity against A. fumigatus with an MIC value of 0.055 mM compared to Fluconazole. It also showed broad inhibitory efficacy against tested bacterial strains with MIC values ranging from 0.049 mM to 0.39 mM.

Syntheses of Alternating Head-to-Head Copolymers of Vinyl Ketones and Vinyl Ethers, and Their Properties. Ring-Opening Polymerization of 2,3,6-Trisubstituted-3,4-dihydro-2H-pyrans

  • Lee, Ju-Yeon;Cho, I-Whan
    • Bulletin of the Korean Chemical Society
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    • v.8 no.2
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    • pp.102-105
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    • 1987
  • 2-Methoxy-6-methyl-3,4-dihydro-2H-pyran ($1_a$), 2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyran ($1_b$), and 2-ethoxy-3-methyl-6-ethyl-3,4-dihydro-2H-pyran ($1_c$) were prepared by (4 + 2) cycloaddition reaction from the corresponding vinyl ketones and alkyl vinyl ethers. Compounds $1_{a-c}$ were ring-open polymerized by cationic catalyst to obtain alternating head-to-head (H-H) copolymers. For comparison, copolymer of head-to-tail (H-T) was also prepared by free radical copolymerization of the mixture of the corresponding monomers. The H-H copolymer exhibited some differences in its $^1H$ NMR and IR spectra. However, significant differences were showed between the H-H and H-T copolymers in the $^{13}C$ NMR spectra. Also noteworthy was that$T_g$ value of H-H copolymer was higher than that of the corresponding H-T structure. Decomposition temperature of the H-H copolymer was lower than that of the H-T copolymer. All the H-H and H-T copolymers were soluble in common solvents.

Assignment of ¹H and $^{13}C$ Nuclear Magnetic Resonances of Ganglioside $G_{A1}$

  • 이경익;전길자;류경임;방은정;최병석;김양미
    • Bulletin of the Korean Chemical Society
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    • v.16 no.9
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    • pp.864-869
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    • 1995
  • Investigation of the structures of the gangliosides has proven to be very important in the understanding of their biological roles such as regulation of differentiation and growth of cells. We used nuclear magnetic resonance spectros-copy in order to investigate the structure of GA1. In order to do this, the assignment of spectra is a prerequisite. Since GA1 does not have polar sialic acid, the spectral overlap is severe. In order to solve this problem, we use 2D NMR spectroscopy and heteronuclear 1H/13C correlated spectroscopy in this study. Here, we report the complete assignment of the proton and the carbon spectra of the GA1 in DMSO-d6-D20 (98:2, v/v). These assignments will be useful for interpreting 1H and 13C NMR data from uncharacterized oligosaccharides and for determining the linkage position, the number of sugar rings, and the sequence of new ganglioside. Amide proton in ring Ⅲ shows many interring nOes and has intramolecular hydrogen bonding. This appears to be an important factor in tertiary folding of GA1. Based on this assignment, determination of three dimensional structure of GA1 will be carried out. Studies on the conformational properties of GA1 may lead to a better understanding of the molecular basis of its functions.