• Title/Summary/Keyword: ^{13}C chemical shift

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Polyphenolic Metabolites of the Flowers of Tamarix tetragyna

  • El-Mousallami, Amani M.D.;Hussein, Sahar A.M.;Nawwar, Mahmoud A.M.
    • Natural Product Sciences
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    • v.6 no.4
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    • pp.193-198
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    • 2000
  • Phytochemical study of the constitutive polyphenolics of the flower aqueous alcohol extract of Tamarix tetragyna was carried out. The new sulphated flavonol, quercetin 3',4'-dimethyl ether $3-O-KSO_3$ as well as the new natural galloyl glucose, $2-O-galloyl-({\alpha}/{\beta})-^4C_1-glucopyranose$ were isolated and characterized. The known sulphated flavonols, kaempferol 7,4-dimethyl ether $3,5-di-O-KSO_3$, quercetin 7-methyl ether $3,3',4'-tri-O-KSO_3$, quercetin 7,4'-dimethyl ether $3-O-KSO_3$ and quercetin $3-O-KSO_3$ and the known sulphated phenolics, isoferulic acid $3-O-KSO_3$ and ellagic acid 4,4'-dimethyl ether $3-O-KSO_3$ were also separated and identified. The structures were established by conventional methods of analysis and confirmed by $^1H-,\;^{13}C-NMR$ and negative ESI-mass spectrometry. 2D-homonuclear chemical shift correlation NMR experiment was applied for the new natural galloylglucose.

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Backbone 1H, 15N, and 13C Resonances Assignment and Secondary Structure Prediction of SAV0506 from Staphylococcus aureus

  • Lee, In Gyun;Lee, Ki-Young;Kim, Ji-Hun;Chae, Susanna;Lee, Bong-Jin
    • Journal of the Korean Magnetic Resonance Society
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    • v.17 no.1
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    • pp.54-58
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    • 2013
  • SAV0506 is an 87 residue hypothetical protein from Staphylococcus aureus strain Mu50 and also predicted to have similar function to ribosome associated heat shock protein, Hsp 15. Hsp15 is thought to be involved in the repair mechanism of erroneously produced 50S ribosome subunit. In this report, we present the sequence specific backbone resonance assignment of SAV0506. About 82.5% of all resonances could be assigned unambiguously. By analyzing deviations of the $C{\alpha}$ and $C{\beta}$ chemical shift values, we could predict the secondary structure of SAV0506. This study is an essential step towards the structural characterization of SAV0506.

Backbone assignments of 1H, 15N and 13C resonances and secondary structure prediction of MRA1997 from Mycobacterium tuberculosis H37Rv

  • Kim, Hyojung;Kim, Yena;Lee, Ki-Young;Lee, Bong-Jin
    • Journal of the Korean Magnetic Resonance Society
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    • v.19 no.1
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    • pp.49-53
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    • 2015
  • MRA1997 is a 76-residue conserved hypothetical protein of Mycobacterium tuberculosis H37Ra, one of the most pathogenic bacterial species and the causative agent of tuberculosis. In this study, the sequence-specific backbone resonance assignment of MRA1997 was performed using NMR spectroscopy. Approximately 88.3% of the total resonances could be unambiguously assigned. By analyzing deviations of the $C{\alpha}$ and $C{\beta}$ chemical shift values, the secondary structure of MRA1997 was calculated. The result revealed that secondary structure of MRA 1997 consists of one ${\alpha}$-helix and five ${\beta}$-sheets. Our structural study will be a footstone towards the characterization of the three-dimensional structure of MRA1997.

Lignin Characterization of Waste Liquor by Modified Pulping Process (개량(改良)펄프화법(化法)으로 제조(製造)된 폐액(廢液)중의 리그닌의 특성(特性))

  • Hwang, Byung-Ho;Cho, Hern-Joung;Lee, Jong-Yoon
    • Journal of the Korean Wood Science and Technology
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    • v.23 no.1
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    • pp.13-20
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    • 1995
  • This study was carried out to investigate the characterization of lignins from waste liquors in SP, KP, ASAM, and AS from Pinus densiflora, Quercus mongolica, and Betula ermanii. Spectroscopic study was applied to examine the lignins separated from different pulping process. Lignin contents in waste liqours increased in order of AS, ASAM, KP, and SP. UV spectra of three types of lignin except AS lignin showed similar pattern. IR spectra of AS lignin showed strong C=O absorptions in the range from 1730 to 1750$cm^{-1}$, where as those of KP, SP, and ASAM showed weak stretch in this region. NMR spectra of AS lignin showed strong characteristic chemical shifts of acetoxyl groups of acetylated aliphatic and aromatic hydroxyl groups at 2.0~2.5 ppm. Molecular weight of ASAM lignin from Pinus densiflora determined and found number average molecular weight 1,199, weight average molecular weight 5,458. z average molecular weight 17,242, and viscosity average molecular weight 5,457. It is considered from the results based on spectroscopic study of lignin that waste liquors (in SP, KP, ASAM and AS) from Pinus densiflora, Quercus mongolica, and Betula ermanii can be used for lignin utilization.

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Synthesis of o-Xylene-Organosilicon Hybrid Polymer and Its Optical Properties

  • Choi, Jin-Kyu;Jeong, Hyun-Dam
    • Bulletin of the Korean Chemical Society
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    • v.34 no.2
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    • pp.515-518
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    • 2013
  • We present synthesis of a new kind of organic-inorganic hybrid polymer, poly xylene-hexamethyltrisiloxane hybrid (PXS) by a new synthetic way from o-xylene and 1,1,3,3,5,5-hexamethyltrisiloxane. The merged molecular structure of the two monomeric components for the PXS polymer was confirmed by $^{13}C$- and $^1H$-NMR, and FT-IR. Its optical absorption and emission properties were investigated by UV-vis absorption and photoluminescence (PL) spectroscopy. The PXS exhibits absorption at 265 nm which is the same with the o-xylene but tailing up to nearly 400 nm, which is maybe related the polymeric structure of the PXS. For the PL investigation, the PXS shows red-shift of the peak from 288 nm (o-xylene) to 372 nm in the case of excitation at 265 nm, at which both PXS and o-xylene have sufficiently high absorption for excitation. When 325-nm laser is used for excitation, the PXS shows a broader peak at 395 nm compared to the excitation at 265 nm and the o-xylene shows no luminescence probably due to the lack of absorption at 325 nm.

Dual positional substrate specificity of rice allene oxide synthase-1: insight into mechanism of inhibition by type II ligand imidazole

  • Yoeun, Sereyvath;Rakwal, Randeep;Han, Oksoo
    • BMB Reports
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    • v.46 no.3
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    • pp.151-156
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    • 2013
  • Phylogenetic and amino acid sequence analysis indicated that rice allene oxide synthase-1 (OsAOS1) is CYP74, and is clearly distinct from CYP74B, C and D subfamilies. Regio- and stereo-chemical analysis revealed the dual substrate specificity of OsAOS1 for (cis,trans)-configurational isomers of 13(S)- and 9(S)-hydroperoxyoctadecadienoic acid. GC-MS analysis showed that OsAOS1 converts 13(S)- and 9(S)-hydroperoxyoctadecadi(tri)enoic acid into their corresponding allene oxide. UV-Visible spectral analysis of native OsAOS1 revealed a Soret maximum at 393 nm, which shifted to 424 nm with several clean isobestic points upon binding of OsAOS1 to imidazole. The spectral shift induced by imidazole correlated with inhibition of OsAOS1 activity, implying that imidazole may coordinate to ferric heme iron, triggering a heme-iron transition from high spin state to low spin state. The implications and significance of a putative type II ligand-induced spin state transition in OsAOS1 are discussed.

Structural Studies of Peptide Binding Interaction of HCV IRES Domain IV

  • Shin, Ji Yeon;Bang, Kyeong-Mi;Song, Hyun Kyu;Kim, Nak-Kyoon
    • Journal of the Korean Magnetic Resonance Society
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    • v.21 no.3
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    • pp.109-113
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    • 2017
  • The hepatitis C virus (HCV) internal ribosome entry site (IRES) is an RNA structure located in the 5'-UTR of the HCV RNA genome. The HCV IRES consists of four domains I, II, III, and IV, where domains II - IV are recognized by 40S ribosomal subunit and the domain III is bound to eukaryotic initiation factor 3 (eIF3) for translation initiation. Here, we have characterized the tertiary interaction between an L-/K- rich peptide and the HCV IRES domain IV. To probe the peptide binding interface in RNA, we synthesized $^{13}C$- and $^{15}N$-double labeled RNA and the binding site was identified by using the chemical shift perturbation (CSP) NMR methods. Our results showed that the peptide binds to the upper stem of the IRES domain IV, indicating that the tertiary interaction between the IRES domain IV and the peptide would disrupt the initiation of translation of HCV mRNA by blocking the start codon exposure. This study will provide an insight into the new peptide-based anti-viral drug design targeting HCV IRES RNA.

HP0902 from Helicobacter pylori is a thermostable, dimeric protein belonging to an all-β topology of the cupin superfamily

  • Sim, Dae-Won;Lee, Yoo-Sup;Kim, Ji-Hun;Seo, Min-Duk;Lee, Bong-Jin;Won, Hyung-Sik
    • BMB Reports
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    • v.42 no.6
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    • pp.387-392
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    • 2009
  • Here, we report the first biochemical and structural characterization of the hypothetical protein HP0902 from Helicobacter pylori, in terms of structural genomics. Gel-permeation chromatography and dynamic light scattering indicated that the protein behaves as a dimer in solution. Circular dichroism spectroscopy showed that HP0902 primarily adopts a $\beta$-structure and the protein was highly thermostable with a denaturing temperature higher than $70^{\circ}C$. Finally, the backbone NMR assignments were obtained on the [$^{13}C,^{15}N$]HP0902 and the secondary structure was determined using the chemical shift data. Additionally, the local flexibility was assessed via a heteronuclear $^1H-^{15}N$ steady state NOE experiment. The results revealed that HP0902 would adopt a compactly folded, all-$\beta$ topology with 11 $\beta$-strands. All of the results clearly support the notion that HP0902 belongs to the cupin superfamily of proteins.

Kinetic and Effectiveness Factor for Methanol Steam Reforming over CuO-ZnO-Al2O3 Catalysts (CuO-ZnO-Al2O3 촉매에서의 메탄올 수증기 개질반응에 대한 반응속도와 유효성인자)

  • Lim, Mee-Sook;Suh, Soong-Hyuck
    • Transactions of the Korean hydrogen and new energy society
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    • v.13 no.3
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    • pp.214-223
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    • 2002
  • Kinetic and effectiveness factors for methanol steam reforming using commercial copper-containing catalysts in a plug flow reactor were investigated over the temperature ranges of $180-250^{\circ}C$ at atmospheric pressure. The selectivity of $CO_2$/$H_2$ was almost 100%, and CO products were not observed under reaction conditions employed in this work. It was indicated that $CO_2$ was directly produced and CO was formed via the reverse water gas shift reaction after methanol steam reforming. The intrinsic kinetics for such reactions were well described by the Langmuir-Hinshelwood model based on the dual-site mechanism. The six parameters in this model, including the activation energy of 103kJ/mol, were estimated from diffusion-free data. The significant effect of internal diffusion was observed for temperature higher than $230^{\circ}C$ or particle sizes larger than 0.36mm. In the diflusion-limited case, this model combined with internal effectiveness factors was also found to be good agreement with experimental data.

Characterization of Glycine Metal Salts for $CO_2$ Absorption (이산화탄소 흡수를 위한 글리신 금속염의 특성 연구)

  • Lim, Yun-Hui;Park, Young Koo;Jo, Young-Min
    • Applied Chemistry for Engineering
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    • v.23 no.3
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    • pp.284-288
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    • 2012
  • This work deals with the chemical characterization of glycine aqueous solution in $CO_2$ absorption. Three alkali elements were impregnated into the glycine in order to facilitate the formation of amino functionalities. The analysis by IR revealed the transformation of ammonium ions to the amino group. In addition, the NMR analysis showed that the substitution of metal cations to the chemical shift of hydrogen and carbon atoms in glycine; in order of lithium glycinate, sodium glycinate and potassium glycinate depending on the electro negativity. Meanwhile, the $CO_2$ absorption at room temperature was the highest in primary amine solution, but at the increasing temperature sodium glycinate could capture more $CO_2$ than that of the pure amine solution.