• 제목/요약/키워드: Solution NMR

검색결과 565건 처리시간 0.028초

Backbone 1H, 15N, and 13C Resonance Assignment and Secondary Structure Prediction of HP0495 from Helicobacter pylori

  • Seo, Min-Duk;Park, Sung-Jean;Kim, Hyun-Jung;Seok, Seung-Hyeon;Lee, Bong-Jin
    • BMB Reports
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    • 제40권5호
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    • pp.839-843
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    • 2007
  • HP0495 (Swiss-Prot ID; Y495_HELPY) is an 86-residue hypothetical protein from Helicobacter pylori strain 26695. The function of HP0495 cannot be identified based on sequence homology, and HP0495 is included in a fairly unique sequence family. Here, we report the sequencespecific backbone resonance assignments of HP0495. About 97% of all the $^1HN$, $^{15}N$, $^{13}C{\alpha}$, $^{13}C{\beta}$, and $^{13}CO$ resonances were assigned unambiguously. We could predict the secondary structure of HP0495, by analyzing the deviation of the $^{13}C{\alpha}$ and $^{13}C{\beta}$ shemical shifts from their respective random coil values. Secondary structure prediction shows that HP0495 consists of two $\alpha$-helices and four $\beta$-strands. This study is a prerequisite for determining the solution structure of HP0495 and investigating the protein-protein interaction between HP0495 and other Helicobacter pylori proteins.

Effect of Crown Ring Size and Upper Moiety on the Extraction of s-Block Metals by Ionizable Calixcrown Nano-baskets

  • Mokhtari, Bahram;Pourabdollah, Kobra
    • Bulletin of the Korean Chemical Society
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    • 제32권11호
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    • pp.3979-3990
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    • 2011
  • Eight ionizable nano-baskets of cone 25,26-di(carboxymethoxy)calix[4]arene-crown-3,4,5,6 were synthesized and were verified by $^1H$ and $^{13}C$ NMR spectroscopy, IR spectroscopy and elemental analysis. The competitive solvent extractions of alkali and alkaline earth metal cations were studied using such nano-baskets. The novelty of this study is including three binding units of calixarene's bowl, crown ether's ring and electron-donor ionizable moieties in a unique scaffold to assess the binding tendency towards the cations. The objective of this work is to study the extraction efficiency, selectivity and $pH_{1/2}$ of such complexes. The result of solvent extraction experiments indicated that these compounds were effective extractants of alkali and alkaline earth metal cations. Their selectivities were greatly influenced by the acidity of solution and the conformations of the calixcrown. One conformer was selective to $Na^+$ in pH ${\geq}$ 4, while the other was highly selective to $Ba^{2+}$ in pH 6 and upper.

케이폭의 구조 및 흡유 특성 (Structure and Oil Sorption Capacity of Kapok Fiber [Ceibapentandra (L.) Gaertn.])

  • 이영희;이정희;손수진;이동진;정영진;김한도
    • 한국염색가공학회지
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    • 제23권3호
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    • pp.210-218
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    • 2011
  • The structure of kapok fiber was characterized using FTIR and $^{13}C$-NMR spectrometers, elemental analyzer, x-ray diffractometer, SEM and IMT I-Solution ver 7.5. The kapok has a hollow tube shape and is composed of cellulose I with crystallinity of 47.95%. To develop novel oil-sorbent materials necessary to avoid the environmental pollution by spilled oil, the oil absorption capacity of various fibers such as kapok, polypropylene(PP), acryl, bamboo, cotton, rayon and wool fibers is compared in this study. The kapok fiber had the highest oil absorption capacity among the fibers and its water absorption capacity was the least. The kapok fiber selectively absorbed significant amounts of oils (43g/g of fiber for kerosene, 65g/g of fiber for soybean oil), which might be due to higher hydrophobicity of the kapok fiber, suggesting that kapok fiber may have high potential as excellent oil-absorbent materials.

Chemical Characterization of Neutral Extracts Prepared by Treating Pinus radiata Bark with Sodium Bicarbonate

  • MUN, Ji Sun;KIM, Hwan Chul;MUN, Sung Phil
    • Journal of the Korean Wood Science and Technology
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    • 제48권6호
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    • pp.878-887
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    • 2020
  • A neutral extract (NE), that is soluble in cold water and has excellent antioxidant activity, from Pinus radiata pine bark was prepared by sodium bicarbonate treatment, and its chemical characteristics were investigated. NE was prepared by treating P. radiata bark with 0.8% NaHCO3 aqueous solution with a 5 : 1 liquor-to-bark ratio at boiling temperature for 1 h, resulting in 44% yield and final pH of 6.66. The yield of NE was 11% higher than that of the hot water extract (HWE) due to the increase in the solubility of polyphenols, the main component in the bark, by NaHCO3 treatment. NE was characterized through FT-IR, NMR, and MALDI TOF MS analyses. The results indicated that NE is mostly composed of proanthocyanidins (PAs) consisting of procyanidin (PC) units. The acetylated neutral extract (Ac-NE) had weight average molecular weight (${\bar{M}}w$) of 5,300 Da. The Ac-NE had wide molecular weight distribution and its polydispersity (${\bar{M}}w/{\bar{M}}n$) was 6 times higher than that of pure PA. The antioxidant activity of NE was determined by 2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging assay and showed that NE had comparable antioxidant activity with pure PA.

Metoclopramide-Polyvinylpyrrolidone 공침물(共沈物)에 관(關)한 생물약제학적(生物藥劑學的) 연구(硏究) (Biopharmaceutical Studies on the Coprecipitate of Metoclopramide-Polyvinylpyrrolidone)

  • 용재익;유봉신
    • Journal of Pharmaceutical Investigation
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    • 제10권3호
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    • pp.33-45
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    • 1980
  • In order to increase the solubility of metoclopramide, various ratio coprecipitates with polyvinylpyrrolidone (M.W. 40,000) were prepared. The experiments of the solubility, physicochemical characteristics were quantitatively developed. The solubility increased as the ratio of rnetoclopramide to polyvinylpyrrolidone in metoclopramide-polyvinylpyrrolindone coprecipitate increased. In powder state, the dissolution rate of metoclopramide-polyvinylpyrrolidone coprecipitate was greater than that of metoclopramide and metoclopramide-polyvinylpyrrolidone physical mixture. Dissolution characteristics of non-disintegrating disk with constant surfacearea was in accord with Noyes-Nernst equation. The intrinsic dissolution rate, G, at $37^{\circ}C$ was $3.98{\times}10^{-7}M/cm^2{\cdot}min$ for metoclopramide, $2.26{\times}10^{-6}\;M/cm^2{\cdot}min$ for 1 : 5 metoclopramide-polyvinylpyrrolidone coprecipitate, respectively. Accordingly, activation energy of metoclopramide was 15,061cal/M, 9,178cal/M for 1 : 5 metoclopramide-polyvinylpyrrolidone coprecipitate and the activation energy decreased as the coprecipitate was formed. X-ray diffraction study revealed the fact that metoclopramide was crystalline, in contrast, there was no crystallinity evident in the 1 : 5 metoclopramide-polyvinylpyrrolidone coprecipitate. There was no difference between physical mixture and coprecipitate in TLC, UV and NMR studies. From the comparision between physical mixture and coprecipitate in IR spectrum, the interaction such as association between metoclopramide and polyvinylpyrrolidone was considered. But the association was easily dissociated in methanol solution.

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Backbone 1H, 15N, and 13C Resonance Assignment and Secondary Structure Prediction of HP1298 from Helicobacter pylori

  • Kim, Won-Je;Lim, Jong-Soo;Son, Woo-Sung;Ahn, Hee-Chul;Lee, Bong-Jin
    • 한국자기공명학회논문지
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    • 제12권2호
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    • pp.65-73
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    • 2008
  • HP1298 (Swiss-Prot ID ; P65108) is an 72-residue protein from Helicobacter pylori strain 26695. The function of HP1298 was identified as Translation initiation factor IF-l based on sequence homology, and HP1298 is included in IF-l family. Here, we report the sequence-specific backbone resonance assignments of HP1298. About 97% of all the $^{1}HN$, $^{15}N$, $^{13}C{\alpha}$, $^{13}C{\beta}$, and $^{13}CO$ resonances could be assigned unambiguously. We could predict the secondary structure of HP1298, by analyzing the deviation of the $^{13}C{\alpha}$ and $^{13}C{\beta}$ shemical shifts from their respective random coil values. Secondary structure prediction shows that HP1298 consists of six $\beta$-strands. This study is a prerequisite for determining the solution structure of HP1298 and investigating the structure-function relationship of HP1298. Assigned chemical shift can be used for the study on interaction between HP1298 and other Helicobacter pylori proteins.

The Solution Structure of 18 residue YH motif Peptide within the Second fas-1 domain of ${\beta}ig-h3$

  • Han, Kyung-Doo;Son, Woo-Sung;Kim, Won-Je;Lee, Bong-Jin
    • 한국자기공명학회논문지
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    • 제11권1호
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    • pp.24-29
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    • 2007
  • [ ${\beta}ig-h3$ ] is an extracellular matrix protein that mediates cell adhesion through interaction with integrins. The 18 residue YH motifs within each fas-1 domain are known to be responsible for the interaction with the ${\alpha}_v{\beta}_5$ integrin, and the synthetic YH motif peptides are known to inhibit endothelial tube formation and reduces the number of blood vessels, and so expected to be an effective inhibitor of angiogenesis. In this study, we solved the 3D structure of the 18 residue YH motif peptide (EALRDLLNNHILKSAMCA; D2 peptide) within the second fas-1 domain of ${\beta}ig-h3$ using NMR. The Peptide has ${\alpha}-helix$ structure at the C terminal region but the N terminal region is flexible. The present structural information may be helpful for developing more effective peptide drug candidate for the treatment of diseases dependent on angiogenesis.

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시멘트 수화지연제가 규산나트륨-시멘트 그라우트 초기강도에 미치는 영향에 관한 연구 (The Effect of Hydration Retarder on Initial Compressive Strength of Sodium Silicate-Cement Grouted Soil)

  • 천병식;유영남
    • 한국지반공학회:학술대회논문집
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    • 한국지반공학회 2005년도 지반공학 공동 학술발표회
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    • pp.453-460
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    • 2005
  • Sodium silicate - the usual portland cement which accomplishes a cement pouring reconsideration main stream and sodium silicate(No.3) after reacting sodium silicate(No.3) with the reaction sodium silicate where oxidation natrium which is included does not react with the cement receiving stiffening water it will burn together on underwater and to become the durability lacks pouring it is recognized. From the hazard which improves an advantage it used the additive which relates in congealing and stiffening of the portland cement and sodium tripolyphosphate(STPP) addition hour initial material age(72 hours at once) which does to be revealed the at high-in-tensity is discovered while accomplishing. The effect of additives on the reactions of sodium silicate solution and cement suspesion was investigated by various physical and chemical tests, such as Si-NMR, XRD, SEM uniaxial compression test. The additives were STPP(sodium tripolyphosphate), EDTA, SUGAR. The compressive strength of sodium silicate(No.3) - cement grout with additives was about $1.5{\sim}10$ times higher than that without additive in early age(72 hours).

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Poly[N-(formyloxyphenyl)maleimide] 고분자의 합성과 자외선에 대한 반응특성 (Synthesis and Photosensitive Properties of Poly[N-(formyloxyphenyl)maleimide] Containing Photosensitive Groups)

  • 김상민
    • 한국포장학회지
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    • 제10권1호
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    • pp.55-62
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    • 2004
  • Synthesis of poly[N-(formyloxyphenyl)maleimide](PFOMI) as photopolymer were investigated with various kinds of photosensitive groups. Generally, photopolyimide have some deficiencies in solubility, sensitivity, reserve stability of the photosensitive solution, and the precision of image pattern. The study has been required on those polymers which have high glass transition temperature and photo efficiency, and low dielectricity. The existing condensation resins require high curing temperature and perfect elimination of subreacted materials that are produced during the process after irradiation and various membrane damages such as the deformation and contraction in image pattern cure. In this study poly[N-(hydroxyphenyl)maleimide](PHPMI) was synthesized. The PHPMI were analyzed by H-NMR and FT-IR. The measured number average molecular weight of PHPMI was produced was $1.06{\times}10^4$. Poly[N-(formyloxyphenyl)maleimide](PFOMI) as a type of photo-Fries rearrangement was synthesized by NHPMI and formic acid followed by radical polymerization. PFOMI was analyzed by FT-IR, and photocharacteristics was investgated by UV spectra and FT-IR before and after UV irradiation. Based on the image characteristics of PFOMI measured from optical micrographs, it was formed that the resolution of positive type PFOMI was $0.5{\mu}m$.

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The Homeobox and Genetic Disease: Structure and Dynamics of Wild Type and Mutant Homeodomain Proteins

  • Ferretti, James A.
    • BMB Reports
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    • 제34권1호
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    • pp.1-7
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    • 2001
  • Structural and physical properties of type wild type and various selected mutants of the vnd/NK-2 homeodomain, the protein product of the homeobox, and the implication in genetic disease are reviewed. The structure, dynamics and thermodynamics have been Investigated by NMR and by calorimetry. The interactions responsible for the nucleotide sequence-specific binding of the homeodomain to its consensus DNA binding site have been identified. There is a strong correlation between significant structural alterations within the homeodomain or its DNA complex and the appearance of genetic disease. Mutations in positions known to be important in genetic disease have been examined carefully For example, mutation of position 52 of vnd/NK-2 results in a significant structural modification and mutation of position 54 alters the DNA binding specificity and amity The $^{15}N$ relaxation behavior and heteronuclear Overhauser effect data was used to characterize and describe the protein backbone dynamics. These studies were carried out on the wild type and the double mutant proteins both in the free and in the DNA bound states. Finally, the thermodynamic properties associated with DNA binding are described for the vnd/NK-2 homeodomain. These thermodynamic measurements reinforce the hypothesis that water structure around a protein and around DNA significantly contribute to the protein-DNA binding behavior. The results, taken together, demonstrate that structure and dynamic studies of proteins combined with thermodynamic measurements provide a significantly more complete picture of the solution behavior than the individual studies.

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