• Title/Summary/Keyword: Specific Bond

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Role of cysteine at positions 67, 161 and 241 of a Bacillus sphaericus binary toxin BinB

  • Boonyos, Patcharaporn;Soonsanga, Sumarin;Boonserm, Panadda;Promdonkoy, Boonhiang
    • BMB Reports
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    • v.43 no.1
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    • pp.23-28
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    • 2010
  • Binary toxin consisting of BinA and BinB from Bacillus sphaericus is toxic to mosquito larvae. BinB is responsible for specific binding to the larval gut cell membrane while BinA is crucial for toxicity. To investigate functional role of cysteine in BinB, three cysteine residues at positions 67, 161, and 241 were replaced by alanine or serine. Mutations at these positions did not affect protein production and overall structure of BinB. These cysteine residues are not involved in disulfide bond formation between BinB molecules. Mosquito-larvicidal assays revealed that C67 and C161 are essential for toxicity, whereas C241 is not. Mutations at C67 and C161 resulted in weaker BinA-BinB interaction. The loss of toxicity may be due to the reduction of interactions between BinA and BinB or BinB and its receptor. C67 and C161 could also play a part during conformational changes or internalization of the binary toxin into the target cell.

P56 LCK Inhibitor Identification by Pharmacophore Modelling and Molecular Docking

  • Bharatham, Nagakumar;Bharatham, Kavitha;Lee, Keun-Woo
    • Bulletin of the Korean Chemical Society
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    • v.28 no.2
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    • pp.200-206
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    • 2007
  • Pharmacophore models for lymphocyte-specific protein tyrosine kinase (P56 LCK) were developed using CATALYST HypoGen with a training set comprising of 25 different P56 LCK inhibitors. The best quantitative pharmacophore hypothesis comprises of one hydrogen bond acceptor, one hydrogen bond donor, one hydrophobic aliphatic and one ring aromatic features with correlation coefficient of 0.941, root mean square deviation (RMSD) of 0.933 and cost difference (null cost-total cost) of 66.23. The pharmacophore model was validated by two methods and the validated model was further used to search databases for new compounds with good estimated LCK inhibitory activity. These compounds were evaluated for their binding properties at the active site by molecular docking studies using GOLD software. The compounds with good estimated activity and docking scores were evaluated for physiological properties based on Lipinski's rules. Finally 68 compounds satisfied all the properties required to be a successful inhibitor candidate.

Oxime Generation of Silk Fibers by Hydroxlammonium choride treatment

  • Bae, Do-Gyu
    • Journal of Sericultural and Entomological Science
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    • v.41 no.2
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    • pp.116-121
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    • 1999
  • This study was aimed to explain the essence of Hydroxylammonium hydrochloride(H.A.) effect on degummed silk fiber increasing the colour sites due to oxime generating reaction. H.A. in aqueous solution caues to increase the amount of [H+] and reduce pH values as the concentration of H.A. increases. The rate of [H+] absorption of silk fiker in acidic solution differs on the basic of solution pH and shows a specific uptake in each pH, the lower the pH of solution, the higher the amount [H+] absorption. The pH of solution after treating of silk fiber in H.A. and HCl, showed more remaining [H+] in H.A. solution due to [H+] releasing under the procedure of oxime production. Also it was revealed that in higher concentration of H.A. the reaction for oxime fixation in silk fiber carried out stonger and as a result the bigger gap with acid uptake curve appeared. FT-IR analysis of silk fiber treated with H.A. revealed the creating of intermolecular H-bond at the 2,981-2.930 cm-1, which was not appeared for nontraeted silk fibers and shows H-bond between N-OH group in oue chain and C=) group in another chain of silk protein. Colourimetry of dyed silk fiber after H.A. tratment showed that the silk fiber treated with the high concentration of H.A. compare to low concentration, absorbed more dyeing molecules and so Showed less percontage of Whiteness.

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A Study on the Surface Grinding Characteristic of Engineering Cramics (엔지니어링 세라믹스의 평면 연삭 가공 특성에 관한 연구)

  • Kang, J.H.;Heo, S.J.;Kim, W.L.
    • Transactions of the Korean Society of Automotive Engineers
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    • v.2 no.6
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    • pp.38-49
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    • 1994
  • In this study, grindability of some representative engineering ceramics are experimentally investigated using resin bond diamond wheel with conventional surface grinding machine, and proper grinding conditions which can be obtained from various experimental results are established also for mechanical components which are proper to domestic circumstances with high reliability. And through the results of experiment, it is confirmed that grinding energies of the ceramics, especially in the case of $Al_2O_3$, are lower than steel with same machining condition in the conventional grinding because of their fine-brittle fracture mode type removal process, though the ceramics are well-known to unmachinable materials. And moreover, the total pass numbers needed for spark-out process to be completed are depend on their mechanical properties because that grinding stiffness is different from each other. The grinding force, ginding power and ground surface roughness are also measured and compared. Furthermore, the experiments carried out in this study, some useful results are obtained with can guide to grind engineering ceramics with conventional surface grinding machine.

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Reaction Kinetics and Dependence of Energy Efficiency in the Dilute Trichloroethylene Removal by Non-thermal Plasma Process combined with Manganese Dioxide

  • Han, Sang-Bo;Oda, Tetsuji;Park, Jae-Youn;Koh, Hee-Seok;Park, Sang-Hyun;Lee, Hyun-Woo
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2005.07a
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    • pp.552-553
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    • 2005
  • In order to improve energy efficiency in the dilute trichloroethylene removal using the nonthermal plasma process, the barrier discharge treatment combined with manganese dioxide was experimentally studied. Reaction kinetics in this process was studied on the basis of final byproducts distribution. Decomposition efficiency was improved to about 99% at the specific energy 40J/L with passing through manganese dioxide. C=C $\pi$ bond cleavage in TCE gave DCAC (single bond, C-C) through oxidation reaction during the barrier discharge plasma treatment. Those DCAC were broken easily in the subsequent catalytic reaction due to the weak bonding energy about 3 ~ 4 eV compared with the double bonding energy in TCE molecules. Oxidation byproducts of DCAC and TCAA from TCE decomposition are generated from the barrier discharge plasma treatment and catalytic surface chemical reaction, respectively. Complete oxidation of TCE into $CO_X$ is required to about 400J/L.

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Dynamics of Hydrogen on Si (100)

  • Boland, John J.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2000.02a
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    • pp.25-25
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    • 2000
  • In this talk we discuss the dynamics of hydrogen on the Si(100)-2xl surface. At room temperature the sticking coefficient for molecular hydrogen on this surface is less than 10sup-12. However, hydrogen molecules desorbing from the surface do not have an excess of energy, suggesting at best a small barrier on the exit channel. These observations have led to speculation about the validity of detailed balance in this system. Here we show that this discrepancy can be explained by considering both the surface-molecule co-ordinate and that associated with the Si-Si dimer bond tiltangle. By preparing the surface dimers with a specific tiltangle we demonstrate that the barrier to adsorption is a function of this angle and that the sticking coefficient dramatically increase for certain angles. The adsorption-desopption dynamics can then be described in terms of a common potential energy hypersurface involving both of these co-ordinates. The implications of these observations are also discussed. The dynamics of adsorbed hydrogen atoms on the Si(100) surface is also described. Paired dangling bonds produced following recombinative hydrogen desorption are mobile at elevated temperatures. Pairs of dangling bonds are observed to dissociate, diffuse, and ultimately recombine. At sufficiently elevated temperatures dangling bond exchange reactions are observed. These data are analyzed in terms of an attractive zone and an effective binding interaction between dangling bonds. Insights that this provides into the nature of surface defects and the localized chemistry that occurs on this surface, are also discussed.

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Nucleophilic Substitution at a Carbonyl Carbon Atom (IX). Solvolysis of 2-Furoyl Chloride and 2-Thenoyl Chloride in Binary Mixtures (카르보닐탄소원자의 친핵성 치환반응 (제9보). 이성분 혼합용매에서 2-염화테노일 및 2-염화퓨로일의 가용매분해반응)

  • Son Jin-Eon;Sang-Kee Yoon;Ikchoon Lee
    • Journal of the Korean Chemical Society
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    • v.23 no.6
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    • pp.339-348
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    • 1979
  • The kinetics of the solvolysis of 2-furoyl chloride and 2-thenoyl chloride in $MeOH-H_2O,\;EtOH-H_2O,\;(Me)_2CO-H_2O,\;MeCN-H_2O$ and MeCN-MeOH has been investigated. The rates were faster in protic solvents than in aprotic solvents. This was caused by the bond breaking of leaving group through hydrogen-bonding solvation of protic solvents. In MeCN-M$\'{e}$OH the rate in MeOH rich solvents was faster than in MeCN rich solvents by the specific solvation of alcoholic hydrogen and there was a maximum rate of reaction at MeOH mole fraction of 0.8. The reaction rates of solvolysis were considerably slower than those of benzoyl chloride owing to the electron withdrawing effect of thienyl and furyl groups. It was concluded that solvolytic reaction proceeds via a dissociative $S_N2$ mechanism in which bond-breaking precedes bond-formation at the transition state.

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Rational Introduction of Disulfide Bond to Enhance Optimal Temperature of Lipomyces starkeyi $\alpha$-Dextranase Expressed in Pichia pastoris

  • Chen, Lin;Yu, Chao;Zhou, Xiangshan;Zhang, Yuanxing
    • Journal of Microbiology and Biotechnology
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    • v.19 no.12
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    • pp.1506-1513
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    • 2009
  • $\alpha$-Dextranase, which can hydrolyze dextran, is largely used in the sugar industry. However, a thermostable $\alpha$-dextranase is needed to alleviate the viscosity of syrups and clean blocked machines. Thus, to improve the optimal temperature of Lipomyces starkeyi $\alpha$-dextranase expressed by Pichia pastoris, the rational introduction of a de novo designed disulfide bond was investigated. Based on the known structure of Penicillium minioluteum dextranase, L. starkeyi $\alpha$-dextranase was constructed using homology modeling. Four amino acids residues were then selected for site-directed mutagenesis to cysteine. When compared with the wild-type dextranase, the mutant DexM2 (D279C/S289C) showed a more than $13^{\circ}C$ improvement on its optimal temperature. DexM2 and DexM12 (T245C/N248C, D279C/S289C) also showed a better thermal stability than the wild-type dextranase. After the introduction of two disulfide bonds, the specific activity of DexM12 was evaluated and found to be two times higher than that of the wild-type. Moreover, DexM12 also showed the highest $V_{max}$.

Transglutaminase-2 Is Involved in Expression of Osteoprotegerin in MG-63 Osteosarcoma Cells

  • Lee, Hye Ja;Lee, Chang Hoon
    • Biomolecules & Therapeutics
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    • v.21 no.3
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    • pp.204-209
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    • 2013
  • Osteoprotegerin (OPG) is a secreted glycoprotein and a member of the tumor necrosis factor receptor superfamily. It usually functions in bone remodeling, by inhibiting osteoclastogenesis through interaction with a receptor activator of the nuclear factor ${\kappa}B$ (RANKL). Transglutaminases-2 (Tgase-2) is a group of multifunctional enzymes that plays a role in cancer cell metastasis and bone formation. However, relationship between OPG and Tgase-2 is not studied. Therefore, we investigated the involvement of 12-O-Tetradecanoylphorbol 13-acetate in the expression of OPG in MG-63 osteosarcoma cells. Interleukin-$1{\beta}$ time-dependently induced OPG and Tgase-2 expression in cell lysates and media of the MG-63 cells by a Western blot. Additional 110 kda band was found in the media of MG-63 cells. 12-O-Tetradecanoylphorbol 13-acetate also induced OPG and Tgase-2 expression. However, an 110 kda band was not found in TPA-treated media of MG-63 cells. Cystamine, a Tgase-2 inhibitor, dose-dependently suppressed the expression of OPG in MG-63 cells. Gene silencing of Tgase-2 also significantly suppressed the expression of OPG in MG-63 cells. Next, we examined whether a band of 110 kda of OPG contains an isopeptide bond, an indication of Tgase-2 action, by monoclonal antibody specific for the isopeptide bond. However, we could not find the isopeptide bond at 110 kda but 77 kda, which is believed to be the band position of Tgase-2. This suggested that 110 kda is not the direct product of Tgase-2's action. All together, OPG and Tgase-2 is induced by IL-$1{\beta}$ or TPA in MG-63 cells and Tgase-2 is involved in OPG expression in MG-63 cells.

Study of Solvent Effects on the Ionization of tert-butyl Halide in MeOH-DMSO Mixtures (MeOH-DMSO 혼합용매중에서 tert-butyl halide의 이온화에 미치는 용매효과)

  • Yeol Sakong;Shi Choon Kim;Jin Sung Kim;Bon Su Lee
    • Journal of the Korean Chemical Society
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    • v.29 no.1
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    • pp.45-51
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    • 1985
  • Rate constants and activation parameters for the methanolysis of t-butyl halide (t-BuCl, t-BuBr, t-BuI) in various MeOH-DMSO mixtures were measured by conductometric method. Taft's solvatochromic parameters, such as polarity-polarizability(SPP's), ${\pi}^{\ast}$, hydrogen bond donor (HBD) acidity, ${\alpha}$, and hydrogen bond acceptor (HBA) basicity, ${\beta}$ of the solvents, were determined by the so called solvatochromic method using five indicators. The variation of methanolysis rate with the solvent composition was discussed on the basis of the activation parameters and the correlation of the rates with the solvatochromic parameters. It is concluded that the polarity-polarizability, HBD acidity and HBA basicity of the mixtures had an effect on the ionization of t-butyl halide cooperatively, also that the specific interaction between the leaving groups and the solvents, such as ion-dipole and hydrogen bond acceptor-donor interaction, is the most important factor of solvent effects on the stabilization of transition states.

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