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EN
Structural bioinformatics approaches applied to the alpha- and beta-glycosidases from the GH4 enzyme family reveal that, despite low sequence identity, these enzymes possess quite similar global structural characteristics reflecting a common reaction mechanism. Locally, there are a few distinctive structural characteristics of GH4 alpha- and beta-glycosidases, namely, surface cavities with different geometric characteristics and two regions with highly dissimilar structural organizations and distinct physicochemical properties in the alpha- and beta-glucosidases from Thermotoga maritima. We suggest that these structurally dissimilar regions may be involved in specific protein-protein interactions and this hypothesis is sustained by the predicted distinct functional partners of the investigated proteins. Also, we predict that alpha- and beta-glycosidases from the GH4 enzyme family interact with difenoconazole, a fungicide, but there are different features of these interactions especially concerning the identified structurally distinct regions of the investigated proteins.
EN
Hydrogels that possess the ability of gelling in response to changes in the local environment, such as pH or temperature, have been examined extensively recently. In this paper the properties of thermosensitive chitosan hydrogels prepared with the use of chitosan glutaminate and -glycerophosphate are presented. The sol/gel transition point was determined based on the rheological properties. The structure of gels was observed under the Scanning Electron Microscopy (SEM) and was investigated by thermogravimetric (TG) and differential themogravimetric (DTG) analy¬sis and infrared (IR) spectroscopy. The crystallinity of gel structure was determined by X-ray Diffraction analysis (XRD).
EN
Fluorine doped tin oxide (FTO) thin films were deposited onto glass substrate at different substrate temperatures by a simple and inexpensive method of air pressure chemical vapor deposition. The substrate temperature was kept constant at about 500°C as the optimum temperature, and air was used as both a carrier gas and the oxidizing agent. A very simple method of characterization were carried on to investigate the electrical and structural properties of the prepared thin films. The electrical parameters variations showed that these parameters vary with substrate temperature ranging from an insulator thin film to a highly conductive layer. X-ray diffraction also revealed the structure to be polycrystalline at higher temperatures compared to amorphous structure for lower temperatures.
EN
Structural and textural properties of nickel-molybdenum catalysts supported on four various type of zeolites of different chemical composition and porous structure have been studied by the methods of IR, XRD and the low-temperature sorption of nitrogen. The catalysts have been obtained by the two-stage impregnation of the supports with the solutions of nickel and molybdenum salts by the method of incipient wetness. The catalysts have been shown to preserve the structure characteristic of the appropriate zeolite supports.
Open Physics
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2009
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vol. 7
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issue 4
753-761
EN
Using First-principle calculations, we have studied the structural, electronic and elastic properties of M2TlC, with M = Ti, Zr and Hf. Geometrical optimization of the unit cell is in good agreement with the available experimental data. The effect of high pressures, up to 20 GPa, on the lattice constants shows that the contractions are higher along the c-axis than along the a axis. We have observed a quadratic dependence of the lattice parameters versus the applied pressure. The band structures show that all three materials are electrical conductors. The analysis of the site and momentum projected densities shows that bonding is due to M d-C p and M d-Tl p hybridizations. The M d-C p bonds are lower in energy and stiffer than M d-Tl p bonds. The elastic constants are calculated using the static finite strain technique. We derived the bulk and shear moduli, Young’s modulus and Poisson’s ratio for ideal polycrystalline M2TlC aggregates. We estimated the Debye temperature of M2TlC from the average sound velocity. This is the first quantitative theoretical prediction of the elastic properties of Ti2TlC, Zr2TlC, and Hf2TlC compounds that requires experimental confirmation.
EN
Organic films fabrication offers the possibility of producing electronic devices of low weight, mechanical flexibility and low cost. One suitable material for organic film fabrigation which is the subject of the great interest is pentacene, because it is characterized by the large carrier mobility (∼1 cm2/Vs). In this work, the growth of pentacene layers using pulse laser deposition (PLD) on different substrates (glass/ITO, Si) is described and various processing parameters are investigated. Two pulsed YAG:Nd3+ laser wavelengths were used for the ablation of the PLD target: the first harmonic at 1064 nm aGn:dNdth3+e second at 532 nm. The structure of the layers formed was examined using SEM and RHEED methods. The results were compared with results of optical spectroscopy studies. It will be shown that layers deposed using second harmonics have a higher quality than those for first harmonic. The other PLD parametersalso have a strong influence on the structure quality of layers.
EN
Structural, electronic and thermal properties of Zn1−x MgxS ternary alloys are studied by using the full potential-linearized augmented plane wave method (FP-LAPW) within the density functional theory (DFT). The Wu-Cohen generalized gradient approximation (WC-GGA) is used in this approach for the exchangecorrelation potential. Moreover, the modified Becke-Johnson approximation (mBJ) is adopted for band structure calculations. The dependence of the lattice constant, bulk modulus and band gap on the composition x showed that the first exhibits a small deviation from the Vegard’s law, whereas, a marginal deviation of the second from linear concentration dependence (LCD). The bowing of the fundamental gap versus composition predicted by our calculations agrees well with the available theoretical data. The microscopic origins of the gap bowing are explained by using the approach of Zunger and co-workers. Thermal effects on some macroscopic properties of Zn1−x MgxS alloys are also investigated using the quasi-harmonic Debye model, in which the phononic effects are considered. As, this is the first quantitative theoretical prediction of the thermal properties of Zn1−x MgxS alloys, no other calculated results and furthermore no experimental studies are available for comparison.
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2005
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vol. 52
|
issue 2
527-534
EN
The structural properties of photorespiratory serine:glyoxylate aminotransferases (SGAT, EC 2.6.1.45) from maize (Zea mays L.) and wheat (Triticum aestivum L.) leaves were examined. By means of molecular sieving on Zorbax SE-250 column and filtration through centrifugal filters it was shown that dimers of wheat enzyme (molecular mass of about 90 kDa) dissociate into component monomers (molecular mass of about 45 kDa) upon decrease in pH value (from 9.1 or 7.0 to 6.5). At pH 9.1 a 50-fold decrease of ionic strength elicited a similar effect. Under the same conditions homodimers of the maize enzyme (molecular mass similar to that of the wheat enzyme) remained stable. Immunoblot analysis with polyclonal antiserum against wheat seedling SGAT on leaf homogenates or highly purified preparations of both enzymes showed that the immunogenic portions of the wheat enzyme are divergent from those of the maize enzyme. The sequence of 136 amino acids of the maize enzyme and 78 amino acids of the wheat enzyme was established by tandem mass spectrometry with time of flight analyzer. The two enzymes likely share similarity in tertiary and quaternary structures as well as high level of hydrophobicity on their molecular surfaces. They likely differ in the mechanism of transport from the site of biosynthesis to peroxisomes as well as in some aspects of secondary structure.
EN
Creating innovative methods of treatment and regeneration of damaged tissues or organs is a key challenge of the twenty-first century. The aim of this study was to determine the possibility of producing and characterising the properties of self-organising chitosan hydrogels prepared with the use of chitosan lactate/chloride and disodium hydrogen phosphate dodecahydrate as a cross-linking agent. The structure and supramolecular architecture of the biomaterials were evaluated by Fourier-transform infrared spectroscopy and polarised optical microscopy. Biological studies assessed cytotoxicity by contact with a human colon adenocarcinoma cell line. The colourimetric resazurin assay showed that the obtained chitosan hydrogels are non-cytotoxic materials. Thus, self-organising biomaterials hold great promise for application in tissue engineering.
EN
In this study, we have investigated the structural, electronic, and elastic properties of the M₂CdC (M = Ta, Zr, and Hf) MAX phases, using the first-principle methods based on the density functional theory. The calculated formation energies revealed that these compounds are thermodynamically stable in the hexagonal MAX phase. The stability is confirmed by the elastic constants and the conditions of mechanical stability criterion. Also, we have determined the bulk and shear modules of the Young modulus and the Poisson coefficient. The band structures indicate that the three materials are electrically conductive. The chemical bond in M₂CdC is covalent-ionic in nature with the presence of metallic character. For the density of states the hybridization peak between M d and C p occurs in the lower energy range. We have found that there is no gap for these materials due to the existence of a maximum peak of DOS around Fermi level.
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