Due to the huge number of applications of polymer-noble metal nanocomposites, a simple synthetic route for the design of polypyrrole nanotubes in the presence of Pd nanoparticles (PPy-Pd) has been reported in this paper. In this method, we synthesized Pd nanoparticles using rosemary extract, as the reducing agent, then combined these with a reverse cylindrical micelle containing the pyrrole monomer and an aqueous FeCl 3 solution to produce the nanotube-shaped PPy-Pd composite. The synthesized nanotube PPy-Pd composite was studied using different characterization techniques, such as FTIR, XRD, SEM and TEM. The antibacterial activity of the synthesized nanocomposite was evaluated against clinical isolates of Gram-positive (Bacillus sp. and Staphylococcus aureus) and Gram-negative (Escherichia coli and Klebsiella sp.) bacteria. The Kirby-Bauer method for determination of the inhibition zone and a micro-plate dilution method for investigation of the Minimal Inhibitory Concentration (MIC) and Minimal Bactericidal Concentration (MBC) were accomplished. The obtained results exhibited that the antibacterial activity of the nanocomposite was improved compared with pure polypyrrole due to the existence of the Pd nanoparticles.
The cooperative effects between T-shape stacking and hydrogen bond interactions in X-ben\pyrÁÁÁH-F complexes were investigated in this work. The results indicate that the electron-withdrawing/donating substituents decrease/increase the magnitude of the binding energies compared to the unsubstituted X-ben\pyrÁÁÁH-F (X = H) complex. The cooperative effects have been studied while using the atoms in molecules (AIM) and natural bond orbital (NBO) methods, allowing us to evaluate the interplay between T-shape stacking and hydrogen bond interactions. There are good relationships among binding energies, Hammett constants, geometrical parameters, and the results of AIM and NBO analysis in X-ben\pyrÁÁÁH-F complexes.
The regularity shown by different fluids along the contour of the ideal compressibility factor Z = P V /(RT ) = 1 in the temperature-density plane is used to test the accuracy of different equations of state and derive temperature dependencies of their parameters. For a wide range of pure fluids, this contour, known as the Zeno line, has been empirically observed to be nearly linear. The precision of the van der Waals (vdW) equation in predicting the Zeno line has been evaluated and shown that this equation predicts a linear relation between temperature and density on the Z = 1 contour, qualitatively. However, the line shows significant deviations from the experimental Zeno line. Experimental PVT data for CO 2 is used to obtain the temperature dependencies of the vdW parameters. The vdW equation with such temperature dependencies does not show a straight line for the Z = 1 contour. This means that the equation is not able to predict the Zeno line, both qualitatively and quantitatively. Also, the accuracy of the modified vdW equations in predicting the Zeno line has been investigated. It is shown that none of these equations can predict the Zeno line qualitatively. However, the predicted line on the Z = 1 contour given by some of these equations is near the experimental Zeno line. Assuming that the Zeno line must hold, the temperature dependence of the non-ideal thermal pressure, A , of the linear isotherm regularity as A = a + bT + c/T has been derived. Such a temperature dependence was confirmed by experimental data. The derived expression for A was used to obtain the temperature dependence of the thermal pressure coefficient, which is in accordance with experimental data. Also, the temperature dependencies of the parameters of the dense system equation of state
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