Vibrational spectroscopic and thermal studies of some 3-phenylpropylamine complexes

Four new Hofmann–3-phenylpropylamine (3PPA) type complexes with chemical formulae M(3PPA)₂Ni(CN)₄ (M = Ni, Co, Cd, and Pd) have been prepared and their vibrational spectra are reported in the region of 4000–60 cm⁻¹. The vibrational bands arising from 3PPA ligand molecule, the polymeric sheet and metal–ligand bands of the compounds are assigned. The thermal behaviour of these complexes is also provided using the DTA and TGA along with the magnetic susceptibility data. The results indicate that the monodentate 3PPA ligand molecule bonds to the metal atom of |M–Ni(CN)₄|_∞ polymeric layers and hence the compounds are similar in structure to Hofmann-type complexes.     

Analytical stress analysis of partially plastic graded curved bars subjected to pure bending

An analytical model is developed to analyze stresses in functionally graded (FGM) curved bars under pure bending. Both elastic and partially plastic stress states are considered. The modulus of elasticity of the bar material is allowed to vary. While the model is outlined, important findings are mentioned. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Polyaniline/Maleic Acid Copolymers Composites: Synthesis and Characterization

Summary: Polyaniline/maleic acid copolymers composites were synthesized by chemical in situ polymerization of aniline using ammonium peroxidisulfate as oxidant, in the presence of water soluble copolymers containing carboxylic groups. Fine dispersions of composite materials, soluble in N,N-dimethylformamide or dimethyl sulfoxide were obtained which can be processed as thin films and membranes for application as proton-conductive materials for electrolyte membranes of fuel cells. The composites were characterized by FTIR spectroscopy and thermal methods.     

Transient heating of a rotating elastic-plastic solid shaft

Based on Tresca's yield criterion and the flow rule associated with it, the transient plasticization in a rotating elastic–plastic solid shaft with temperature dependent yield stress subject to a temperature cycle is studied. Special attention is paid to the residual stresses. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Experimental and numerical investigation of transition to turbulent flow and heat transfer inside a horizontal smooth rectangular duct under uniform bottom surface temperature

In this study, steady-state turbulent forced flow and heat transfer in a horizontal smooth rectangular duct both experimentally and numerically investigated. The study was carried out in the transition to turbulence region where Reynolds numbers range from 2,323 to 9,899. Flow is hydrodynamically and thermally developing (simultaneously developing flow) under uniform bottom surface temperature condition. A commercial CFD program Ansys Fluent 12.1 with different turbulent models was used to carry out the numerical study. Based on the present experimental data and three-dimensional numerical solutions, new engineering correlations were presented for the heat transfer and friction coefficients in the form of $ {\text{Nu}} = {\text{C}}_{2} {\text{Re}}^{{{\text{n}}_{ 1} }} $ and $ {\text{f}} = {\text{C}}_{3} {\text{Re}}^{{{\text{n}}_{3} }} $ , respectively. The results have shown that as the Reynolds number increases heat transfer coefficient increases but Darcy friction factor decreases. It is seen that there is a good agreement between the present experimental and numerical results. Examination of heat and mass transfer in rectangular cross-sectioned duct for different duct aspect ratio (α) was also carried out in this study. Average Nusselt number and average Darcy friction factor were expressed with graphics and correlations for different duct aspect ratios.     

Bioapplications of poly(amidoamine) (PAMAM) dendrimers in nanomedicine

Poly(amidoamine) (PAMAM) dendrimers are a novel class of spherical, well-designed branching polymers with interior cavities and abundant terminal groups on the surface which can form stable complexes with drugs, plasmid DNA, oligonucleotides, and antibodies. Amine‐terminated PAMAM dendrimers are able to solubilize different families of hydrophobic drugs, but the cationic charges on dendrimer surface may disturb the cell membrane. Therefore, surface modification by PEGylation, acetylation, glycosylation, and amino acid functionalization is a convenient strategy to neutralize the peripheral amine groups and improve dendrimer biocompatibility. Anticancer agents can be either encapsulated in or conjugated to dendrimer and be delivered to the tumor via enhanced permeability and retention (EPR) effect of the nanoparticle and/or with the help of a targeting moiety such as antibody, peptides, vitamins, and hormones. Biodegradability, non-toxicity, non-immunogenicity, and multifunctionality of PAMAM dendrimer are the key factors which facilitate steady increase of its application in drug delivery, gene transfection, tumor therapy, and diagnostics applications with precision and selectivity. This review deals with the major topics of PAMAM dendrimers including structure, synthesis, toxicity, surface modification, and also possible new applications of these spherical polymers in biomedical fields as dendrimer-based nanomedicine.     

Comparison of simulation methods for electronic structure calculations with experimental electron energy-loss spectra

The electronic structure of hexagonal GaN is studied using two simulation techniques in order to develop a method to interpret the fine-structure of an experimental nitrogen K-edge electron energy loss spectrum obtained using a scanning transmission electron microscope. The application of these simulation methods to the bulk spectrum is a necessary first step in developing a fundamental understanding of the effect of changes in the electronic structure on the properties of defects. It is found here that both of the techniques used, multiple scattering (MS) and density functional theory (DFT), produce excellent agreement with the experimental bulk spectrum. The MS method is limited in accuracy but efficient in time, while the DFT method is more accurate but time consuming. Through the combination of these methods, experimental energy loss spectra can be readily understood, and a means to unravel the complexities of the electronic structure can be determined.     

Cytotoxic effect,enzyme inhibition,and in silico studies of some novel N-substituted sulfonyl amides incorporating 1,3,4-oxadiazol structural motif

Molecular Diversity - The acetylcholinesterase and carbonic anhydrase inhibitors (AChEIs and hCAIs) remain key therapeutic agents for many bioactivities such as anti-Alzheimer and antiobesity...     

Experimental investigation of flow and heat transfer in rectangular cross-sectioned duct with baffles mounted on the bottom surface with different inclination angles

In this study, steady-state forced convection heat transfer and pressure drop characteristics in a horizontal rectangular cross-sectioned duct, baffles mounted on the bottom surface with different inclination angles were investigated experimentally in the Reynolds number range from 1 × 10³ to 1 × 10⁴. The study was performed under turbulent flow conditions. Effects of different baffle inclination angles on flow and heat transfer were studied. Results are also presented in terms of thermal enhancement factor. It is observed that increasing in baffle inclination angle enhances the heat transfer and causes an increase in pressure drop in the duct.     

Preparation and probe analysis of Langmuir–Blodgett films with metal-containing dendritic and cluster structures

We aim to reveal the influence of?pH values of the working solution on spatial arrangement of metal-containing inclusions in the monolayer coatings prepared by Langmuir?CBlodgett (LB) technology and transferred to solid substrates with consequent modification of surface electrical properties. Consequently, films with inclusions in the form of dendrites and cluster shapes have been obtained. Submicron and micron lead-containing formations in Langmuir?CBlodgett films have been characterized by using the atomic force microscopy, Kelvin probe microscopy, and scanning electron microscopy methods. The results show that increasing?pH value of the subphase has caused the significant changes in the shape and composition of the inclusions in Langmuir?CBlodgett films. The synthesized inclusions on the solid substrate surface resulted in formation of the regions with the local electric fields and, as consequence, to significant modification of the structure and electrical properties. The location and length of the regions with surface potential disturbance depend on the shape of inclusions, and consequently, on?pH value of the subphase used in LB technology.