Synthesis,characterization, AC conductivity,and diode properties of polyaniline–CaTiO3 composites

Polyaniline–CaTiO₃ composites of different weight percentages were prepared by in situ polymerization. The prepared composites were characterized by Fourier transform infrared spectroscopy for structural studies, and a morphology analysis was carried out by scanning electron microscopy studies. Real and imaginary parts of the complex impedance were determined for given samples as a function of frequency. Current–voltage and capacitance–voltage measurements were also carried out. The carrier mobility μ values of neat polyaniline and polyaniline–CaTiO₃ composites were found to be 5.37 × 10^?3 and 2.73 × 10^?2, respectively, and a significant enhancement, as compared with the reported data, was observed. Therefore, this study may provide a better route for technological applications in all fields in the near future and can also be represented by a pure electronic model. Copyright © 2013 John Wiley & Sons, Ltd.     

An Efficient and Convenient Synthesis of Imidazolines and Benzimidazoles via Oxidation of Carbon‐Nitrogen Bond in Water Media

The metal coordination complex K₄[Fe(CN)₆] is an efficient and environmentally benign catalyst for the synthesis of imidazolines and benzimidazoles from various aldehydes and 1,2‐diamines in aqueous medium at room temperature. This protocol gives excellent yield of product with desired purity.     

Novel Pyrimidine‐based Ferrocenyl substituted Organometallic Compounds: Synthesis,Characterization and Biological Evaluation

Some novel pyrimidine‐based ferrocenyl substituted organometallic compounds were synthesized via multistep reactions, well characterized by different spectroscopic techniques and elemental analyses and evaluated for in vitro antiprotozoal susceptibility against HM1: IMSS strain of Entamoeba histolytica. The results of antiprotozoal susceptibility unveiled these compounds, as new leads in protozoal chemotherapy as most of the organometallics displayed an exceptionally higher antiamoebic activity (IC₅₀ = 0.055 μM ‐ 0.815 μM) than the reference drug metronidazole which gave IC₅₀ (50% inhibitory concentration) value 1.781 μM in our experiments, concluding that newly synthesized organometallic compounds have potential to be employed as effective antiamoebic agents and these organometallics can be very useful for further optimization work on amoebic chemotherapy.     

Hydrotropic Behavior of Sodium Salicylate in Presence of Additives

It is well known that, like surfactants aggregating at a certain concentration (called critical micelle concentration, CMC), hydrotropes also have minimum hydrotrope concentration (MHC). However, unlike surfactant CMC, this MHC value is usually very high, thereby reducing their application. In this paper we report the results of conductivity and viscosity measurements with a well known hydrotrope sodium salicylate (NaSal) solutions in presence and absence of additives (propanol, PrOH; butanol, BuOH; pentanol, PeOH and tetrabutylammonium bromide, Bu₄NBr). We have found that MHC value of NaSal decreases in presence of additives. Alcohols increase the hydrophobic interactions and decrease the MHC while Bu₄NBr, in addition to ameliorating the hydrophobic interactions, reduces the charge on head groups and MHC decreases more steeply in its presence. Increased solubility of riboflavin in NaSal containing the above additives corroborates the results.     

Interaction of Carrier Protein with Potential Metallic Drug Candidate N-Glycoside ‘GATPT’: Validation by Multi-Spectroscopic and Molecular Docking Approaches

Lysozyme is often used as a model protein to study interaction with drug molecules and to understand biological processes which help in illuminating the therapeutic effectiveness of the drug. In the present work, in vitro interaction studies of 1-{(2-hydroxyethyl)amino}-2-amino-1,2-dideoxy-d-glucose triphenyl tin (IV) (GATPT) complex with lysozyme were carried out by employing various biophysical methods such as absorption, fluorescence, and circular dichroism (CD) spectroscopies. The experimental results revealed efficient binding affinity of GATPT with lysozyme with intrinsic binding (K_b) and binding constant (K) values in the order of 10⁵ M⁻¹. The number of binding sites and thermodynamic parameters ΔG, ΔH, and ΔS at four different temperatures were also calculated and the interaction of GATPT with lysozyme was found to be enthalpy and entropy driven. The CD spectra revealed alterations in the population of α–helical content within the secondary structure of lysozyme in presence of GATPT complex. The morphological analysis of the complex with lysozyme and lysozyme-DNA condensates was carried out by employing confocal and SEM studies. Furthermore, the molecular docking studies confirmed the interaction of GATPT within the larger hydrophobic pocket of the lysozyme via several non-covalent interactions.     

Blue shifts of the C-H stretching vibrations in hydrogen-bonded and protonated trimethylamine. Effect of hyperconjugation on bond properties

The optimized geometry of isolated trimethylamine (TMA), its hydrogen bond complexes with phenol derivatives and protonated TMA is calculated at the B3LYP/6-31++G(d,p) level. A natural bond orbital (NBO) analysis on these systems is carried out at the same level of theory. In isolated TMA, one of the C-H bond in each of the three CH(3) groups is more elongated than the two other ones. As revealed by the NBO data, this results from a hyperconjugative interaction from the N lone pair to the sigma*(C-H) orbitals of the C-H bonds being in a transoid position with respect to the N lone pair. The formation of an intermolecular OH...N hydrogen bond with phenols results in a decrease of the lone pair effect. A linear correlation is found between the decrease in occupation of the sigma*(C-H) orbitals and the decrease in the hyperconjugative interaction energy in the complexes and isolated TMA. Complex formation with phenols results in a blue shift of 55-74 cm(-1) of the C-H stretching vibrations involved in the lone pair effect. Smaller blue shifts between 14 and 23 cm(-1) are predicted for the other C-H bonds. In these complexes, a linear correlation is found between the frequency shifts and the elongation of the C-H bonds. Protonation of TMA results in a nearly equalization of all the C-H distances and a blue shift of 180 cm(-1) of the C-H bonds involved in hyperconjugation with the N lone pair.     

Antimicrobial activity of aniline‐formaldehyde resin modified by adding piperazine moiety and its metal polychelates

Aniline‐formaldehyde resin modified by adding piperazine (AFP) was prepared in alkaline medium, and its metal polychelates have also been prepared with Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) metal ions. The synthesized compounds were characterized by elemental, spectral (UV–Vis, IR, ¹H‐NMR and ¹³C‐NMR), thermogravimetric analysis (TGA), and magnetic moment measurements. The percentage of metal in all of the polychelates was found to be consistent with 1:1 (metal/resin) stoichiometry. The thermal behaviors of these coordination polymers were studied by TGA in a nitrogen atmosphere up to 750°C. The TGA results revealed that all the metal polychelates had higher thermal‐resistance property compared to the common resin (AFP). The magnetic moment measurements and UV–Vis spectra confirmed the geometry of the central metal ion in all the polychelates. All the synthesized metal polychelates showed excellent antibacterial activities against the selected bacteria. The antibacterial activities were determined using the shaking flask method, where 25 mg/ml concentrations of each compound were tested against 10⁵ CFU/ml bacteria solutions. The number of viable bacteria was calculated by using the spread plate method, where 100 µl of the incubated antibacterial agent in bacteria solutions was spread on agar plates, and the number of bacteria was counted after 24 hr of incubation period at 37°C. Copyright © 2008 John Wiley & Sons, Ltd.     

Chaos control and synchronization of fractional order delay‐varying computer virus propagation model

In the present article, the authors have studied the dynamical behavior of delay‐varying computer virus propagation (CVP) model with fractional order derivative, and it is found that the chaotic attractor exists in the considered fractional order system. In order to eliminate the chaotic behavior of fractional order delay‐varying CVP model, feedback controlmethod is used. This article also dealswith the synchronization between controlled and chaotic delay‐varying CVPmodel via active controlmethod. The fractional derivative is described in the Caputo sense. Numerical simulation results are carried out by means of Adams‐Boshforth‐Moultonmethod with the help ofMATLAB, and the results are successfully depicted through graphs .Copyright © 2015 John Wiley & Sons, Ltd.     

Application of MoS2 modified screen-printed electrodes for highly sensitive detection of bovine serum albumin

The present work reports the application of a new molybdenum disulphide (MoS₂)-based electrochemical platform for highly sensitive quantitation of an iron-binding protein, bovine serum albumin (BSA). The gold screen-printed electrodes were modified with MoS₂ nanoflakes, followed by bioconjugation with anti-BSA antibodies. Using the above bioelectrode, cyclic voltammetric analysis was carried out in the presence of a Fe³⁺/Fe²⁺ redox probe which exhibited a linear response of peak current with varying concentrations of BSA up to 10 ng/mL (with a detection limit of 0.006 ng/mL). This study is novel in that it shows a considerable enhancement of signal during electrochemical sensing of a protein.