Synthesis,characterization, optimum reaction conditions,and some polymer–metal complexes of poly(phenoxy-imine)s containing furan ring

In this study, Schiff bases containing azomethine (–HC=N–) compounds were synthesized from the condensation reaction of 4-aminophenol and 2-aminophenol and 5-methyl-2-furaldehyde. Orange-colored Schiff bases, 4-[(5-methyl- 2-furyl) methyleneamino] phenol (4MFMAP) and 2-[(5-methyl-2-furyl) methyleneamino] phenol (2MFMAP) turned to poly-4-[(5-methyl-2-furyl) methyleneamino] phenol (P-4MFMAP) and poly-2-[(5-methyl-2-furyl) methyleneamino] phenol (P-2MFMAP) polyazomethine derivatives by NaOCl oxidant in alkaline aqueous medium. In addition, poly-2-[(5-methyl-2-furyl) methyleneamino] phenol cobalt (II) and copper (II) complexes were synthesized. FTIR and NMR measurements for structural analysis of the synthesized compounds, UV–Vis analysis for optical properties, electrical conductivity measurements, and thermal analysis with the TG–DTA techniques were determined. The yield of P-4MFMAP and P-2MFMAP was found to be 84.6% and 78.6 as follows [4MFMAP] = 0.066, [KOH] = 0.198 [NaOCl] = 0.066 mol L^?1 at 60 °C for 3 h and [2MFMAP] = 0.066, [KOH] = 0.132 [NaOCl] = 0.066 mol L^?1 at 70 °C for 3 h, respectively.     

Compressed images for affinity prediction (CIFAP): a study on predicting binding affinities for checkpoint kinase 1 protein inhibitors

Analyses of known protein–ligand interactions play an important role in designing novel and efficient drugs, contributing to drug discovery and development. Recently, machine learning methods have proven useful in the design of novel drugs, which utilize intelligent techniques to predict the outcome of unknown protein–ligand interactions by learning from the physical and geometrical properties of known protein–ligand interactions. The aim of this study is to work through a specific example of a novel computational method, namely compressed images for affinity prediction (CIFAP), in which binding affinities for structurally related ligands in complexes with human checkpoint kinase 1 (CHK1) are predicted. The CIFAP algorithm presented here relates published pIC ₅₀ values of 57 compounds, derived from a thienopyridine pharmacophore, in complexes with CHK1 to their two‐dimensional (2D) electrostatic potential images compressed in orthogonal dimensions. Patterns obtained from the 2D images are then used as inputs in regression and learning algorithms such as support vector regression (SVR) and adaptive neuro‐fuzzy inference system (ANFIS) methods to validate the experimental pIC ₅₀ values. This study revealed that the 2D image pixels in the vicinity of bound ligand surfaces provide more relevant information to make correlations with the empirical pIC ₅₀ values. As compared with ANFIS, SVR gave rise to the lowest root mean square errors and the greatest correlations, suggesting that SVR could be a plausible choice of machine learning methods in predicting binding affinities by CIFAP. Copyright © 2013 John Wiley & Sons, Ltd.     

Synthesis and pharmacological activity of diterpenylnaphthoquinone derivatives

New diterpenylquinones, combining a diterpene diacid and a naphthoquinone, were prepared from junicedric acid and lapachol. The new derivatives were assessed as gastroprotective agents by the HCl-EtOH-induced gastric lesions model in mice as well as for basal cytotoxicity on the following human cell lines: Normal lung fibroblasts (MRC-5), gastric epithelial adenocarcinoma (AGS), and hepatocellular carcinoma (Hep G2). Several of the new compounds were significantly active as antiulcer agents and showed selective cytotoxicity against AGS cells.     

Dendrimer modified graphite sensors for detection of anticancer drug Daunorubicin by voltammetry and electrochemical impedance spectroscopy

The development of amino-terminated G4 PAMAM dendrimer (PDR) modified disposable electrodes were developed as the first time in our study by using the dendrimer modified disposable graphite (PDR-PGE) and multiwalled carbon nanotube based screen-printed graphite (PDR-MWCNT-SPE) electrodes. Firstly, the microscopic characterization of bare PGEs and PDR modified PGEs was performed. These sensors were then applied for electrochemical monitoring of an anticancer drug, Daunorubicin (DNR). The enhanced oxidation signal of DNR was measured at +0.50 V by using differential pulse voltammetry (DPV) in combination with the PDR-PGEs. The detection limit, estimated from S/N = 3, corresponds accordingly to 317 nM and 128 nM for DNR respectively at the PGE and PDR-PGE. The voltammetric results were consistent with electrochemical impedance spectroscopy (EIS) that was used to characterize the successful modification of PDR onto the surface of PGE and MWCNT-SPE.     

Electron immigration from shallow traps to deep traps by tunnel mechanism on Seydi?ehir aluminas

In this study, the fading mechanism of Seydi?ehir alumina in Turkey, which is considered to be used for radiation dosimetric purposes, was investigated. The materials were first exposed to beta radiation and then stored in dark and dry ambient conditions at room temperature (RT) at previously desired storage periods. It was observed that the glow curve of Seydi?ehir alumina consists of four glow peaks between RT and 400 °C. The glow peaks (peaks 1, 2 and 3) between room temperature and 250 °C possessed very high levels of anomalous fading. However, the intensity of new glow peak at around 378 °C is highly increased with time. As a result of the experimental studies, it was concluded that the reason behind anomalous fading can be explained by means of tunneling (quantum tunneling) mechanism.     

Investigation of the magnetic field angle dependence of resistance, irreversibility field, upper critical field and critical current density in DC sputtered Bi-2223 thin film

We measured resistivity and transport critical current density, J_c, as a function of DC magnetic field and the angle (?) between the surface of the film and the magnetic field on ex-situ annealed, c-axis oriented Bi-2223 thin films fabricated by DC sputtering method. Irreversibility field (μ₀H_irr) and upper critical field (μ₀H_c2) were determined from the resistivity versus the applied magnetic field graph. It is observed that critical temperature (T_c), μ₀H_irr,μ₀H_c2 and J_c of the films strongly depend on the direction and strength of the field. While T_c of the film without magnetic field is observed to be about 102 K, it is found to decrease to 90 K (85 K) for the applied field perpendicular (parallel) to c-axis of the film. Not only were μ₀H_irr(0) and μ₀H_c2(0) values determined from the μ₀H_irr and μ₀H_c2 versus temperature graphs, respectively, but also penetration depths and coherence lengths were interpreted. Anisotropy of the film was also discussed by means of the change of irreversibility as a function of angle. Moreover at 4.2 K, J_c was observed to be 3000 A/cm² at zero field; however, it was found to abruptly decrease to 1982 (1 1 2 0) A/cm² under low magnetic field at ?=0° (?=90°), which indicates that anisotropic J_c behavior of the film is intrinsic. Furthermore, we provided a theoretical analysis of the obtained results in the framework of intrinsic pinning theory of superconductors. Microstructural properties of the produced films were also reinvestigated by X-ray diffractometer (XRD) and scanning electron microscopy (SEM) measurements. XRD patterns indicate that the films are c-axis oriented based on the prominent (0 0 l) peaks. SEM images show needle-like grain structures dominate the surface morphology of the films.     

Electrochemical behaviour of carbon paste electrodes enriched with tin oxide nanoparticles using voltammetry and electrochemical impedance spectroscopy

The effect of the SnO(2) nanoparticles (SNPs) on the behaviour of voltammetric carbon paste electrodes were studied for possible use of this material in biosensor development. The electrochemical behaviour of SNP modified carbon paste electrodes (CPE) was first investigated by using cyclic voltammetry (CV), differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy (EIS) techniques. The performance of the SNP modified electrodes were compared to those of unmodified ones and the parameters affecting the response of the modified electrode were optimized. The SNP modified electrodes were then tested for the electrochemical sensing of DNA purine base adenine to explore their further development in biosensor applications.     

Enzyme-linked electrochemical detection of DNA fragments amplified by PCR in the presence of a biotinylated deoxynucleoside triphosphate using disposable pencil graphite electrodes

Monatshefte für Chemie - Chemical Monthly - In this report, we present a simple electrochemical detection protocol for the detection of specific PCR-amplified DNA fragments, based on...