Synthesis and In Vitro Cytotoxicity of Novel Halogenated Dihydropyrano[3,2-b]Chromene Derivatives

Lung and breast cancers are among the most common cancers. In the present work, initially, 6-bromo-; and 6-chloro-3-hydroxychromone compounds were prepared. In the next step, a series of 8-bromo-; and 8-chloro-dihyropyrano[3,2-b]chromene derivatives were synthesized by one-pot three component reaction of these two compounds, aromatic aldehydes, and ethyl cyanoacetate in the presence of triethylamine in EtOH at reflux conditions. The synthesized compounds were tested for their in vitro cytotoxic activity against A549 (lung cancer) and MCF-7 (breast cancer) cell lines. It was found that some compounds have high to moderate cytotoxicity, which makes them potential candidates for further studies. This study can be the basis for further studies to design and synthesis potent anticancer compounds and investigating their mechanism of action

Highly Selective Detection of Titanium (III) in Industrial Waste Water Samples Using Meso-octamethylcalix[4]pyrrole-Doped PVC Membrane Ion-Selective Electrode

A novel Ti3+ selective membrane electrode based on meso-octamethylcalix[4]pyrrole (OMCP) as an ionophore was successfully fabricated. The developed sensor revealed high selectivity towards Ti3+ ion over alkali, alkaline earth and transition metal cations. Among all of the membranes examined, the membrane with a composition of 4:33:62.8:0.2 mg of I:PVC:DOP:NaTFPB showed the best Nernstian slope of 29.49 � 0.16 (mV per decade of activity) over the pH range from 1 to 3 with a satisfactory concentration range of 1.0 �10�6 M to 1.0 �10�2 M and detection limit of 8.0 �10�7 M. The effects of various parameters such as composition of the membrane, different cation interferences and concentration of internal solution were investigated. The developed sensor exhibited a good reproducibility over a useful life time of about 3 months with a fast response time of 25 seconds. It demonstrated good analytical performance for accurate determination of Ti3+ trace amount in the presence of considerable concentration of common interfering ions. The fabricated sensor was used successfully as an indicator electrode for potentiometric titration of a titanium solution with EDTA and moreover it applied for direct determination of Ti3+ content of industrial waste water samples. The obtained results from optimized membranes were evaluated by comparing them with the data received from instrumental methods such as UV–Vis, AAS, ICP and SEM. By using density functional theory (DFT) calculations, several special adsorption sites of TiOH2+ close to OMCP are fully optimized and the best one selected. Furthermore, NBO and QTAIM analysis carried out to study the bonding strength in formed complex and deep understanding of the nature of interaction between TiOH2+ and OMC

Synthesis of CdO Nanoparticles Using Direct Chemical Precipitation Method; Fabrication of Novel Voltammetric Sensor for Square Wave Voltammetry Determination of Chlorpromazine in Pharmaceutical Samples

A chemically modified electrode was constructed and applied to the electrooxidation of the chlorpromazine (CPZ). The oxidation peak potential of the CPZ at a surface of CdO/NPs ionic liquid carbon paste electrode (CdO/NPs/IL/CPE) appeared at 695 mV. The CdO nanoparticle (CdO/NPs) was characterized with different methods such as transmission electron microscope (TEM) and x-ray diffraction (XRD). Under optimized (pH 7.0), linear calibration curves were obtained in the range of 0.1–350 μM for CPZ, which shows adequate for the quantification in real samples. The proposed method was successfully applied to the determination of CPZ in both pharmaceutical and urine samples. Keywords Chlorpromazine, CdO nanoparticles, Ionic liquids, Modified electrode, Chemical precipitation metho

Synthesis, spectroscopic studies, DFT calculations, electrochemical evaluation, BSA binding and molecular docking of an aroylhydrazone -based cis -dioxido Mo(VI) complex

A cis-dioxido Mo(VI) complex, [MoO2(L)(MeOH)], [L2-: (3-methoxy-2-oxidobenzylidene) benzohydrazonate], has been synthesized and characterized using physicochemical and spectroscopic techniques including elemental analysis, FT-IR, 1HNMR, UV–Vis spectroscopy, molar conductivity and single crystal X-ray diffraction. DFT calculations in the ground state of the complex were carried out using hybrid functional B3LYP with DGDZVP as basis set. Non-linear optical properties including electric dipole moment (μ), polarizability (α) and molecular first hyperpolarizability (β) of the compound were also computed. The values of linear polarizability and first hyperpolarizability obtained for the studied molecule indicated that the compound could be a good candidate of nonlinear optical materials. TD-DFT calculation and molecular electrostatic potential (MEP) were also performed. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the complex at different temperatures have been calculated. The interaction of a synthesized complex, with bovine serum albumin was also thoroughly investigated using experimental and theoretical studies. UV–Vis absorption and fluorescence quenching techniques were used to determine the binding parameters as well as the mechanism of the interaction. The values of binding constants were in the range of 104-105 M−1 demonstrating a moderate interaction between the synthesized complex and BSA making the protein suitable for transportation and delivery of the compound. Thermodynamic parameters were also indicating a binding through van der Waals force or hydrogen bond of [MoO2(L)(MeOH)] to BSA. The results obtained from docking studies were consistent to those obtained from experimental studies

Design, Synthesis, and Biological Activity of New Triazole and Nitro-Triazole Derivatives as Antifungal Agents

In this study two series of fluconazole derivatives bearing nitrotriazole (series A) or piperazine ethanol (series B) side chain were designed and synthesized and then docked in the active site of lanosterol 14α-demethylase enzyme (1EA1) using the Autodock 4.2 program (The scripps research institute, La Jolla, CA, USA). The structures of synthesized compound were confirmed by various methods including elemental and spectral (NMR, CHN, and Mass) analyses. Then antifungal activities of the synthesized compound were tested against several natural and clinical strains of fungi using a broth microdilution assay against several standard and clinical fungi. Nitrotriazole derivatives showed excellent and desirable antifungal activity against most of the tested fungi. Among the synthesized compounds, 5a–d and 5g, possessing nitrotriazole moiety, showed maximum antifungal activity, in particular against several fluconazole-resistant fungi