Optimization of Pb(II) biosorption by Robinia tree leaves using statistical design of experiments

The present study introduces Robinia tree leaves as a novel and efficient biosorbent for removing Pb(II) from aqueous solutions. In order to reduce the large number of experiments and find the highest removal efficiency of Pb(II), a set of full 2(3) factorial design with two blocks were performed in duplicate (16 experiments). In all experiments, the contact time was fixed at 25 min. The main interaction effects of the three factors including sorbent mass, pH and initial concentration of metal-ion were considered. By using Student's t-test and analysis of variances (ANOVA), the main factors, which had the highest effect on the removal process, were identified. Twenty-six experiments were designed according to Doehlert response surface design to obtain a mathematical model describing functional relationship between response and main independent variables. The most suitable regression model, that fitted the experimental data extremely well, was chosen according to the lack-of-fit-test and adjusted R(2) value. Finally, after checking for possible outliers, the optimum conditions for maximum removal of Pb(II) from aqueous solution were obtained. The best conditions were calculated to be as: initial concentration of Pb(II)=40 mg L(-1), pH 4.6 and concentration of sorbet equal to 27.3 g L(-1).     

Characterization of hydrocortisone biometabolites and 18S rRNA gene in Chlamydomonas reinhardtii cultures

A unicellular microalga, Chlamydomonas reinhardtii, was isolated from rice paddy-field soil and water samples and used in the biotransformation of hydrocortisone (1). This strain has not been previously tested for steroid bioconversion. Fermentation was carried out in BG-11 medium supplemented with 0.05% substrate at 25 degrees C for 14 days of incubation. The products obtained were chromatographically purified and characterized using spectroscopic methods. 11b,17 beta-Dihydroxyandrost-4-en-3-one (2), 11 beta-hydroxyandrost-4-en-3,17-dione (3), 11 beta,17 alpha,20 beta,21-tetrahydroxypregn-4-en-3-one (4) and prednisolone (5) were the main products of the bioconversion. The observed bioreaction features were the side chain degradation of the substrate to give compounds 2 and 3 and the 20-ketone reduction and 1,2-dehydrogenation affording compounds 4 and 5, respectively. A time course study showed the accumulation of product 2 from the second day of the fermentation and of compounds 3, 4 and 5 from the third day. All the metabolites reached their maximum concentration in seven days. Microalgal 18S rRNA gene was also amplified by PCR. PCR products were sequenced to confirm their authenticity as 18S rRNA gene of microalgae. The result of PCR blasted with other sequenced microalgae in NCBI showed 100% homology to the 18S small subunit rRNA of two Chlamydomonas reinhardtii spp.     

Method of calculating local dispersion in arbitrary photonic crystal waveguides

We introduce a novel method to calculate the local dispersion relation in photonic crystal waveguides, based on the finite-difference time-domain simulation and filter diagonalization method (FDM). In comparison with the spatial Fourier transform method (SFT), the highly local dispersion calculations based on FDM are considerably superior and pronounced. For the first time to our knowledge, the presented numerical technique allows comparing the dispersion in straight and bent waveguides.     

Synthesis,Characterization and Molecular Structure of a New Tetrameric Palladium(II) Complex Containing Schiff‐Bases Derived from AMTTO (AMTTO = 4‐amino‐6‐methyl‐1,2,4‐triazine‐thione‐5‐one)

The reactions of AMTTO = 4‐amino‐6‐methyl‐1,2,4‐triazine‐thione‐5‐one (AMTTO, 1 ) with 2‐hydroxybenzaldehyde (salicylaldehyde) and 4‐hydroxybenzaldehyde in methanol under reflux conditions led to the corresponding Schiff‐bases ( H₂L1 and H₂L2 ). The reaction of H₂L1 with palladium acetate in ethanol and additional recrystallization from toluene gave the tetrameric complex [Pd(L)]₄·2C₇H₈ ( 2 ). All compounds were characterized by infrared spectroscopy, elemental analyses as well as by X‐ray diffraction studies. Crystal data for H₂L1 at ?80 °C: space group P2₁/c with a = 1285.4(1), b = 707.7(1), c = 1348.2(1) pm, β = 109.32(1)°, Z = 4, R₁ = 0.0328, H₂L2 at ?80 °C: space group P4₃2₁2 with a = 762.5(1), b = 762.5(1), c = 4038.9(2) pm, Z = 8, R₁ = 0.025 and for 2 at ?103 °C: space group C2/c with a = 2862.5(6), b = 2847.6(6), c = 1727.8(4) pm, β = 105.18(3)°, Z = 8, R₁ = 0.0704.     

A novel one‐pot procedure for preparation of some new condensed pyrido[2,3‐d]pyrimidine(1H,3H)‐2,4‐diones

A novel one‐pot procedure for preparation of some new condensed pyrido[2,3‐d]pyrimidine(1H,3H)‐2,4‐diones based on condensation of ninhydrin, alkyl cyanoacetate, and 6‐aminouracil derivatives has been reported. The reactions were carried out in refluxed ethanol and were completed in less than 2 h. © 2007 Wiley Periodicals, Inc. Heteroatom Chem 18:16–18, 2007; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20242     

Theoretical calculation and prediction for experimental design to obtain spin crossover complexes

DFT methods were utilized to study SCO complexes. [Fe(2btz)₂(NCX)₂] (2btz = 2,2′‐bithiazoline, X = S ( 1 ) and Se ( 2 )), [Fe(phen)₂(NCX)₂] (phen = 1,10‐phenantroline, X = S ( 3 ) and Se ( 4 )), and [Fe(bpy)₂(NCS)₂] ( 5 ) (bpy = 2,2′‐bipyridine) compounds, which have experimentally shown SCO behavior, were calculated. B3LYP, B3LYP*, OPBE, and OLYP with 6‐31G* and 6‐311 + G** basis sets were employed to calculate the ΔE_HS/LS energy gap as a clue to find complexes with SCO behavior. It is found that calculated result by B3LYP* with c₃ = 0.14 and OPBE methods and 6‐31G* basis set are in agreement with experimentally observed SCO complexes. Then, newly designed Fe(N‐N)₂(X)₂ complexes, where N‐N are bidentate nitrogen donor chelating ligands and X= SCN^‐, SeCN^‐, Cl^‐, Br^‐, I^‐, were chosen to see their potential to be SCO compounds. ΔE_HS/LS for potential SCO complexes are estimated from 0.8 to 6.5 kcal/mol in B3LYP* and 0.6–5.7 kcal/mol in OPBE. These calculations suggest [Fe(bpy)₂(NCSe)₂], [Fe(5dmbpy)₂(NCS)₂], and [Fe(3‐BrPhen)₂(NCSe)₂] compounds have the ability to show SCO behavior. © 2016 Wiley Periodicals, Inc.     

Densities, Viscosities, and Excess Gibbs Energy of Activation for Viscous Flow, for Binary Mixtures of Dimethyl Phthalate (DMP) with 1-Pentanol, 1-Butanol, and 1-Propanol at Two Temperatures

Summary. Density (ρ) and viscosity (η) values of the binary mixtures of DMP + 1-pentanol, 1-butanol, and 1-propanol over the entire range of mole fraction at 298.15 and 303.15 K were measured in atmospheric pressure. The excess molar volume (V ^E), viscosity deviations (Δη), and excess Gibbs energy of activation for viscous flow (G^*E) were calculated from the experimental measurements. These results were fitted to Redlich–Kister polynomial equation to estimate the binary interaction parameters. The viscosity data were correlated with equations of McAllister. The calculated functions have been used to explain the intermolecular interaction between the mixing components.     

Magnetic carbon nanotube‐supported imidazolium cation‐based ionic liquid as a highly stable nanocatalyst for the synthesis of 2‐aminothiazoles

Magnetic carbon nanotube‐supported imidazolium ionic liquid (CNT‐Fe₃O₄‐IL) was synthesized and investigated using various characterization techniques, including Fourier transform infrared and Raman spectroscopies, X‐ray diffraction, vibrating sample magnetometry, scanning and transmission electron microscopies, and thermogravimetric and differential thermal analyses. In order to synthesize the CNT‐Fe₃O₄‐IL nanocomposites, Fe₃O₄‐decorated multi‐walled CNTs were modified with 1‐methyl‐3‐(3‐trimethoxysilylpropyl)‐1H‐imidazol‐3‐ium chloride. This catalytic system was found to be a highly stable, active, reusable and solid‐phase catalyst for the synthesis of 2‐aminothiazoles via the one‐pot reaction of ketone, thiourea and N‐bromosuccinimide under mild conditions. Immobilized magnetic ionic liquid catalysis combines the advantages of ionic liquid media with magnetic solid support nanomaterials which enables the application of nanotechnology and green chemistry in chemical processes. Copyright © 2016 John Wiley & Sons, Ltd.     

Tungsten hexachloride nanoparticles loaded on montmorillonite K-10: a novel solid acid catalyst in the synthesis of symmetrical and unsymmetrical azines

In the present investigation, we have developed a novel technique to prepare azines using nano-WCl₆ loaded on Montmorillonite K10 clay as a highly active catalyst. A variety of aldehydes and ketones were efficiently converted to the corresponding azines using catalytic amounts of nanosized WCl₆/Mont. K10 under mild conditions. The nanostructures of WCl₆ loaded on Mont. K10 as solid acid catalyst have been prepared by solid dispersion method. The advantages of this catalyst are rapid completion of the reactions, simplicity of performance, lack of pollution and mild and green reaction conditions. The morphologies, structure, and chemical components of parent and modified clay were successfully characterized using SEM, FT-IR, CV, XRD and EDX measurements.