Synthesis of Novel 1‐(Benzo[d]thiazol‐2‐yl)‐1H‐pyrrol‐2(5H)‐ones

The titled products comprising of two mutually merged bioactive nucleuses, 2‐aminobenzo[d]thiazole and 2,5‐dihydropyrrole rings, were obtained from the reaction between dialkyl acetylenedicarboxylates and alkyl 2‐(benzo[d]thiazol‐2‐yl)amino‐2‐oxoacetates in the presence of triphenylphosphine at RT.     

Application of perforated sheets to improve the efficiency of reactive profiled noise barriers

The scope of this paper is to study the performance of noise barriers treated with different diffusers with/without a perforated sheet. We investigated the barrier insertion loss using a 2D boundary element method (BEM). To obtain a better depth sequence, a Random Sequence Diffuser (RSD) was designed. The results clearly showed that employing a "RSD" instead of the most popular Schroeder diffusers (Quadratic Residue Diffuser and Primitive Root Diffuser) increased the acoustic performance. We also found that the diffuser performance improved by treating the diffuser with perforated sheets either on the top surface or inside the wells. The addition of these perforated sheets inside the "RSD" (barrier model "RPI2") improved the performance by 3.59 dB (A).     

Combining Ion Mobility Spectrometry with Hydrogen-Deuterium Exchange and Top-Down MS for Peptide Ion Structure Analysis

The gas-phase conformations of electrosprayed ions of the model peptide KKDDDDIIKIIK have been examined by ion mobility spectrometry (IMS) and hydrogen deuterium exchange (HDX)-tandem mass spectrometry (MS/MS) techniques. [M+4H]⁴⁺ ions exhibit two conformers with collision cross sections of 418 Ų and 471 Ų. [M+3H]³⁺ ions exhibit a predominant conformer with a collision cross section of 340 Ų as well as an unresolved conformer (shoulder) with a collision cross section of ~367 Ų. Maximum HDX levels for the more compact [M+4H]⁴⁺ ions and the compact and partially-folded [M+3H]³⁺ ions are ~12.9, ~15.5, and ~14.9, respectively. Ion structures obtained from molecular dynamics simulations (MDS) suggest that this ordering of HDX level results from increased charge-site/exchange-site density for the more compact ions of lower charge. Additionally, a new model that includes two distance calculations (charge site to carbonyl group and carbonyl group to exchange site) for the computer-generated structures is shown to better correlate to the experimentally determined per-residue deuterium uptake. Future comparisons of IMS-HDX-MS data with structures obtained from MDS are discussed with respect to novel experiments that will reveal the HDX rates of individual residues. Graphical Abstract

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Effects of water-based gel electrolyte on the charge recombination and performance of dye-sensitized solar cells

A new water-based solution of ion-conductive polymeric gel electrolyte composed of polyethylene glycol and polyvinylpyrrolidone as gel-forming substances, I^?/I₃ ^? as reversible redox couple, and various ratios of acetonitrile/water solvents was prepared and used in the fabrication of dye-sensitized solar cells. The effects of water on the electrochemical behavior of the prepared electrolyte solutions were examined by the cyclic voltammetry and electrochemical impedance spectroscopy techniques. Electrochemical impedance spectroscopy was employed to quantify the charge-transfer resistance and the electron lifetime at the TiO₂ conduction band. The characteristic peak shifted to a lower frequency in the Bode phase plot, which is an indication of a longer electron lifetime for the cell containing more water content. Photovoltaic performance of the cells prepared by the new water-based gel electrolyte was studied. Changes in the current density–voltage (J–V) characteristics can be explained based on the effect of water on the energetics and kinetics of charge transport and charge recombination in the dye-sensitized solar cells (DSSCs). It was observed that the increase in open-circuit voltage (V _oc) and fill factor and decrease in J _SC were noticeable for cells containing water-based gel electrolyte. It was indicated that the charge recombination between injected electrons and electron acceptors (polyiodide) in the redox electrolyte was remarkably inhibited by the increase of water. The photovoltaic performance stability of the DSSC containing gel electrolyte solution including 50 wt% of water was examined, and it was shown that it is more stable than conventional cells considerably for 168 h. Energy conversion efficiency of 2.30 % was achieved, under illumination with a simulated solar light of 100 mW cm^?2.     

Single-step extraction and cleanup of bisphenol A in soft drinks by hemimicellar magnetic solid phase extraction prior to liquid chromatography/tandem mass spectrometry

Hemimicelles of tetradecanoate chemisorbed onto magnetic nanoparticles (MNPs) are here proposed as a sorbent for the single-step extraction and cleanup of bisphenol A (BPA) in soft drinks. The purpose of this work was to develop a simple, rapid and low-cost sample treatment suitable to assess the human exposure to BPA from this type of high consumption food. The nanoparticles were easily coated by mixing commercially available magnetite of 20–30 nm mean particle diameter with tetradecanoate at 85 °C for 30 min. The extraction/cleanup procedure involved stirring the samples (3 mL) with 200 mg of tetradecanoate-coated MNPs for 20 min, isolating the sorbent with a Nd–Fe–B magnet and eluting BPA with methanol. The extraction efficiency was not influenced by salt concentrations up to 1 M and pH values over the range 4–9. No cleanup of the extracts was needed, and the method proved matrix-independent. The extracts were analyzed by liquid chromatography, electrospray ionization tandem mass spectrometry. Quantitation was performed by internal standard calibration using BPA-¹³C₁₂. The limit of quantitation obtained for the method, 0.03 ng mL⁻¹, was below the usual range of concentrations reported for BPA in soft drinks (0.1–3.4 ng mL⁻¹). The proposed method was successfully applied to the determination of BPA in different samples acquired from various supermarkets in southern Spain; the concentrations found ranged from 0.066 to 1.08 ng mL⁻¹. Recoveries from samples spiked with 0.33 ng mL⁻¹ of BPA ranged from 91% to 105% with relative standard deviations from 3% to 8%.     

One‐Pot Synthesis of Sulfonamides and Sulfonyl Azides from Thiols using Chloramine‐T

A convenient synthesis of sulfonamides and sulfonyl azides from thiols is described. In situ preparation of sulfonyl chlorides from thiols was accomplished by oxidation with chloramine‐T (=N‐chlorotosylamide=N‐chloro‐4‐methylbenzenesulfonamide), tetrabutylammonium chloride (Bu₄NCl), and H₂O. The sulfonyl chlorides were then further allowed to react with excess amine or NaN₃ in the same pot.     

PEBA/PVDF blend pervaporation membranes: preparation and performance

In the present research, novel polyether block amide (PEBA)/polyvinyldene fluoride (PVDF) blend pervaporation (PV) membranes were prepared for the removal of isopropyl alcohol (IPA) from the aqueous solution. The membranes obtained at PEBA/PVDF ratios of 100/0, 95/5, and 90/10 were characterized using scanning electron microscopy, thermogravimetric analysis, water contact angle measurement, and tensile test. Moreover, the PV performance of the membranes was assessed via separation of IPA from the aqueous solution. The blended membranes exhibited higher hydrophobicity and separation factor as well as lower permeability in comparison with the pure PEBA membrane. The blended membrane that was prepared at PEBA/PVDF ratio of 95/5 was found as the optimum membrane providing PV separation index of 3171 that appeared to be the maximum value. Copyright © 2016 John Wiley & Sons, Ltd.     

Fundamental Study of Pore Scale Mechanisms in Microbial Improved Oil Recovery Processes

A fundamental study of microscopic mechanisms and pore-level phenomena in the Microbial Improved Oil Recovery method has been investigated. Understanding active mechanisms to increase oil recovery is the key to predict and plan MIOR projects successfully. This article presents the results of visualization experiments carried out in a transparent pore network model. In order to study the pore scale behavior of bacteria, dodecane and an alkane oxidizing bacterium, Rhodococcus sp. 094, suspended in brine, are examined for evaluating the performance of bacterial flooding in the glass micromodel. The observations show the effects of bacteria on remaining oil saturation, allowing us to get better insight on the mechanisms. Bacterial mass composed of bacteria and bioproducts growth in the fluid interfaces and pore walls have been recorded and are presented. No gas is observed throughout any of the experiments. The biomass blocks some pores and pore-throats, and thereby changing the flow pattern. As a consequent, the flow pattern change together with the previously proposed mechanisms, including the interfacial tension reduction and wettability changes are recognized as active mechanisms in the MIOR process.     

Multicomponent reactions of dimethyl methoxymalonate and dialkyl acetylenedicarboxylate in the presence of N-Nucleophiles: one-pot synthesis of 2H-pyridinyl-2-butenedioates in water

Molecular Diversity - An efficient synthesis of 2H-pyridinyl-2-butenedioate derivatives via reaction of dimethyl methoxymalonate and dialkyl acetylenedicarboxylate in the presence of N-nucleophiles...     

Rheological properties and percolation in suspensions of multiwalled carbon nanotubes in polycarbonate

This paper is concerned with several issues related to the rheological behavior of polycarbonate/multiwalled carbon nanotube nanocomposites. The composites were prepared by diluting a masterbatch of 15 wt.% nanotubes using melt-mixing method, and the dispersion was analyzed by SEM, TEM, and AFM techniques. To understand the percolated structure, the nanocomposites were characterized via a set of rheological, electrical, and thermal conductivity measurements. The rheological measurements revealed that the structure and properties were temperature dependent; the percolation threshold was significantly lower at higher temperature suggesting stronger nanotube interactions. The nanotube networks were also sensitive to the steady shear deformation particularly at high temperature. Following preshearing, the elastic modulus decreased markedly suggesting that the nanotubes became more rigid. These results were analyzed using simple models for suspensions of rod-like particles. Finally, the rheological, electrical, and thermal conductivity percolation thresholds were compared. As expected, the rheological threshold was smaller than the thermal and electrical threshold.