Synthesis of N,N-diethyldithiocarbamate functionalized 1,4-polyisoprene, from natural rubber and synthetic 1,4-polyisoprene

N,N-Diethyldithiocarbamate functionnalized 1,4-polyisoprenes were prepared from 1,4-polyisoprenes (natural or synthetic). The syntheses were performed by nucleophilic addition of N,N-diethyldithiocarbamate salts upon oxirane rings of epoxidized units according to a SN2 mechanism with ring opening. Studies on model molecules of epoxidized 1,4-polyisoprene units (1,2-epoxy-1-methylcyclohexane and 4,5-epoxy-4-methyloctane) were previously achieved to develop the procedure. The best yields were obtained at low temperature in polar medium, and more especially in water with sodium N,N-diethyldithiocarbamate (DEDT-Na) as reagent. A diastereospecific addition was noted when reaction was performed in water with DEDT-Na. Afterwards, the developed procedure was successfully generalized to epoxidized synthetic polyisoprenes and epoxidized natural rubber (in THF, then in latex medium). Excellent results were obtained in latex medium with epoxidized natural rubber (ENR) latices. As with the models, a diastereospecific addition of sodium N,N-diethyldithiocarbamate trihydrate onto epoxidized 1,4-polyisoprene units of ENR was observed at the condition to bring the latex medium to pH 8 before introduction of DEDT-Na. Influence of temperature, drc, and DEDT-Na concentration were successively examined to determine the best conditions of the addition on ENR latices.     

A new sinusoidal shear deformation theory for bending,buckling, and vibration of functionally graded plates

A new sinusoidal shear deformation theory is developed for bending, buckling, and vibration of functionally graded plates. The theory accounts for sinusoidal distribution of transverse shear stress, and satisfies the free transverse shear stress conditions on the top and bottom surfaces of the plate without using shear correction factor. Unlike the conventional sinusoidal shear deformation theory, the proposed sinusoidal shear deformation theory contains only four unknowns and has strong similarities with classical plate theory in many aspects such as equations of motion, boundary conditions, and stress resultant expressions. The material properties of plate are assumed to vary according to power law distribution of the volume fraction of the constituents. Equations of motion are derived from the Hamilton’s principle. The closed-form solutions of simply supported plates are obtained and the results are compared with those of first-order shear deformation theory and higher-order shear deformation theory. It can be concluded that the proposed theory is accurate and efficient in predicting the bending, buckling, and vibration responses of functionally graded plates.     

Direct Visualization of Atomic Structure in Multivariate Metal-Organic Frameworks (MOFs) for Guiding Electrocatalysts Design

The direct utilization of metal–organic frameworks (MOFs) for electrocatalytic oxygen evolution reaction (OER) has attracted increasing interests. Herein, we employ the low-dose integrated differential phase contrast-scanning transmission electron microscopy (iDPC-STEM) technique to visualize the atomic structure of multivariate MOFs (MTV-MOFs) for guiding the structural design of bulk MOFs for efficient OER. The iDPC-STEM images revealed that incorporating Fe³⁺ or 2-aminoterephthalate (ATA) into Ni-BDC (BDC: benzenedicarboxylate) can introduce inhomogeneous lattice strain that weaken the coordination bonds, which can be selectively cleaved via a mild heat treatment to simultaneously generate coordinatively unsaturated metal sites, conductive Ni@C and hierarchical porous structure. Thus, excellent OER activity with current densities of 10 and 100 mA cm⁻² are achieved over the defective MOFs at small overpotentials of 286 mV and 365 mV, respectively, which is superior to the commercial RuO₂ catalyst and most of the bulk MOFs.     

A computational study of hybrid approaches of metaheuristic algorithms for the cell formation problem

In this paper we solve the 0–1 cell formation problem where the number of cells is fixed a priori and where the objective is to maximize the overall efficiency of a production system by grouping together machines providing service to similar parts into a subsystem (denoted cell). Three different methods are introduced and compared numerically. The first local search method is an implementation of simulated annealing (SA) where the definition of the neighbourhood is specific to the application and requires using a diversification and intensification strategies. The second local search method is an adaptive simulated annealing method where the neighbourhood is selected randomly at each iteration. The procedure is adaptive in the sense that the probability of selecting a neighbourhood is updated during the process. The third method is a hybrid method (HM) of a population-based method and a local search method. To improve the solution obtained with HM, we apply a SA method afterward. The best variants are very efficient to solve the 35 benchmark problems commonly used in the literature.     

Exciton Binding Energies in Conjugated Polyelectrolyte Films

Molecular design: The electronic structure of conjugated polyelectrolytes as a function of ionization potential (IP) and electron affinity (EA) is determined using X‐ray absorption and emission spectroscopy (see figure). Different functional groups give rise to dissimilar transport gaps and exciton binding energies.

     

Axial-flexural coupled vibration and buckling of composite beams using sinusoidal shear deformation theory

A finite element model based on sinusoidal shear deformation theory is developed to study vibration and buckling analysis of composite beams with arbitrary lay-ups. This theory satisfies the zero traction boundary conditions on the top and bottom surfaces of beam without using shear correction factors. Besides, it has strong similarity with Euler–Bernoulli beam theory in some aspects such as governing equations, boundary conditions, and stress resultant expressions. By using Hamilton’s principle, governing equations of motion are derived. A displacement-based one-dimensional finite element model is developed to solve the problem. Numerical results for cross-ply and angle-ply composite beams are obtained as special cases and are compared with other solutions available in the literature. A variety of parametric studies are conducted to demonstrate the effect of fiber orientation and modulus ratio on the natural frequencies, critical buckling loads, and load-frequency curves as well as corresponding mode shapes of composite beams.     

Simultaneous Determination of Paracetamol,Ibuprofen, and Caffeine in Tablets by Molecular Absorption Spectroscopy Combined with Classical Least Square Method

In this paper, the classical least-squares (CLS) method with molecular absorption spectrophotometric measurement was used to determine simultaneously paracetamol (PAR), ibuprofen (IBU), and caffeine (CAF) in tablets. The absorbance spectra of the standard solutions and samples were measured over a wavelength from 220 to 300 nm with a 0.5 nm step. The concentration of PAR, IBU, and CAF in the sample solutions was calculated by using Visual Basic for Applications (VBA) and a program called CLS-Excel written in Microsoft Excel 2016. The method and the CLS-Excel program were tested on mixed standard laboratory samples with different PAR, IBU, and CAF concentration ratios, and they showed only small errors and a satisfying repeatability. An analytical procedure for tablets containing PAR, IBU, and CAF was developed. The reliability of the procedure was proved via the recovery and repeatability of the analysis results with an actual tablet sample and by comparing the mean contents of active substances in the tablets obtained from the analytical procedure with the HPLC method. The procedure is simple with a reduced cost compared with the HPLC standard method.     

Twisted olefinic building blocks for low bandgap polymers in solar cells and ambipolar field‐effect transistors

A series of polymers based on 8,8′‐biindeno[2,1‐b]thiophenylidene for use in photovoltaic devices and field‐effect transistors are reported. These structurally twisted olefins are effective building blocks for preparation of low bandgap polymers with optical bandgaps of 1.2–1.5 eV. Device performance, such as V_oc and J_sc, in solar cell devices could be successfully modulated by incorporation of a variety of comonomers. Ambipolar properties in field‐effect transistors using Au electrodes were also studied, with PtBTPDPP exhibiting balanced charge transport properties with hole and electron mobilities of 0.09 and 0.12 cm²·V^?1·s^?1, respectively. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 889–899