Synthesis of dialkyl 2,5-dihydro-5-oxo-1,2-azaphosphole-3,4-dicarboxylates

The adducts produced in the reaction between triphenylphosphine and dialkyl acetylenedicarboxylates were trapped by arylsulfonyl isocyanates to produce dialkyl 2,5-dihydro-5-oxo-1,2-azaphosphole-3,4-dicarboxylates in good yields.     

First anionic 1,10-phenanthroline-2,9-dicarboxylate containing metal complex obtained from a novel 1:1 proton-transfer compound: synthesis,characterization, crystal structure,and solution studies

The new 1,10-phenanthroline containing 1:1 proton-transfer compound LH(2), [pyda.H(2)](2+)[phendc](2-), was synthesized from the reaction of 2,6-pyridinediamine, pyda, and 1,10-phenanthroline-2,9-dicarboxylic acid, phendc.H(2), and characterized by elemental analysis, ES-Ms, IR, (1)H, (13)C NMR, and UV/vis spectroscopies. Subsequently, the first example of [phendc](2)(-) containing anionic complex [pyda.H](2)[Co(phendc)(2)].10H(2)O, was prepared, using the above novel proton-transfer compound, and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in the space group P2(1)/n of the monoclinic system with four molecules in a unit cell of dimensions a = 11.877(3) A, b = 31.473(9) A, c = 12.915(4) A, and beta = 116.223(5) degrees. The structure has been refined to a final value for the crystallographic R factor of 0.0524 based on 9021 observed independent reflections. The complexation reactions of pyda, phendc.H(2), and LH(2) with H(+) as well as LH(2) with Co(II) in aqueous solution were investigated by potentiometric pH titrations, and the equilibrium constants for all major complexes formed are described. The results are presented in the form of distribution diagrams revealing the concentrations of individual complex species as a function of pH. The results revealed that, at a pH range of 5.2-6.2, the major complex species is [(pyda.H)](2)[Co(phendc)(2)], similar to the isolated crystalline complex.     

Nontrivial tensile behavior of rutile TiO<Subscript>2</Subscript> nanowires: a molecular dynamics study

In this paper, we study the tensile behavior of cylindrical rutile TiO₂ nanowires, employing molecular dynamics (MD) simulation technique. The third-generation charge optimized many-body (COMB3) has been used for interatomic potential modeling. The influence of temperature and nanowire diameter on Young’s modulus is investigated. Our simulations exhibit the anisotropic behavior of Young’s modulus as a function of diameter for different crystallographic orientations. Although our results are in good accord with the existing results in [1 0 0] direction, Young’s modulus adds up monotonically with increasing the cross-sectional diameter of nanowire in [0 0 1] direction. It is found that Young’s modulus of the nanowires are lower (higher) than the bulk value for [0 0 1] ([1 0 0]) direction. Furthermore, simulation results also indicate that Young’s modulus of rutile TiO₂ nanowire increases as a function of temperature for a given diameter, unexpectedly. The obtained results may be useful in the field of nanotechnology for optimizing mechanical performance to gain specific applications.     

Effects of deformability of RBCs on their dynamics and blood flow passing through a stenosed microvessel: an immersed boundary-lattice Boltzmann approach

In this paper, the motion of high deformable (healthy) and low deformable (sick) red blood cells in a microvessel with and without stenosis is simulated using a combined lattice Boltzmann-immersed boundary method. The RBC is considered as neo-Hookean elastic membrane with bending resistance. The motion and deformation of the RBC under different values of the Reynolds number are evaluated. In addition, the variations of blood flow resistance and time-averaged pressure due to the motion and deformation of the RBC are assessed. It was found that a healthy RBC moves faster than a sick one. The apparent viscosity and blood flow resistance are greater for the case involving the sick RBC. Blood pressure at the presence of stenosis and low deformable RBC increases, which is thought of as the reason of many serious diseases including cardiovascular diseases. As the Re number increases, the RBC deforms further and moves easier and faster through the stenosis. The results of this study were compared to the available experimental and numerical results, and good agreements were observed.     

Synthesis of soluble and thermally stable polyimides from unsymmetrical diamine containing 2,4,5-triaryl imidazole pendent group

A novel unsymmetrical diamine monomer containing triaryl imidazole pendant group, 4-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy] benzene-1,3-diamine (DAI), was successfully synthesized via aromatic substitution reaction of 1-chloro-2,4-dinitrobenzene with 4-(4,5-diphenyl-1H-imidazol-2-yl)phenol, followed by palladium-catalyzed hydrazine reduction. The diamine monomer DAI polymerized with commercial available dianhydrides such as benzophenone tetracarboxylic dianhydride (BTDA), pyromellitic dianhydride (PMDA) and bicyclo[2.2.2]-oct-7-ene-2,3,5,6-tetracarboxylic dianhydride (BCDA) by using two step synthetic methods to obtain corresponding polyimides (PIs). PIs had inherent viscosity of 0.42-0.51 dL/g and exhibited excellent solubility in aprotic polar solvents such as N,N-dimethylacetamide (DMAc), N-methyl-2-pyrrolidone (NMP), N,N-dimethylformamide (DMF), pyridine and methyl sulfoxide (DMSO). PIs showed high glass transition temperatures between 230 and 320 °C, and they were fairly stable up to a temperature above 300 and 450 °C depending on the dianhydride monomer used for the PIs preparation.     

Polypyrrole coated ZnO nanorods on platinum wire for solid-phase microextraction of amitraz and teflubenzuron pesticides prior to quantitation by GC-MS

The authors describe a new sorbent for amitraz and teflubenzuron pesticides. It consists of a platinum wire coated with polypyrrole-coated ZnO nanorods. The nanocomposite was prepared by a two-step process. In the first step, oriented ZnO nanorods were hydrothermally grown in situ on a platinum wire. Subsequently, oxidative vapor phase polymerization of pyrrole was performed on FeCl₃-impregnated ZnO nanorods to give a porous polypyrrole film. The organic/inorganic nanocomposite synthesized through hydrothermal deposition and chemical vapor deposition polymerization yields material with attractive properties. The coated wire was applied to solid-phase microextraction of amitraz (in the form of 2,4-dimethylaniline resulting from the hydrolysis of amitraz) and teflubenzuron. The effects of extraction temperature, extraction time, sample pH value and salt concentration were optimized. The analytes 2,4-dimethylaniline and teflubenzuron were then quantified by GC-MS. Under optimum conditions, the LODs range between 0.1 and 0.15 ng.mL^?1. Relative standard deviations at two concentration are <8.3% for intraday precision and <10.3% for inter-day precision. In all cases, the fiber to fiber reproducibility is <12.2%. For both analytes the linear dynamic ranges are 0.5–300 ng.mL^?1. The procedure was successfully applied to the analysis of spiked agricultural water samples.

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Graphical abstract A novel inorganic/organic hybrid nanocomposite was synthesized through in situ hydrothermal deposition of ZnO nanorods and ten placing a thin layer of polypyrrole on them by chemical vapor deposition polymerization. This nanocomposite was applied to fabricate a solid-phase microextraction fiber for the extraction of amitraz and teflubenzuron pesticides residue from agricultural samples prior to their quantitation by GC-MS.

     

Temperature effects on electrical double layer at solid-aqueous solution interface

Despite the significant influence of solution temperature on the structure of electrical double layer, the lack of theoretical model intercepts us to explain and predict the interesting experimental observations. In this work, we study the structure of electrical double layer as a function of thermochemical properties of the solution by proposing a phenomenological temperature dependent surface complexation model. We found that by introducing a buffer layer between the diffuse layer and stern layer, one can explain the sensitivity of zeta potential to temperature for different bulk ion concentrations. Calculation of the electrical conductance as function of thermochemical properties of solution reveals the electrical conductance not only is a function of bulk ion concentration and channel height but also the solution temperature. The present work model can provide deep understanding of micro- and nanofluidic devices functionality at different temperatures.     

Ammonia fiber expansion pretreatment and enzymatic hydrolysis on two different growth stages of reed canarygrass

Plant materials from the vegetative growth stage of reed canarygrass and the seed stage of reed canarygrass are pretreated by ammonia fiber expansion (AFEX) and enzymatically hydrolyzed using 15 filter paper units (FPU) cellulase/g glucan to evaluate glucose and xylose yields. Percent conversions of glucose and xylose, effects of temperature and ammonia loading, and hydrolysis profiles are analyzed to determine the most effective AFEX treatment condition for each of the selected materials. The controls used in this study were untreated samples of each biomass material. All pretreatment conditions tested enhanced enzyme digestibility and improved sugar conversions for reed canarygrass compared with their untreated counterparts. Based on 168 h hydrolysis results using 15 FPU Spezyme CP cellulase/g glucan the most effective AFEX treatment conditions were determined as: vegetative growth stage of reed canarygrass--100 degrees C, 60% moisture content, 1.2:1 kg ammonia/kg of dry matter (86% glucose and 78% xylose) and seed stage of reed canarygrass--100 degrees C, 60% moisture content, 0.8:1 kg ammonia/kg of dry matter (89% glucose and 81% xylose). Supplementation by commercial Multifect 720 xylanase along with cellulase further increased both glucose and xylose yields by 10-12% at the most effective AFEX conditions.     

Effect of notch depth and radius on the critical fracture load of bainitic functionally graded steels under mixed mode I + II loading

Functionally graded steels are produced from austenitic stainless steel and carbon steel by controlling the chemical distribution of chromium, nickel and carbon atoms at the remelting stage through electroslag remelting process. In the present paper, the strain-energy density criterion is employed to assess the critical load of rounded V-notched components made of functionally graded bainitic steel. A crack arrester configuration under mixed mode loading is considered. The flow (yield/ultimate) strength and fracture toughness are assumed to vary exponentially along the notch depth direction while the Young’s modulus and the Poisson’s ratio are assumed to be constant. The control volume, which is a reminiscent of Neuber’s elementary structural volume, depends on the ultimate tensile strength σ_ut and the fracture toughness K _IC in the case of brittle or quasi-brittle materials subjected to static loadings. Since, σ_ut and K _IC are not constant along the notch depth, the control volume which can be obtained numerically as a function of the variation of these material properties through the specimen width. Different values of the notch root radius (from 0.2 to 2.0 mm) and notch depth (from 5 to 7 mm) are considered. The assessed critical fracture loads are in sound agreement with the experimental results.     

A modified (S − 1, S) inventory system for deteriorating items with Poisson demand and non-zero lead time

An inventory system is considered for continuous decaying items with non-zero lead time and stochastic demand when shortages are allowed and all unsatisfied demands are backlogged. In this research we consider orders as separate packages where replenishment is one-for-one and a modified base stock policy is applied. In this paper, a penalty cost is introduced for stochastic inventory models with decaying items when less than one unit of the product is delivered to the customers. The objective of the warehouse is to maximize his average profit. Since the concavity analysis of the model is extremely complicated, an upper bound is introduced and an algorithm is presented for finding the optimal solution. Finally, a numerical example is presented and sensitivity analysis is carried out for a number of important parameters.