Anomeric-Schleyer hyperconjugative interaction as a convenient avenue for aromaticity enhancement of phospholes

Due to the insufficient interaction of the phosphorus lone pair with the butadiene moiety, the aromaticity of the phosphole ring is lower than that of its counterpart's pyrrole, furan, and thiophene. Considering the high importance of phosphole core in organic chemistry, increasing its stability through reinforcement its aromaticity can be very valuable. In the present work, the aromaticity of the phosphole on the anomeric carbon in both the axial and equatorial conformers of the unsaturated six-membered heterocycles, using structural, electronic, energetic, and magnetic indices were investigated by the DFT-B3LYP/6-311++G(d,p) computational method. Electron pumping through anomeric and then Schleyer hyperconjugative interaction increase the aromaticity of the phosphole ring in axial conformer of compounds 1–11 . Based on various types of aromaticity indices, the results showed that the phosphole ring in the axial position has far higher aromaticity than the equatorial position. The phosphole ring containing cyano groups shows an efficient anomeric effect and, as a result, higher aromaticity. Excellent correlations were observed between aromaticity indices with different backgrounds.     

Phase selective amphiphilic supergelators for oil spill solidification and dye removal

Four glucose-based phase selective organogelators were designed and synthesized from low-cost and readily available starting materials. Our rapid acting supergelators were able to gelate a wide spectrum of solvents in mono- or biphasic systems, at very low concentration. They were shown to solidify oil spills at room temperature, in the form of a semi-dried gel, within 90 min. It was also revealed that their n-butanol gel could effectively absorb pollutant dyes from aqueous media. As novel smart materials, these gelators are potentially applicable to remove contaminants including aromatic solvents, oil spills, and toxic dyes from water resources. The gelators have been well characterized using spectroscopic, microscopic, and rheological studies.     

Ligand‐free,copper‐catalyzed,one‐pot,three‐component synthesis of novel 1,2,3‐triazole‐linked indoles in magnetized water

Magnetized water (MW) is used as a green and new solvent‐promoting medium for the one‐pot, three‐component synthesis of novel 1,2,3‐triazole‐linked indoles catalyzed by copper iodide. A broad range of 2‐aryl‐1‐(prop‐2‐ynyl)‐1H‐indole‐3‐carbaldehydes were reacted with alkyl halides and sodium azide via copper‐catalyzed azide–alkyne cycloaddition reactions in MW in the absence of any ligand. This method offers the advantages of short reaction times, green procedure, low cost, simple work‐up, quantitative reaction yields, and no need for any organic solvent.     

Decays of intermediate vector bosons,radiative corrections and QCD jets

We investigate decay properties of the intermediate vector bosons W^± and Z⁰. QED and QCD radiative corrections to leptonic and hadronic decay modes are calculated. Implications of the results for decay widths, branching ratios, determination of the number of neutrino species, e-μ-τ universality and properties of hadronic jets produced in W^± and Z⁰ decays are examined.     

Some results on the annihilator graph of a commutative ring

Let R be a commutative ring. The annihilator graph of R, denoted by AG(R), is the undirected graph with all nonzero zero-divisors of R as vertex set, and two distinct vertices x and y are adjacent if and only if ann _R (xy) ≠ ann _R (x) ∪ ann _R (y), where for z ∈ R, ann _R (z) = {r ∈ R: rz = 0}. In this paper, we characterize all finite commutative rings R with planar or outerplanar or ring-graph annihilator graphs. We characterize all finite commutative rings R whose annihilator graphs have clique number 1, 2 or 3. Also, we investigate some properties of the annihilator graph under the extension of R to polynomial rings and rings of fractions. For instance, we show that the graphs AG(R) and AG(T(R)) are isomorphic, where T(R) is the total quotient ring of R. Moreover, we investigate some properties of the annihilator graph of the ring of integers modulo n, where n ? 1.     

Analytic Analysis for Oil Recovery During Counter-Current Imbibition in Strongly Water-Wet Systems

We study counter-current imbibition, where a strongly wetting phase (water) displaces non-wetting phase spontaneously under the influence of capillary forces such that the non-wetting phase moves in the opposite direction to the water. We use an approximate analytical approach to derive an expression for saturation profile when the viscosity of the non-wetting phase is non-negligible. This makes the approach applicable to water flooding in hydrocarbon reservoirs, or the displacement of non-aqueous phase liquid (NAPL) by water. We find the recovery of non-wetting phase as a function of time for one-dimensional flow. We compare our predictions with experimental results in the literature. Our formulation reproduces experimental data accurately and is superior to previously proposed empirical models.     

Efficient numerical schemes for the solution of generalized time fractional Burgers type equations

The main aim of this paper is to propose two semi-implicit Fourier pseudospectral schemes for the solution of generalized time fractional Burgers type equations, with an analysis of consistency, stability, and convergence. Under some assumptions, the unconditional stability of the schemes is shown. In implementation of these schemes, the fast Fourier transform (FFT) can be used efficiently to improve the computational cost. Various test problems are included to illustrate the results that we have obtained regarding the proposed schemes. The results of numerical experiments are compared with analytical solutions and other existing methods in the literature to show the efficiency of proposed schemes in both accuracy and CPU time. As numerical solution of fractional stochastic nonlinear partial differential equations driven by Brownian motions are among current related research interests, we report the performance of these schemes on stochastic time fractional Burgers equation as well.     

Pitzer and Pitzer–Simonson–Clegg Modeling Approaches: Ternary HCl + 2-Propanol + Water Electrolyte System

Despite its success for modeling electrolyte thermodynamics in aqueous media, the use of the Pitzer approach for the investigation of electrolytes in nonaqueous or in mixed solvent media is still very limited. Further, a review of the literature reveals that there are no more than a few research groups who have used the exact form of the Pitzer–Simonson–Clegg (PSC) ion-interaction approach for the investigation of electrolytes in mixed solvent systems. As a continuation of our previous studies, the present investigation reports modeling of HCl in the 2-propanol + water mixed solvent system with the Pitzer, PSC and an extended form of the PSC ion-interaction approaches using the experimental potentiometric data from a cell containing pH glass membrane and Ag/AgCl electrodes. The electrochemical measurements were performed over the HCl molality range from 0.01 to 4.5 mol⋅kg⁻¹ in mixed 2-propanol (x%)+water (100−x%) solvents, with different solvent percent mass fractions (x%=10,20,30,40 and 50%) at 298.15±0.05 K.