Unexpected One‐pot Synthesis of Novel 2‐Aminopyrimidine‐4‐ones under Microwave Irradiation

One‐pot, three‐component condensation of guanidine, ethylbenzoylacetate and various aromatic aldehydes in the presence of NaHCO₃ have been investigated by microwave irradiation. The aromatic aldehydes bearing electron‐withdrawing groups undergo condensation with guanidine and ethylbenzoyl‐acetate to afford ethyl‐2‐amino‐4‐aryl‐1,4‐dihydro‐6‐phenylpyrimidine‐5‐carboxylate derivatives via Biginelli reaction. However, reaction of the aromatic aldehydes having electron‐releasing groups with guanidine and ethylbenzoylacetate did not give the corresponding dihydropyrimidines. Instead, novel 2‐amino‐5‐benzoyl‐5,6‐dihydro‐6‐arylpyrimidine‐4(3H)‐ones were obtained via an unexpected mechanism.     

An inventory model with backorders with fuzzy parameters and decision variables

The paper considers an inventory model with backorders in a fuzzy situation by employing two types of fuzzy numbers, which are trapezoidal and triangular. A full-fuzzy model is developed where the input parameters and the decision variables are fuzzified. The optimal policy for the developed model is determined using the Kuhn-Tucker conditions after the defuzzification of the cost function with the graded mean integration (GMI) method. Numerical examples and a sensitivity analysis study are provided to highlight the differences between crisp and the fuzzy cases.     

A Levenberg–Marquardt method based on Sobolev gradients

We extend the theory of Sobolev gradients to include variable metric methods, such as Newton’s method and the Levenberg–Marquardt method, as gradient descent iterations associated with stepwise variable inner products. In particular, we obtain existence, uniqueness, and asymptotic convergence results for a gradient flow based on a variable inner product.     

EVALUATION OF THE STRUCTURE AND CHARACTERISTICS OF CIRCUMTRINDENE DERIVATIVES: A DFT STUDY

Journal of Structural Chemistry - The structures and properties of Circumtrindene derivatives were studied at M062X/6-31+G(d,p) level of theory. The UV spectra of compounds were simulated by TD DFT...     

Magnetically Recoverable Catalysts: Catalysis in Synthesis of Polyhydroquinolines

Molecules that contain polyhydroquinoline structural scaffolds are N-containing heterocycles which are of great interest to organic chemists and biologists. Polyhydroquinoline structural scaffolds which are known as calcium channel blockers have emerged as one of the most important class of drugs used for the treatment of cardiovascular and Alzheimer's diseases. Besides, recovery and reusability of catalysts are important issues to be discussed in modern catalysis research especially in organic synthesis. The concept of magnetically recoverable catalysts has been rapidly developed in recent times. Magnetic separation is an efficient strategy for the rapid separation of catalysts from the reaction medium. Also, an alternative to time-, solvent-, and energy-consuming separation techniques. In this review, we focused on the fabrication, surface-modification and characterization of nanomagnetic materials and their application, as magnetically recoverable catalysts, in the synthesis of polyhydroquinoline structural scaffolds.     

SPH-based numerical treatment of the interfacial interaction of flow with porous media

In this paper, the macroscopic equations of mass and momentum are developed and discretized based on the smoothed particle hydrodynamics (SPH) formulation for the interaction at an interface of flow with porous media. The theoretical background of flow through porous media is investigated to highlight the key constraints that should be satisfied, particularly at the interface between the porous media flow and the overlying free flow. The study aims to investigate the derivation of the porous flow equations, computation of the porosity, and treatment of the interfacial boundary layer. It addresses weak assumptions that are commonly adopted for interfacial flow simulation in particle-based methods. As support to the theoretical analysis, a two-dimensional weakly compressible SPH model is developed based on the proposed interfacial treatment. The equations in this model are written in terms of the intrinsic averages and in the Lagrangian form. The effect of particle volume change due to the spatial change of porosity is taken into account, and the extra stress terms in the momentum equation are approximated by using Ergun's equation and the subparticle scale model to represent the drag and turbulence effects, respectively. Four benchmark test cases covering a range of flow scenarios are simulated to examine the influence of the porous boundary on the internal, interface, and external flows. The capacity of the modified SPH model to predict velocity distributions and water surface behavior is fully examined with a focus on the flow conditions at the interfacial boundary between the overlying free flow and the underlying porous media.     

Dynamic stability of functionally graded cantilever cylindrical shells under distributed axial follower forces

In this paper, flutter of functionally graded material (FGM) cylindrical shells under distributed axial follower forces is addressed. The first-order shear deformation theory is used to model the shell, and the material properties are assumed to be graded in the thickness direction according to a power law distribution using the properties of two base material phases. The solution is obtained by using the extended Galerkin's method, which accounts for the natural boundary conditions that are not satisfied by the assumed displacement functions. The effect of changing the concentrated (Beck's) follower force into the uniform (Leipholz's) and linear (Hauger's) distributed follower loads on the critical circumferential mode number and the minimum flutter load is investigated. As expected, the flutter load increases as the follower force changes from the so-called Beck's load into the so-called Leipholz's and Hauger's loadings. The increased flutter load was calculated for homogeneous shell with different mechanical properties, and it was found that the difference in elasticity moduli bears the most significant effect on the flutter load increase in short, thick shells. Also, for an FGM shell, the increase in the flutter load was calculated directly, and it was found that it can be derived from the simple power law when the corresponding increase for the two base phases are known.     

Constructing Robust Entangled Coherent GHZ and W States via a Cavity QED System

Using a system of three distant cavities, we propose a method for constructing tripartite entangled coherent GHZ and W states which are robust due to the photon losses in the cavities. Each of cavities is doped with a semiconductor quantum dot. By the dynamics, the excitonic modes of quantum dots are enabled to exhibit entangled coherent GHZ and W states. Apart from the exciton losses, the master equation approach shows that when the populations of the field modes in the cavities are negligible the destruction of entanglement due to dissipation arises from photon losses, is effectively suppressed.     

Application of Fast Grey RA to the spectrophotometric determination of copper in soft tissues of Egyptian camels

Copper in different organs of Egyptian camels was successfully determined spectrophotometrically using Fast Grey RA. Its values amounted to: 200.8 ± 11.4, 155.8 ± 16.1, 142 ± 6.8, 128.3 ± 6.9, 117.6 ± 5.1, 113.0 ± 5.3, 86.3 ± 3.2, 79.0 ± 5.2, 76.3 ± 3.7, 66.3 ± 4.3, 59.8 ± 1.7, 57.6 ± 3.0, 53.0 ± 2.2, 36.3 ± 2.3 and 3.03 ± 0.32 μg/g dry matter of hair, liver, spleen, lung, heart, integument, muscle, brain, lymph gland, small intestine, large intestine, kidney, adrenal, fourth stomach, and hump, respectively, while 1 ml citrated blood contained 6.97 ± 0.64 μg. Of 16 elements mentioned, only vanadium interferes with the determination of copper in hair by the present method.     

Iodine/potassium iodide catalyst for the synthesis of trifluoromethylated quinazolines via intramolecular cyclization of 2,2,2-trifluoro-N-benzyl-N′-arylacetimidamides

Molecular Diversity - An efficient and simple protocol for the synthesis of trifluoromethylated quinazolines has been described by I2-/KI-promoted oxidative C(sp3)–C(sp2) bond under the...