Autotandem Catalysis: Inexpensive and Green Access to Functionalized Ketones by Intermolecular Iron-Catalyzed Amidoalkynylation/Hydration Cascade Reaction via N-Acyliminium Ion Chemistry

Iron-based catalysts were applied in cascade-type reactions for the synthesis of different carbonyl compounds. The reactions proceeded by a new iron-catalyzed cascade of alkynylation/hydration by using both the σ- and π-Lewis acid properties of iron salts. The alkynylation reactions of several endo and exocyclic acetoxylactams were achieved with three different catalysts including FeCl₃ ⋅ 6H₂O, FeCl₃, and Fe(OTf)₃ showing the efficiency of σ-Lewis acidity of iron (III) salts in catalyzing the alkynylation reaction. We also demonstrated that the reaction sequence could be shortened by the direct use of hydroxylactams, leading to an environmentally friendly protocol, avoiding the need to perform unnecessary lengthy steps. A combination of the hard/soft iron Lewis acid properties was then used to implement an unprecedented tandem intermolecular alkynylation/intramolecular hydration sequence allowing expedient access to a new carbonyl structures from trivial materials.     

Effect of the thermal relaxation and magnetic field on generalized micropolar thermoelasticity

The model of generalized micropolar magneto-thermoelasticity for a thermally and perfectly conducting half-space is studied. The initial magnetic field is parallel to the boundary of the half-space. The formulation is applied to the generalized thermo-elasticity theories of Lord and Shulman, Green and Lindsay, as well as to the coupled dynamic theory. The normal mode analysis is used to obtain expressions for the temperature increment, the displacement, and the stress components of the model at the interface. By using potential functions, the governing equations are reduced to two fourth-order differential equations. By numerical calculation, the variation of the considered variables is given and illustrated graphically for a magnesium crystal micropolar elastic material. Comparisons are performed with the results predicted by the three theories in the presence of a magnetic field.     

Conjugated β-Cyclodextrin Enhances the Affinity of Folic Acid towards FRα: Molecular Dynamics Study

Drug targeting is a progressive area of research with folate receptor alpha (FRα) receiving significant attention as a biological marker in cancer drug delivery. The binding affinity of folic acid (FA) to the FRα active site provides a basis for recognition of FRα. In this study, FA was conjugated to beta-cyclodextrin (βCD) and subjected to in silico analysis (molecular docking and molecular dynamics (MD) simulation (100 ns)) to investigate the affinity and stability for the conjugated system compared to unconjugated and apo systems (ligand free). Docking studies revealed that the conjugated FA bound into the active site of FRα with a docking score (free binding energy < −15 kcal/mol), with a similar binding pose to that of unconjugated FA. Subsequent analyses from molecular dynamics (MD) simulations, root mean square deviation (RMSD), root mean square fluctuation (RMSF), and radius of gyration (Rg) demonstrated that FA and FA–βCDs created more dynamically stable systems with FRα than the apo-FRα system. All systems reached equilibrium with stable RMSD values ranging from 1.9–2.4 Å and the average residual fluctuation values of the FRα backbone atoms for all residues (except for terminal residues ARG8, THR9, THR214, and LEU215) were less than 2.1 Å with a consistent Rg value of around 16.8 Å throughout the MD simulation time (0–100 ns). The conjugation with βCD improved the stability and decreased the mobility of all the residues (except residues 149–151) compared to FA–FRα and apo-FRα systems. Further analysis of H-bonds, binding free energy (MM-PBSA), and per residue decomposition energy revealed that besides APS81, residues HIS20, TRP102, HIS135, TRP138, TRP140, and TRP171 were shown to have more favourable energy contributions in the holo systems than in the apo-FRα system, and these residues might have a direct role in increasing the stability of holo systems.     

2-D problem of a Mode-I crack for a generalized thermoelasticity under Green-Naghdi theory

A general model of the equations of the generalized thermoelasticity for an infinite space weakened by a finite linear opening Mode-I crack is solved. The crack is subjected to prescribed temperature and stress distribution in the context of Green-Naghdi theory. The normal mode analysis is used to obtain the exact expressions for the displacement components, the force stresses, the temperature and the couple stresses. Comparisons are made with the results predicted in the both type II, III of Green-Naghdi theory. It is found that a Mode-I crack has great effects on the distribution of field quantities with energy dissipation.     

Thermoelastic plane waves for an elastic solid half-space under hydrostatic initial stress of type III

In this paper, we constructed the equations of generalized thermoelastic isotropic and homogeneous half-space under hydrostatic initial stress in the context of the Green and Naghdi (GN) theory of types II and III. Normal mode analysis is used to obtain the exact expressions of temperature, displacement and stress. Comparisons are made with the results predicted by GN theory of types II and III in the presence and absence of the hydrostatic initial stress. The temperature, displacement and stress distributions are represented graphically.     

Wall slip and melt fracture of poly(lactides)

The wall slip and melt fracture behaviour of several commercial polylactides (PLAs) as well as their rheological properties under shear and extensional have been investigated. The PLAs have had weight-average molecular weights in the range of 10⁴–10⁵ g/mol and studied in the temperature range of 160–200°C. The solution properties and linear viscoelastic behaviour of melts indicate linear microstructure behaviour. PLAs with molecular weights greater than a certain value were found to slip, with the slip velocity to increase with decrease of molecular weight. The capillary data were found to agree well with linear viscoelastic envelope once correction for slip effects was applied. The onset of melt fracture for the high molecular weight PLAs was found to occur at about 0.2 to 0.3 MPa, depending on the geometrical characteristics of the dies and independent of temperature. Addition of 0.5 wt.% of a polycaprolactone (PCL) into the PLA that exhibits melt fracture was found to be effective in eliminating and delaying the onset of melt fracture to higher shear rates. This is due to significant interfacial slip that occurs in the presence of PCL.     

Control and adaptive modified function projective synchronization of Liu chaotic dynamical system

In this work, the feedback control method is proposed to control the behaviour of Liu chaotic dynamical system. The controlled system is stable under some conditions on the parameters of the system determined by Routh-Hurwitz criterion. This paper also presents the adaptive modified function projective synchronization (AMFPS) between two identical Liu chaotic dynamical systems. Based on the Lyapunov stability theorem, adaptive control laws are designed to achieving the AMFPS. Finally, some numerical simulations are obtained to validate the proposed methods.     

Effect of the gravity on the photothermal waves in a semiconducting medium with an internal heat source and one relaxation time

The purpose of the present paper is to study the gravitational effect in a homogeneous isotropic semiconducting medium subjected to an internal heat source, based on Lord–Shulman theory. The problem is formulated in the dimensionless form and then solved analytically using the normal mode analysis method. The physical quantities are obtained and tested by a numerical study using the parameters of silicon as a target and presented graphically. The distribution of these quantities is represented graphically in the presence and absence of the internal heat source as well as gravity.     

The Interaction of a N-Type Four Level Atom with the Electromagnetic Field for a Kerr Medium Induced Intensity-Dependent Coupling

The interaction of a N-type four-level atom with a single field in the presence of an intensity-dependent coupling in a nonlinear Kerr medium is investigated. The exact analytic solution is obtained in the case that the atom and electromagnetic field are initially in a higher excited state and a coherent state, respectively. It is then demonstrated that effects such as nonclassical light generation, degree of entanglement stabilization, Kerr medium nonclassical control, and squeezed light are can be more efficiently implemented within this four-level framework than in many competing procedures. Additionally, inversion, linear entropy, Mandel Q-parameter and normal squeezing dynamics are examined.     

Intensity modulated silver coated glass optical fiber refractive index sensor

Miniature optical fiber sensors with thin films as sensitive elements could open new fields for optical fiber sensor applications. Thin films work as sensitive elements and a transducer to get response and feedback from environments, in which optical fibers act as a signal carrier. A novel Ag coated intensity modulated optical fiber sensor based on refractive index changes using IR and UV-Vis(UV-visible) light sources is proposed. The sensor with an IR light source has higher sensitivity compared to a UV-Vis source. When the refractive index is enhanced to 1.38, the normalized intensity of IR and UV-Vis light diminishes to 0.2 and 0.8, respectively.