Physical,Thermal and Biological Properties of Yellow Dyes with Two Azodiphenylether Groups of Anthracene

Two yellow bis-azo dyes containing anthracene and two azodiphenylether groups (BPA and BTA) were prepared, and an extensive investigation of their physical, thermal and biological properties was carried out. The chemical structure was confirmed by the FTIR spectra, while from the UV–Vis spectra, the quantum efficiency of the laser fluorescence at the 476.5 nm was determined to be 0.33 (BPA) and 0.50 (BTA). The possible transitions between the energy levels of the electrons of the chemical elements were established, identifying the energies and the electronic configurations of the levels of transition. Both crystals are anisotropic, the optical phenomenon of double refraction of polarized light (birefringence) taking place. Images of maximum illumination and extinction were recorded when the crystals of the bis-azo compounds rotated by 90° each, which confirms their birefringence. A morphologic study of the thin films deposited onto glass surfaces was performed, proving the good adhesion of both dyes. By thermal analysis and calorimetry, the melting temperatures were determined (~224–225 °C for both of them), as well as their decomposition pathways and thermal effects (enthalpy variations during undergoing processes); thus, good thermal stability was exhibited. The interaction of the two compounds with collagen in the suede was studied, as well as their antioxidant activity, advocating for good chemical stability and potential to be safely used as coloring agents in the food industry.     

Quinazoline Derivatives Designed as Efflux Pump Inhibitors: Molecular Modeling and Spectroscopic Studies

Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 and BG1190, proposed as EPIs. In silico approach investigates the pharmacodynamic and pharmacokinetic profile of BG1189 and BG1190 quinazolines. Molecular docking and predicted ADMET features suggest that BG1189 and BG1190 may represent attractive candidates as antimicrobial drugs. UV-Vis absorption spectroscopy was employed to study the time stability of quinazoline solutions in water or in dimethyl sulfoxide (DMSO), in constant environmental conditions, and to determine the influence of usual storage temperature, normal room lighting and laser radiation (photostability) on samples stability. The effects of irradiation on BG1189 and BG1190 molecules were also assessed through Fourier-transform infrared (FTIR) spectroscopy. FTIR spectra showed that laser radiation breaks some chemical bonds affecting the substituents and the quinazoline radical of the compounds.     

Properties and applications of $$P_n$$-simple functionals

In this paper some representations of a linear positive functional are established. These results are extended for linear positive operators \(L_n:C[a,b] \rightarrow C[a,b]\). Also, approximation properties of linear positive operators, expressed in terms of moduli of smoothness, are considered. In the last section, the remainder term in various approximation processes is studied.     

Metal-Free Arylation of Benzothiophenes at C4 by Activation as their Benzothiophene S-Oxides

Benzothiophenes, activated by oxidation to the corresponding S-oxides, undergo C−H/C−H-type coupling with phenols to give C4 arylation products. While an electron-withdrawing group at C3 of the benzothiophene is important, the process operates without a directing group and a metal catalyst, thus rendering it compatible with sensitive functionalities—e.g. halides and formyl groups. Quantum chemical calculations suggest a formal stepwise mechanism involving heterolytic cleavage of an aryloxysulfur species to give a π-complex of the corresponding benzothiophene and a phenoxonium cation. Subsequent addition of the phenoxonium cation to the C4 position of the benzothiophene is favored over the addition to C3; Fukui functions predict that the major regioisomer is formed at the more electron-rich position between C3 and C4. Varied selective manipulation of the benzothiophene products showcase the synthetic utility of the metal-free arylation process.     

Sodium‐Naphthalenide‐Driven Synthesis of Base‐Metal Nanoparticles and Follow‐up Reactions

Mo⁰, W⁰, Fe⁰, Ru⁰, Re⁰, and Zn⁰ nanoparticles—essentially base metals—are prepared as a general strategy by a sodium naphthalenide ([NaNaph])‐driven reduction of simple metal chlorides in ethers (1,2‐dimethoxyethane (DME), tetrahydrofuran (THF)). All the nanoparticles have diameters ≤10 nm, and they can be obtained either as powder samples or long‐term stable suspensions. Direct follow‐up reactions (e.g., Mo⁰+S₈, FeCl₃+AsCl₃, ReCl₅+MoCl₅), moreover, allow the preparation of MoS₂, FeAs₂, or Re₄Mo nanoparticles of similar size as the pristine metals (≤10 nm).     

Deteriorated Geometrical Stiffness for Higher Order Finite Elements with Application to Panel Flutter

Higher order elements were first design for linear problems where, in certain situations, they present advantages over the lower order elements. A method to efficiently extend their use to geometrical nonlinear problems as panel flutter and postbuckling behavior is presented. The chaotic and limit-cycle oscillations of an isotropic plate are obtained based on direct integration of the discretized equation of motion. The plate is modeled using the von Karman theory and the geometrical nonlinearities are separated in a nonlinear term of the first kind which manifests especially in the prebuckling and buckling regimes, and a nonlinear term of the second kind which is responsible for the postbuckling behavior. A fifth order, fully compatible element has been used to model thin plates while the inplane loads where introduced through a membrane element. The aerodynamics was modeled using the first order 'piston theory. The method introduces the concept of a deteriorated form of the second geometric matrix which is equivalent to neglecting higher order terms in the strain energy of the plate. This allows for a drastic reduction in the computational effort with no observable loss of accuracy. Well established results in the literature are used to validate the method.     

Exploiting the Massey Gap

In this paper, we find new refinements to the Massey inequality, which relates the Shannon and guessing entropies, introducing a new concept: the Massey gap. By shrinking the Massey gap, we improve all previous work without introducing any new parameters, providing closed-form strict refinements, as well as a numerical procedure improving them even further.     

Topological Classification and Structural Stability of Strongly Continuous Groups

The present paper is devoted to the study of some qualitative properties of C ₀-groups via topological equivalence, also called conjugacy. The special case of the evolution groups is analysed. We show that hyperbolicity implies structural stability. Our constructions improve existing similar results for groups with bounded generators, and apply to linear differential equations with unbounded coefficient operator.     

Ground-based complex for checking the optical system

The purpose TUS space experiment is to study cosmic rays of ultrahigh energies produced by extensive air showers from space. The concentrator is located on satellite, made in the form of the Fresnel mirror towards the earth’s atmosphere, the focus of which is a photodetector. The angle of view of the mirror is ±4.5° that for a given height of the orbit corresponds to the area 80 × 80 km² on ground. The ground complex consisting of a number of stations, to check the optical system of the experiment is created, (their location and the amount will be determined after the launch of the satellite based on its actual orbit).