Application of Discrete Wavelet Transform in the Analysis of Nonlinear Chemical System

Oscillations of species concentration are phenomena accompanying several types of electrochemical and purely chemical processes. Importance of analyzing of such processes results from both scientific and practical reasons. In the paper the authors deal with investigation of time dependent spectra of various stages of Belousov-Zhabotinsky type chemical oscillations. As the analytical tool the discrete wavelet transform is proposed.     

Low-Molecular Pyrazine-Based DNA Binders: Physicochemical and Antimicrobial Properties

Pyrazine and its derivatives are a large group of compounds that exhibit broad biological activity, the changes of which can be easily detected by a substituent effect or a change in the functional group. The present studies combined theoretical research with the density functional theory (DFT) approach (B3LYP/6-311+G**) and experimental (potentiometric and spectrophotometric) analysis for a thorough understanding of the structure of chlorohydrazinopyrazine, its physicochemical and cytotoxic properties, and the site and nature of interaction with DNA. The obtained results indicated that 2-chloro-3-hydrazinopyrazine (2Cl3HP) displayed the highest affinity to DNA. Cytotoxicity studies revealed that the compound did not exhibit toxicity toward human dermal keratinocytes, which supported the potential application of 2Cl3HP in clinical use. The study also attempted to establish the possible equilibria occurring in the aqueous solution and, using both theoretical and experimental methods, clearly showed the hydrophilic nature of the compound. The experimental and theoretical results of the study confirmed the quality of the compound, as well as the appropriateness of the selected set of methods for similar research.     

Revisiting the Chemistry of Vinylpyrazoles: Properties,Synthesis, and Reactivity

Vinylpyrazoles, also known as pyrazolyl olefins, are interesting motifs in organic chemistry but have been overlooked. This review describes the properties and synthetic routes of vinylpyrazoles and highlights their versatility as building blocks for the construction of more complex organic molecules. Concerning the reactivity of vinylpyrazoles, the topics surveyed herein include their use in cycloaddition reactions, free-radical polymerizations, halogenation and hydrohalogenation reactions, and more recently in transition-metal-catalyzed reactions, among other transformations. The current state of the art about vinylpyrazoles is presented with an eye to future developments regarding the chemistry of these interesting compounds. Styrylpyrazoles were not considered in this review, as they were the subject of a previous review article published in 2020.     

A New Supramolecular Tetraruthenated Cobalt (II) Porphyrazine Displaying Outstanding Electrocatalytical Performance in Oxygen Evolution Reaction

A new supramolecular electrocatalyst for Oxygen Evolution Reaction (OER) was synthesized from a central multibridging cobalt tetrapyridylporphyrazine (CoTPyPz) species by attaching four [Ru(bpy)₂Cl]⁺ groups. Both CoTPyPz and the tetraruthenated cobalt porphyrazine species, TRuCoTPyPz, form very homogenous molecular films just by dropcasting their methanol solutions onto GCE electrodes. Such films exhibited low overpotentials for O₂ evolution, e.g., 560 e 340 mV, respectively, displaying high stability, typically exceeding 15 h. The kinetic parameters obtained from the Tafel plots showed that the peripheral complexes are very important for the electrocatalytic activity. Hyperspectral Raman images taken along the electrochemical process demonstrated that the cobalt center is the primary active catalyst site, but its performance is enhanced by the ruthenium complexes, which act as electron-donating groups, in the supramolecular system.     

Fission fragment mass yields of Th to Rf even-even nuclei

Fission properties of the actinide nuclei are deduced from theoretical analysis. We investigate potential energy surfaces and fission barriers and predict the fission fragment mass yields of actinide isotopes. The results are compared with experimental data where available. The calculations were performed in the macroscopic-microscopic approximation with the Lublin-Strasbourg Drop (LSD) for the macroscopic part, and the microscopic energy corrections were evaluated in the Yukawa-folded potential. The Fourier nuclear shape parametrization is used to describe the nuclear shape, including the non-axial degree of freedom. The fission fragment mass yields of the nuclei considered are evaluated within a 3D collective model using the Born-Oppenheimer approximation.     

Geometric phase induced by a cyclically evolving squeezed vacuum reservoir

We propose a new way to generate an observable geometric phase by means of a completely incoherent phenomenon. We show how to imprint a geometric phase to a system by adiabatically manipulating the environment with which it interacts. As a specific scheme, we analyze a multilevel atom interacting with a broadband squeezed vacuum bosonic bath. As the squeezing parameters are smoothly changed in time along a closed loop, the ground state of the system acquires a geometric phase. We also propose a scheme to measure such a geometric phase by means of a suitable polarization detection.     

Fragrance release profile from sonochemically prepared protein microsphere containers

Protein microspheres have been prepared by sonicating a mixture of pure fragrant oil (amyl acetate (AA)) with an aqueous protein (bovine serum albumin) solution. The prepared protein spheres are nano- to micrometer sized with an encapsulation efficiency of approx. 97% for the AA present on the surface and inside the BSA capsule. Containers were found stable for more than 6 months when stored sealed at 4 °C and 20 °C. For the release profile measurements, we used a simple, automated and direct method. We continuously weighed the encapsulated microspheres and measured the evaporation rates. The release profiles at 15 °C and 25 °C display two different evaporation rates. The higher rate is the sum of a few evaporation rates, including water molecules, while the slower rate is due to the evaporation of pure AA. The changes in the evaporation rates occur upon the collapse of the container. This event coincides with the full evaporation of water. For morphological characterization we dyed the AA with Nile red, and used SEM, ESEM, Cryo-SEM, light microscopy, and confocal laser scanning microscopy measurements.     

Indeterministic Objects in the Category of Effect Algebras and the Passage to the Semiclassical Limit

We consider a category of effect algebras and formulate an abstract-hidden variables problem for an object of this category. A notion of indeterministic object is introduced as of an object which induces a Kochen–Specker-type contradiction. A sufficient condition for an object to be indeterministic is derived. An abstract algebraic point of view on a no-hidden variables example constructed by Mermin is given. The notion of a passage to the semiclassical limit is analyzed and refined.     

Generalized Stäckel systems

We consider the generalized Stäckel systems, the broadest class of integrable Hamiltonian systems that admit separation of variables and possess separation relations affine in the Hamiltonians. For these systems we construct in a systematic fashion hierarchies of basic separable potentials. Moreover, we show how the equations of motion for the systems under study are related through appropriately chosen reciprocal transformations and how the respective constants of motion are related through generalized Stäckel transforms.