Synthesis and Crystal Structure of Fluoride K2(Ta0.9I0.1)F7 with the Micro-Isomorphic Substitution in the Ta Cationic Position

Crystallography Reports - Fluoride crystals K2(Ta0.9I0.1)F7 (sp. gr. Р21/c) complementary to the K2TaF7 and K2NbF7 fluoride family have been obtained by hydrothermal synthesis. Their...     

Stability of the Boundary Layer with Internal Heat Release and Gas Injection through a Porous Wall

Fluid Dynamics - The problem of stability of a subsonic boundary layer is solved under the conditions of heat supply inside the boundary layer with injection of a homogeneous gas through a porous...     

Complex dynamics investigations of a mixed Bertrand duopoly game: synchronization and global analysis

Nonlinear Dynamics - In this paper, an economic competition between two firms that want to maximize the weighted-average social welfare and own profits is proposed. This kind of competition is...     

INVESTIGATION OF THE RHEOLOGICAL PROPERTIES OF ROCKS IN EXPERIMENTS ON STEPWISE LOADING OF CYLINDRICAL SAMPLES

Journal of Applied Mechanics and Technical Physics - A method for determining the empirical dependence of the rheological properties of rocks on stresses has been developed and tested in...     

Solvent Influence on Absorption Spectra and Tautomeric Equilibria of Symmetric Azomethine-Functionalized Derivatives: Structural Elucidation and Computational Studies

A new series of azomethine-functionalized compounds was synthesized from the condensation of 2-hydroxy-1,3-propanediamine and 2-thienylcarboxaldehydes in the presence of a drying agent. The derivatives were spectroscopically characterized by NMR, LC-MS, UV/Vis, IR and elemental analysis. Variable temperature ¹H-NMR (−60 to +60 °C) was performed to investigate the effect of solvent polarity; the capability of solvent to form H-bond was found to dramatically influencing the tautomerization process of the desired structures. The calculated thermochemical parameters (ΔH₂₉₈, ΔG₂₉₈ and ΔS₂₉₈) at DFT and MP2 levels of theory explained that 3 b exists in equilibrium with two tautomers. The basis of the electronic absorptions was pursued through Time-Dependent Density-Functional Theory (TD-DFT). Analysis of the structural surfaces was inspected and the molecular electrostatic potential (MEP) demonstrated that the three functionalized compounds were relatively analogous in the electronic distributions. Furthermore, the electrophilic and nucleophilic centers lying on the molecular surfaces were probably playing a key-role in stabilizing the compounds through the nonclassical C−H⋅⋅⋅π interactions and hydrogen bonding. The impact of solvent polarity on absorption spectra were investigated via solvatochromic shifts. For instance, compound 3 c displayed a gradual shift of the maximum absorption to the red area when the solvent polarity was increased, recording a 21 nm of bathochromic shift. In contrast, no significant solvent-effect on 3 a and 3 b was observed. The solvation relation was pursued between Gutmann's donicity numbers the experimental λ_max; exhibited almost positive linear performance with a minor oscillation, that ascribe to the possible weak interface between the molecules of solute and designated solvents. The bandgap energy of all products were assessed experimentally using optical absorption spectra following Tauc approach, giving −4.050 ( 3 a ), −3.900 ( 3 b ) and −3.210 ( 3 c ) eV. However, the ΔE were computationally figured out from TD-DFT simulation to be −4.258 ( 3 a ), −4.022 ( 3 b ) and −3.390 ( 3 c ) eV.     

TXRF spectrometry in the bioanalytical sciences: A brief review

This work describes the basic principles of Total-reflection X-Ray Fluorescence (TXRF) spectrometry and some of its most outstanding applications for investigating metal traces, mainly in biological and biomedical samples. TXRF is an analytical technique that combines the versatility of elemental analysis by X-ray energy dispersion with a low detection limit in the order of picograms of absolute mass or a few ppb (μg L⁻¹) as concentration. The microanalytical capacity of TXRF allows the study of small sample quantities. The TXRF can perform qualitative and mass ratio analyses of the elements present in a sample of only a few hundred nanograms. These properties are of great importance in the research of metal traces in biological systems, as they allow fast, precise, and accurate characterisation of the elemental fingerprint at trace level. Its successful application in studies of the coordination kinetics of new platinum-based antitumor drugs with DNA, its application in the study profile of the metal in healthy and cancerous human tissues, or even its application in the study of the processes of metal diffusion through cell membranes are just a few examples of TXRF capabilities in the biomedical sciences. This brief review's main objective is to provide an overview of the physical principles and possibilities of TXRF spectrometry. It also highlights some of the most outstanding applications that have been developed so far, mainly in the biological field, so that the reader can evaluate their potential applications.     

Effect of High Pressures on the Formation of New Compounds in the Al86Ni2Co6Gd6 Alloy

Physics of the Solid State - Using the X-ray diffraction and electron microscopy methods, the structure and the elemental and phase compositions of hypereutectic alloy Al86Ni2Co6Gd6 (hereinafter,...     

Alpha-gamma decay studies of $$^{247}$$ Md

The European Physical Journal A - The goal of the present paper is twofold. First, a novel expansion many-body method applicable to superfluid open-shell nuclei, the so-called Bogoliubov in-medium...     

Determination of Vardenafil in Pure and Dosage Forms by Spectrophotometry

Journal of Applied Spectroscopy - Three simple, sensitive, precise, and rapid spectrophotometric methods are developed and optimized for the assay of vardenafil in pharmaceutical formulations. The...     

Determination of Polycyclic Aromatic Hydrocarbons in Soils and Bottom Sediments by Gas Chromatography–Mass Spectrometry with QuEChERS Sample Preparation

Journal of Analytical Chemistry - The work is dedicated to the determination of polyaromatic hydrocarbons (PAHs) in soils and bottom sediments by gas chromatography–mass spectrometry using...