Head-to-head bisbenzazole derivatives as antiproliferative agents: design,synthesis, in vitro activity,and SAR analysis

Molecular Diversity - In the present work, a series of bisbenzazole derivatives were designed and synthesized as antiproliferative agents. The antiproliferative activity of these compounds was...     

Solitons and Other Solutions for the Nonlinear Convection–Diffusion–Reaction Equation with Power-Law Nonlinearity by the Extended Simplest Equation Method

Computational Mathematics and Modeling - Based on the extended simplest equation method, we construct solitons and other solutions for the nonlinear convection-diffusion-reaction equation with...     

Utility of Silver-nanoparticles for Nano-fluorimetric Determination of Vancomycin Hydrochloride in Pharmaceutical Formulation and Biological Fluids: Greenness Assessment

Journal of Fluorescence - Vancomycin hydrochloride (VANH) is a glycopeptide antibiotic commonly employed in the prophylaxis and therapy of various gram-positive bacterial life-threatening...     

Simulating the dynamic behavior of planetary gearbox based on improved Hanning function

Planetary gearboxes are widely used in industrial machines. They usually work in harsh environments giving rise to damages and high maintenance costs. Condition monitoring is a key action allowing one to detect the presence of such damage ensuring healthy running conditions. The knowledge of the dynamic behavior of such a gearbox can be achieved using modeling tools as a primary step before conditioning the monitoring subject. In addition, modeling a gear set can help in the stage of design in order to optimize physical and geometric parameters of the system. Therefore, in this work, a two-dimensional lumped parameter model is adopted to build all vibration sources. The time-varying mesh stiffness is approximated as a square wave form. A novel mathematical formulation is proposed to model the amplitude modulation phenomenon due to the rotational motion of the planets around the center of the gearbox. Finally, the overall vibration signal is concluded as a summation of all vibration components influenced by the modulation function.     

Nonexistence of nontrivial global solutions for nonlocal in time differential inequalities

In this paper, some nonlocal in time differential inequalities of Sobolev type are considered. Using the nonlinear capacity method, sufficient conditions for the nonexistence of nontrivial global classical solutions are provided.     

Theoretical and experimental investigations of complexation with BF3.Et2O effects on electronic structures,energies and photophysical properties of Anil and tetraphenyl (hydroxyl) imidazol

The novel compounds (E)‐2‐(((4‐hydroxyphenyl)imino)methyl)phenol, Tetraphenyl (hydroxyl) imidazole and their corresponding Boron difluoride complexes were synthesized and characterized by spectroscopic techniques. Density functional theory calculations at B3LYP‐D3/6–311++G (d, p) level of theory were performed for the geometric parameters. The MEP surface studies were used to understand the behavior of molecules in terms of charge transfer and to determine how these molecules interact. We used the GIAO and the B3LYP‐D3 with a 6–311++ G (d, p) basis set to simulate the (¹H‐NMR and ¹⁹F‐NMR) and the IR spectra, respectively. The corresponding calculated results are in good agreement with the experimental data. The stability of the molecule arising from hyperconjugation interaction and charge delocalization were analyzed using NBO analysis. FMOs revealed the occurrence of charge transfer within the molecule. The complexation using BF₃.Et₂O was also found to have remarkable effects on the electrochemical properties of the studied molecules, where (b) and (d) present lower chemical stability, higher reactivity and higher polarizability than (a) and (c), respectively. Moreover, the energy gap of (a) and (c) decreased after complexation using BF₃.Et₂O, indicating the reliability of the electrochemical evaluation of LUMO and HOMO energy levels. These values are the factors explaining the possible charge transfer interaction within the molecule. The absorption and emission spectra of the model compound were also simulated and compared to experimental observations in the DMF solvent. The results of DFT calculations supported the structural and spectroscopic data and confirmed the structure modification of frontier molecular orbitals for BF₂ complexes as well as tunable potentials and energy levels.     

The gross beta activity of surface sediment in different urban landscape areas

Journal of Radioanalytical and Nuclear Chemistry - A castable polyurethane (PUR) with soft segment made by polytetrahydrofuran polyol (or polytretramethylene ether glycol?=?PTMEG)...     

MXene-based composite electrodes for efficient electrochemical sensing of glucose by non-enzymatic method

A recently discovered 2D transition titanium metal carbides also called as MXenes (Ti₃C₂T_x)-based nanocomposite was prepared with Cu₂O through wet precipitation technique, and these materials were further developed as the electrode for sensing glucose by chronoamperometry technique. The prepared MXene-Cu₂O (Ti₃C₂T_x-Cu₂O) nanocomposite was characterized by XRD, FTIR, UV–Vis spectroscopy, FE-SEM, EDAX, and Raman spectroscopy. Morphological studies of the composites revealed that the micro-octahedral shape of Cu₂O is distributed on the surface of MXene with size larger than bare Cu₂O. Further, the prepared composite material was fabricated as a sensing probe, and the electrochemical activities were examined by cyclic voltammetric analysis (CV) and chronoamperometric (CA) methods. From the CV and CA investigation, the current response was higher for the composite than the bare material (Cu₂O & MXene) in the presence of glucose. The amperometric investigation of MXene-Cu₂O composite for the detection of glucose shows a broad linear range (0.01–30 mM) with a sensitivity of 11.061/μAmM cm^?2 and a detection limit of 2.83 μM. Further, the fabricated sensor exhibits good selectivity with interfering species like NaCl, fructose, sucrose, urea, ascorbic acid, lactose, short response time, stability, good reproducibility, and compatibility with human serum sample. From the investigation, the prepared MXene-Cu₂O composite is a good candidate for the direct detection of glucose molecules and is also well suitable for clinical diagnosis.     

Baclofen impurities: Facile synthesis and novel environmentally benign chromatographic method for their simultaneous determination in baclofen

An efficient, economic and high yielding method was described for the synthesis of baclofen (BAC) pharmacopoeial impurities (impurity A and impurity B) which can be used for gram‐scale synthesis. Furthermore, a novel ecofriendly thin‐layer chromatographic TLC–densitometric method was established and validated for the determination of BAC and its synthesized impurities. The developed TLC–densitometric method is based on the chromatographic separation using TLC plates (60 F₂₅₄) using a green mobile phase of ethyl acetate–methanol–ammonia solution, 33% (8:2:0.1, by volume) with UV scanning at 220 nm. The proposed method was validated with respect to International Conference on Harmonization guidelines. The validated method was successfully applied for determination of BAC in pure form and in its commercial dosage form. Additionally, the greenness profile of the developed method was evaluated and compared with those of the reported chromatographic methods. The developed method was found to be superior to the published methods, being environmentally benign.