Synthesis,molecular modeling,TD-DFT,antimicrobial, and in vitro therapeutic activity of new spherical nano-sized sulfonamide imine ligands and their zinc (II) and copper (II) complexes

A series of nanometer-sized spherical sulfonamide imine ligands HL ¹ -HL ⁵ and their copper and zinc complexes were synthesized and fully characterized based on elemental analyses, spectroscopic (UV/vis, FT-IR, NMR, EPR, SEM) studies, molar conductance and thermal analyses. Furthermore, computational studies of HL ¹ -HL ⁵ were carried out by the DFT/B3LYP method. TD-DFT, HOMO and LUMO energy values, chemical hardness, electronegativity, electrophilic index, softness, and other parameters were calculated. Screening against several pathogenic microorganisms indicated that HL ¹ exhibited high activity against the tested Gram-negative bacteria relative to other analogues and the inhibition activity is greater than the standard Gentamicin. Analogously, HL ² exhibited high potent activity against the tested Gram-positive bacteria. Copper complexes exhibited a higher potent activity than zinc analogues. Noteworthy, inhibition activity of [Cu ( L ³ )(OAc)] complex is higher than that of the standard Ampicillin. [Cu ( L ² )(OAc)] complex displayed a similar activity of the standard bactericides and fungicides in use. The complexes showed appreciated values of MIC against bacterial strains: B. subtilis (MIC = 0.4 μg / mL), E. coli and S. pneumonia (MIC = 1.95 μg / mL) and P. aeruginosa (MIC = 7.81 μg / mL). in vitro cytotoxic activities study proved that [Cu ( L ³ )(OAc)] complex exhibited appreciable activity versus (HEPG-2); IC₅₀ = 4.8 μg/ml, while [Cu( L ² )(OAc)] complex showed a high activity against (MCF-7); IC₅₀ = 6.2 μg/ml. These results could be considered as new findings of promising antitumor candidates for experimental chemotherapy.     

Modeling of the mode dynamics generated by Madison Symmetric Torus machine utilizing a modified sine-Gordon equation

In this paper, a new dynamic model is presented for the experimental data generated by the Madison Symmetric Torus (MST) machine. The model is based on a modified sine-Gordon (SG) dynamic equation. The modified sine-Gordon equation model effectively captures the behavior of the slinky mode in reversed-field pinch experiments. In addition, this paper demonstrates how the derived model accurately describes the behavior of the localized magnetohydrodynamic mode (slinky mode) that appears in reversed-field pinch toroidal magnetic confinement systems. The modified SG equation model is solved analytically by using the perturbation method. The resulting model is fit to match a variety of experimental results in the MST reversed-field pinch experiment. The efficacy of the newly developed model in effectively representing the slinky mode is verified by comparing obtained analytical solution to experimentally measured data.     

CP-Violation in Oscillations of Three Neutrino Generations: the Case of Degenerate Masses

Physics of Atomic Nuclei - CP-symmetry violates in oscillations of neutrinos in vacuum in presence of three generations. In this case there is an inherent complex phase in PMNS-matrix. When any two...     

Structural Study of Membrane Glycoprotein-Precursor of β-Amyloid and Proteins Involved in Its Proteolysis

Crystallography Reports - Alzheimer’s disease is the most widespread form of neurodegenerative disease in the world. Its clinical manifestations are explained by selective degeneration of...     

About Global Solvability of a Multidimensional Inverse Problem for an Equation with Memory

Siberian Mathematical Journal - Under study is the multidimensional inverse problem of determining the convolutional kernel of the integral term in an integro-differential wave equation....     

Control Problem for a Piecewise Linear System with Uncertainties Based on Measurement Results

Differential Equations - We consider the problem of control of a piecewise linear system on a finite time horizon under uncertainty on the basis of incomplete and inaccurate information. A scheme...     

Strategies in boosting photosensitization for biomedical applications

Science China Chemistry -     

Modeling of Colloidal Crystallization of Cadmium Selenide

Colloid Journal - This article is devoted to the Monte Carlo simulation of the colloidal crystallization kinetics of cadmium selenide (CdSe) nanoparticles (NPs), i.e., the growth of nanoparticles...